smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([N-]N1CCOC1=O)c1cnn(CC2CCCC2)c1 ZINC000869406737 1165060891 /nfs/dbraw/zinc/06/08/91/1165060891.db2.gz YQVRAQISZIDGFB-UHFFFAOYSA-N -1 3 278.312 1.170 10 0 CDAEHM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1cnncc1[O-] ZINC001620689220 1165667779 /nfs/dbraw/zinc/66/77/79/1165667779.db2.gz KATJEWVMNNOORX-DZGCQCFKSA-N -1 3 269.304 1.642 10 0 CDAEHM CC(C)C[C@@H](CNC(=O)C(=O)c1ccc([O-])cc1)N(C)C ZINC001628238509 1166054710 /nfs/dbraw/zinc/05/47/10/1166054710.db2.gz FMBCMUAPJSRHEM-ZDUSSCGKSA-N -1 3 292.379 1.667 10 0 CDAEHM Cc1cccc([O-])c1C(=O)NCC[C@H](O)C(C)C ZINC001633848016 1166454466 /nfs/dbraw/zinc/45/44/66/1166454466.db2.gz VXIPXSPFIPNDKK-NSHDSACASA-N -1 3 251.326 1.837 10 0 CDAEHM COC(=O)c1cnc([N-]C(=O)c2cc(OC)no2)cc1C ZINC001417588381 1167647753 /nfs/dbraw/zinc/64/77/53/1167647753.db2.gz VFJQKWXPJJYQRK-UHFFFAOYSA-N -1 3 291.263 1.426 10 0 CDAEHM CC[C@H](CC(F)F)C(=O)Nc1n[n-]c(CC(=O)OC)n1 ZINC001361917201 902941112 /nfs/dbraw/zinc/94/11/12/902941112.db2.gz KTCGFZQGOXZDTH-ZCFIWIBFSA-N -1 3 290.270 1.140 10 0 CDAEHM CN(C(=O)c1cnc[n-]c1=O)C1CN(CCCCCF)C1 ZINC001269805568 904121416 /nfs/dbraw/zinc/12/14/16/904121416.db2.gz GUUHJRRMRBTXBZ-UHFFFAOYSA-N -1 3 296.346 1.078 10 0 CDAEHM COCCN(CCF)C(=O)c1ccc(C)cc1[O-] ZINC000697035990 906892978 /nfs/dbraw/zinc/89/29/78/906892978.db2.gz AFNBZTCISKNPKA-UHFFFAOYSA-N -1 3 255.289 1.759 10 0 CDAEHM CC(C)(C)n1nnc(C(=O)[N-]c2ccc(F)nc2F)n1 ZINC000697240281 907513967 /nfs/dbraw/zinc/51/39/67/907513967.db2.gz UUZYIAATBDDEPM-UHFFFAOYSA-N -1 3 282.254 1.354 10 0 CDAEHM CC(=O)c1ncc(C(=O)[N-]c2cnsn2)s1 ZINC001128701053 922292956 /nfs/dbraw/zinc/29/29/56/922292956.db2.gz MFUALQNIEXHATA-UHFFFAOYSA-N -1 3 254.296 1.450 10 0 CDAEHM CCn1ccnc1NC(=O)c1[n-]cnc1C(F)(F)F ZINC000854947113 928328748 /nfs/dbraw/zinc/32/87/48/928328748.db2.gz GQGJBOKUMJYDCC-UHFFFAOYSA-N -1 3 273.218 1.897 10 0 CDAEHM CCn1ccnc1NC(=O)c1nc[n-]c1C(F)(F)F ZINC000854947113 928328760 /nfs/dbraw/zinc/32/87/60/928328760.db2.gz GQGJBOKUMJYDCC-UHFFFAOYSA-N -1 3 273.218 1.897 10 0 CDAEHM Cn1nnc(C(=O)[N-]c2cscc2Br)n1 ZINC001411405452 931763549 /nfs/dbraw/zinc/76/35/49/931763549.db2.gz RPCKLTGWUJDHOQ-UHFFFAOYSA-N -1 3 288.130 1.286 10 0 CDAEHM CN(C(=O)c1c[n-]c2ccccc2c1=O)c1nncs1 ZINC001296797775 931966911 /nfs/dbraw/zinc/96/69/11/931966911.db2.gz ZUWYKRRXCRSOOE-UHFFFAOYSA-N -1 3 286.316 1.656 10 0 CDAEHM CC[C@@H](C)C(=O)NCC[C@@H](NC(=O)c1cn[n-]n1)C(C)C ZINC001412295156 932365472 /nfs/dbraw/zinc/36/54/72/932365472.db2.gz GCQUOLXDUICNCK-GHMZBOCLSA-N -1 3 295.387 1.112 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001412532472 932472027 /nfs/dbraw/zinc/47/20/27/932472027.db2.gz ZPMNIIMYWHNHPE-DBIOUOCHSA-N -1 3 299.321 1.296 10 0 CDAEHM COC(=O)c1cnc(CNC(=O)c2ccccc2[O-])s1 ZINC001412615017 932560907 /nfs/dbraw/zinc/56/09/07/932560907.db2.gz DLEYUTWLJQTTSU-UHFFFAOYSA-N -1 3 292.316 1.565 10 0 CDAEHM CCc1ccc(C(=O)N[C@H]2CCC3(C2)OCCO3)c([O-])c1 ZINC001412750143 932728577 /nfs/dbraw/zinc/72/85/77/932728577.db2.gz VGLUEXPESAPNJN-LBPRGKRZSA-N -1 3 291.347 1.980 10 0 CDAEHM CCN(C[C@@H](C)C(=O)c1ccc([O-])cc1)[C@H]1CCNC1=O ZINC000930325434 933357757 /nfs/dbraw/zinc/35/77/57/933357757.db2.gz OTEPJIYVLBCDQF-RISCZKNCSA-N -1 3 290.363 1.421 10 0 CDAEHM CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OCC(F)(F)F ZINC000934902626 933998083 /nfs/dbraw/zinc/99/80/83/933998083.db2.gz YULRYFINAWDWGN-JGVFFNPUSA-N -1 3 297.273 1.964 10 0 CDAEHM O=C(N[C@@H]1Cc2cncn2C1)c1cc([O-])ccc1Cl ZINC001412990997 935148565 /nfs/dbraw/zinc/14/85/65/935148565.db2.gz XOLFYGHRVZCQII-MRVPVSSYSA-N -1 3 277.711 1.597 10 0 CDAEHM CC(C)[C@H](C)C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001123894147 936241174 /nfs/dbraw/zinc/24/11/74/936241174.db2.gz DDABOZYANMVQCE-JTQLQIEISA-N -1 3 265.361 1.273 10 0 CDAEHM CC(C)[C@H](C)C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001123894147 936241175 /nfs/dbraw/zinc/24/11/75/936241175.db2.gz DDABOZYANMVQCE-JTQLQIEISA-N -1 3 265.361 1.273 10 0 CDAEHM CCCCOCC[N-]S(=O)(=O)c1cccnc1F ZINC000401818658 940881552 /nfs/dbraw/zinc/88/15/52/940881552.db2.gz JFNUEDOEHIXSJJ-UHFFFAOYSA-N -1 3 276.333 1.316 10 0 CDAEHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1cccnc1F ZINC000401852199 940883768 /nfs/dbraw/zinc/88/37/68/940883768.db2.gz LMQMYYFLBUIJED-SECBINFHSA-N -1 3 290.360 1.296 10 0 CDAEHM O=S(=O)([N-]C1CCSCC1)c1cccnc1F ZINC000401959786 940886492 /nfs/dbraw/zinc/88/64/92/940886492.db2.gz UOQPBKQOZKHAIV-UHFFFAOYSA-N -1 3 276.358 1.395 10 0 CDAEHM COc1cccc([O-])c1C(=O)N(C)[C@@H]1CCOC1 ZINC000405236843 940976085 /nfs/dbraw/zinc/97/60/85/940976085.db2.gz TYVPHVLPADFOJL-SECBINFHSA-N -1 3 251.282 1.262 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](C)c1cccc(O)c1 ZINC001362056481 970827708 /nfs/dbraw/zinc/82/77/08/970827708.db2.gz OPKIFNIYWOFVCQ-RNCFNFMXSA-N -1 3 289.335 1.124 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](C)c1cccc(O)c1 ZINC001362056487 970827792 /nfs/dbraw/zinc/82/77/92/970827792.db2.gz OPKIFNIYWOFVCQ-ZANVPECISA-N -1 3 289.335 1.124 10 0 CDAEHM COCc1ccc(CN2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])o1 ZINC000721160333 942017259 /nfs/dbraw/zinc/01/72/59/942017259.db2.gz HQZXQJZGJVXWHC-XQQFMLRXSA-N -1 3 265.309 1.579 10 0 CDAEHM COC(=O)c1cc(C)c(C(=O)[N-]c2n[nH]c(SC)n2)o1 ZINC001362085150 970863600 /nfs/dbraw/zinc/86/36/00/970863600.db2.gz BRNALDPEPXQMIR-UHFFFAOYSA-N -1 3 296.308 1.467 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1CCC2(CC2)CC1 ZINC001362124165 970914985 /nfs/dbraw/zinc/91/49/85/970914985.db2.gz LAGKMGIFDYTJLE-GFCCVEGCSA-N -1 3 277.368 1.585 10 0 CDAEHM COC(=O)[C@H](C)SCc1nc2c(c(=O)[n-]1)COCC2 ZINC001649933445 1169512725 /nfs/dbraw/zinc/51/27/25/1169512725.db2.gz FHZBQGQWWSMZBQ-ZETCQYMHSA-N -1 3 284.337 1.050 10 0 CDAEHM CN(C)Cc1ccc(NC(=O)c2cnncc2[O-])cc1F ZINC001362339162 971168569 /nfs/dbraw/zinc/16/85/69/971168569.db2.gz SOJYJPQGMQBSES-UHFFFAOYSA-N -1 3 290.298 1.635 10 0 CDAEHM COC(=O)c1ccc(CC(=O)Nc2ncccc2[O-])cn1 ZINC001362885906 971696862 /nfs/dbraw/zinc/69/68/62/971696862.db2.gz FZHLJQFIEMTNOJ-UHFFFAOYSA-N -1 3 287.275 1.150 10 0 CDAEHM O=C(C=Cc1ccco1)N1CCCc2c(=O)[n-]cnc21 ZINC001288089050 953903428 /nfs/dbraw/zinc/90/34/28/953903428.db2.gz XKBOBALAJHJDHQ-WAYWQWQTSA-N -1 3 271.276 1.768 10 0 CDAEHM C[C@@H]1CCN(Cc2nnc(-c3ccccc3[O-])o2)C[C@H]1O ZINC001364386830 954536162 /nfs/dbraw/zinc/53/61/62/954536162.db2.gz MZNQSVXAFZCFPE-ZWNOBZJWSA-N -1 3 289.335 1.645 10 0 CDAEHM O=C(CCN1CC[C@H](F)C1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001363303314 972068970 /nfs/dbraw/zinc/06/89/70/972068970.db2.gz GOMSHYMOPFIUCG-VIFPVBQESA-N -1 3 292.314 1.641 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](F)C2)c1 ZINC001298171052 955128472 /nfs/dbraw/zinc/12/84/72/955128472.db2.gz BMOFQBTVPUDBEM-VIFPVBQESA-N -1 3 266.272 1.535 10 0 CDAEHM O=C(N[C@@H]1CCn2ccnc21)c1nnc2ccccc2c1[O-] ZINC001298299249 955167438 /nfs/dbraw/zinc/16/74/38/955167438.db2.gz WNYPYGDXDJAILH-LLVKDONJSA-N -1 3 295.302 1.407 10 0 CDAEHM CCCN(C(=O)c1ccc([O-])cn1)[C@@H]1CCN(C)C1 ZINC001299833191 955288086 /nfs/dbraw/zinc/28/80/86/955288086.db2.gz NVURNQNPISKYSS-LLVKDONJSA-N -1 3 263.341 1.344 10 0 CDAEHM Cc1ccc(CN[C@H](C(=O)[O-])[C@@H]2CCCO2)c(F)c1 ZINC001329244175 955773822 /nfs/dbraw/zinc/77/38/22/955773822.db2.gz YQTPXOMXWMORHK-STQMWFEESA-N -1 3 267.300 1.856 10 0 CDAEHM Fc1cc(Cl)ccc1CN1CC[C@H](c2nnn[n-]2)C1 ZINC001422173799 955812125 /nfs/dbraw/zinc/81/21/25/955812125.db2.gz FHJGGEPGNUWWRO-VIFPVBQESA-N -1 3 281.722 1.982 10 0 CDAEHM Fc1cc(Cl)ccc1CN1CC[C@H](c2nn[n-]n2)C1 ZINC001422173799 955812135 /nfs/dbraw/zinc/81/21/35/955812135.db2.gz FHJGGEPGNUWWRO-VIFPVBQESA-N -1 3 281.722 1.982 10 0 CDAEHM O=C([O-])C1=CC[C@H](NCc2cc3n(n2)CCCC3)C1 ZINC001331925737 957341762 /nfs/dbraw/zinc/34/17/62/957341762.db2.gz ZEQHHSMSYWHZLV-NSHDSACASA-N -1 3 261.325 1.482 10 0 CDAEHM CCn1ncc(CN[C@@H]2CC[C@@H](C(=O)[O-])[C@H](C)C2)n1 ZINC001332438532 957566007 /nfs/dbraw/zinc/56/60/07/957566007.db2.gz SDLDXTHMZDTNDN-CKYFFXLPSA-N -1 3 266.345 1.277 10 0 CDAEHM CC[C@](C)(CC(=O)[O-])NCc1ncnn1C(C)C ZINC001334016565 958764520 /nfs/dbraw/zinc/76/45/20/958764520.db2.gz OLCRYYUYPVDFNP-GFCCVEGCSA-N -1 3 254.334 1.592 10 0 CDAEHM CN(C)C(=O)/C=C/C(=O)Nc1cccc([O-])c1F ZINC001545835842 959002838 /nfs/dbraw/zinc/00/28/38/959002838.db2.gz QDZRGSFXTLAJRF-VOTSOKGWSA-N -1 3 252.245 1.114 10 0 CDAEHM Cc1cnc(CN[C@@H]2C[C@H](C(=O)[O-])CC[C@@H]2C)o1 ZINC001334840421 959399252 /nfs/dbraw/zinc/39/92/52/959399252.db2.gz ANSKCOVVXITWOP-JMJZKYOTSA-N -1 3 252.314 1.962 10 0 CDAEHM O=C(c1cncc([O-])c1)N1CCN[C@@H](Cc2ccccc2)C1 ZINC001434272920 961127235 /nfs/dbraw/zinc/12/72/35/961127235.db2.gz FMOVWVOKYKBOLJ-HNNXBMFYSA-N -1 3 297.358 1.444 10 0 CDAEHM C[C@@H](NC(=O)c1cccnc1)c1nc(C(F)(F)F)n[n-]1 ZINC001434392164 961286769 /nfs/dbraw/zinc/28/67/69/961286769.db2.gz IMXJNTFTTXGNMZ-ZCFIWIBFSA-N -1 3 285.229 1.710 10 0 CDAEHM COC(=O)CC1(CNC(=O)c2cnncc2[O-])CCCC1 ZINC001434404081 961307289 /nfs/dbraw/zinc/30/72/89/961307289.db2.gz DNHRSEDLINDNAK-UHFFFAOYSA-N -1 3 293.323 1.036 10 0 CDAEHM CSCC(C)(C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001434410371 961325506 /nfs/dbraw/zinc/32/55/06/961325506.db2.gz QWIFCJKRKFFXLA-UHFFFAOYSA-N -1 3 282.344 1.968 10 0 CDAEHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)[C@@H]1CCCO1 ZINC001420522672 963006683 /nfs/dbraw/zinc/00/66/83/963006683.db2.gz STQCRSZDBFJNSU-SRVKXCTJSA-N -1 3 291.351 1.504 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)C[C@@H](C)O)c1 ZINC001346533161 965160025 /nfs/dbraw/zinc/16/00/25/965160025.db2.gz ZCCXPHIAJREZTN-NXEZZACHSA-N -1 3 292.335 1.406 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1cc(Cl)ccn1 ZINC001559007121 965390956 /nfs/dbraw/zinc/39/09/56/965390956.db2.gz NDVIYJPHKRUUQK-UHFFFAOYSA-N -1 3 296.739 1.449 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001443448842 965470673 /nfs/dbraw/zinc/47/06/73/965470673.db2.gz YYMVYUJYESUUDM-RYUDHWBXSA-N -1 3 295.383 1.210 10 0 CDAEHM CCC[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1ccccc1[O-] ZINC001348493667 966024547 /nfs/dbraw/zinc/02/45/47/966024547.db2.gz XGZPFVYOSJJMJO-DGCLKSJQSA-N -1 3 290.363 1.674 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(CC)CC(C)=O)c1 ZINC001348686082 966129892 /nfs/dbraw/zinc/12/98/92/966129892.db2.gz UUQKPAOSRAOBLR-UHFFFAOYSA-N -1 3 290.319 1.568 10 0 CDAEHM CN1Cc2ccccc2[C@H](NC(=O)c2ccc([O-])cn2)C1 ZINC001447336349 966760556 /nfs/dbraw/zinc/76/05/56/966760556.db2.gz SRZBYWMQQIUAGR-OAHLLOKOSA-N -1 3 283.331 1.704 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCC2(CO)CC2)c1 ZINC001351644744 966967590 /nfs/dbraw/zinc/96/75/90/966967590.db2.gz FNFGGBYRLUNLKF-UHFFFAOYSA-N -1 3 290.319 1.019 10 0 CDAEHM Cn1ccc(=O)c(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC001538333986 967054257 /nfs/dbraw/zinc/05/42/57/967054257.db2.gz DUUTWNDEXRDQCX-UHFFFAOYSA-N -1 3 285.263 1.016 10 0 CDAEHM O=C(Cc1cccc(O)c1)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001452722763 968167874 /nfs/dbraw/zinc/16/78/74/968167874.db2.gz PLYGCPAFTJXVKB-UHFFFAOYSA-N -1 3 291.332 1.035 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C=CCC2)c1 ZINC001452988145 968217384 /nfs/dbraw/zinc/21/73/84/968217384.db2.gz OFRZHFBRYMHSSU-JTQLQIEISA-N -1 3 272.304 1.965 10 0 CDAEHM CN(CCNC(=O)c1ccccc1[O-])C(=O)C1CC=CC1 ZINC001527930699 968762863 /nfs/dbraw/zinc/76/28/63/968762863.db2.gz AAVZXPLAQBPJMV-UHFFFAOYSA-N -1 3 288.347 1.547 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC2([C@@H](C)O)CC2)c1 ZINC001528611274 968889340 /nfs/dbraw/zinc/88/93/40/968889340.db2.gz SDBYLOLSCOXJOT-SECBINFHSA-N -1 3 290.319 1.160 10 0 CDAEHM O=C(N[C@H]1CCCc2ccccc2C1)c1cnncc1[O-] ZINC001456627570 969007070 /nfs/dbraw/zinc/00/70/70/969007070.db2.gz BEVLNULNGPYOCI-ZDUSSCGKSA-N -1 3 283.331 1.860 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)c2ccc(F)c(C=O)c2)n1 ZINC001469726207 970268816 /nfs/dbraw/zinc/26/88/16/970268816.db2.gz WAXDZLGMSMORBW-UHFFFAOYSA-N -1 3 289.266 1.372 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)C=Cc1ccccc1F ZINC001521260158 970276674 /nfs/dbraw/zinc/27/66/74/970276674.db2.gz JJJYICBGGREEQU-SREVYHEPSA-N -1 3 289.266 1.987 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)C=Cc1ccccc1F ZINC001521260158 970276679 /nfs/dbraw/zinc/27/66/79/970276679.db2.gz JJJYICBGGREEQU-SREVYHEPSA-N -1 3 289.266 1.987 10 0 CDAEHM CC[C@@H](C[C@@H](C)O)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001471296696 970410167 /nfs/dbraw/zinc/41/01/67/970410167.db2.gz RLHHPMHUASAJJW-APPZFPTMSA-N -1 3 280.303 1.376 10 0 CDAEHM CCn1cccc1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001471812236 970488842 /nfs/dbraw/zinc/48/88/42/970488842.db2.gz MYQOONNIFVHQNW-UHFFFAOYSA-N -1 3 286.335 1.811 10 0 CDAEHM CC(C)OC(=O)c1cc(NC(=O)c2cccc(F)n2)[n-]n1 ZINC001472091129 970568744 /nfs/dbraw/zinc/56/87/44/970568744.db2.gz OROZTWSEEKTPIZ-UHFFFAOYSA-N -1 3 292.270 1.761 10 0 CDAEHM CC(C)OC(=O)c1cc(NC(=O)c2cccc(F)n2)n[n-]1 ZINC001472091129 970568753 /nfs/dbraw/zinc/56/87/53/970568753.db2.gz OROZTWSEEKTPIZ-UHFFFAOYSA-N -1 3 292.270 1.761 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)c1ocnc1C(F)F ZINC001361826800 970575915 /nfs/dbraw/zinc/57/59/15/970575915.db2.gz UFKTWTYGJJDFGP-UHFFFAOYSA-N -1 3 286.194 1.374 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)c1ocnc1C(F)F ZINC001361826800 970575918 /nfs/dbraw/zinc/57/59/18/970575918.db2.gz UFKTWTYGJJDFGP-UHFFFAOYSA-N -1 3 286.194 1.374 10 0 CDAEHM CC(C)(C)[C@@H]1CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001472633496 970681730 /nfs/dbraw/zinc/68/17/30/970681730.db2.gz RCKHLFOPZPBFKW-LBPRGKRZSA-N -1 3 286.331 1.831 10 0 CDAEHM C[C@@H](Cc1ccccc1F)NC(=O)c1cnncc1[O-] ZINC001361961956 970719060 /nfs/dbraw/zinc/71/90/60/970719060.db2.gz WXAQFDVSBBCFMI-VIFPVBQESA-N -1 3 275.283 1.682 10 0 CDAEHM C/C=C(/C)C(=O)N[C@@H](CC)CNC(=O)c1ccccc1[O-] ZINC001498924465 974114653 /nfs/dbraw/zinc/11/46/53/974114653.db2.gz DRIUTSAKEFBHQD-MCWZUMHDSA-N -1 3 290.363 1.983 10 0 CDAEHM O=C([N-]CC1(NCC(F)(F)C(F)F)CC1)C(F)F ZINC001499143920 974197660 /nfs/dbraw/zinc/19/76/60/974197660.db2.gz FWERRRGRZCAPKF-UHFFFAOYSA-N -1 3 278.196 1.390 10 0 CDAEHM CC[C@H](C)CN1CC(O)(CNC(=O)c2ccccc2[O-])C1 ZINC001407375293 976651746 /nfs/dbraw/zinc/65/17/46/976651746.db2.gz CQFUBONQUUNJST-LBPRGKRZSA-N -1 3 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/nfs/dbraw/zinc/95/46/95/397954695.db2.gz ASQZGTDXZPASGV-MRVPVSSYSA-N -1 3 263.384 1.494 10 0 CDAEHM COCC1(S(=O)(=O)[N-]C(C)(C)C(F)F)CC1 ZINC000649968052 398064229 /nfs/dbraw/zinc/06/42/29/398064229.db2.gz LJDKIDKQRVQMLU-UHFFFAOYSA-N -1 3 257.302 1.129 10 0 CDAEHM O=c1[n-]c(C2CCN(C[C@@H]3CCCCO3)CC2)n[nH]1 ZINC000377602877 296593337 /nfs/dbraw/zinc/59/33/37/296593337.db2.gz NKNZIEGZJXUBJN-NSHDSACASA-N -1 3 266.345 1.259 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N[C@H](C(=O)NC)C(C)C)c1 ZINC000179910965 148135563 /nfs/dbraw/zinc/13/55/63/148135563.db2.gz ORYSJWXUIQGUJZ-ZDUSSCGKSA-N -1 3 278.352 1.455 10 0 CDAEHM NC(=O)COc1ccc(NC(=O)c2cccc([O-])c2)cc1 ZINC000181849572 148228317 /nfs/dbraw/zinc/22/83/17/148228317.db2.gz VOIVYTSQQLGZNC-UHFFFAOYSA-N -1 3 286.287 1.509 10 0 CDAEHM O=C(NCCn1c(=O)[nH]c2ccccc21)c1cccc([O-])c1 ZINC000182568484 148263391 /nfs/dbraw/zinc/26/33/91/148263391.db2.gz VCEVDELHUSPNAF-UHFFFAOYSA-N -1 3 297.314 1.465 10 0 CDAEHM COc1nnc(NC(=O)[C@H](C)Cc2cccc(F)c2)[n-]1 ZINC000182986564 148279731 /nfs/dbraw/zinc/27/97/31/148279731.db2.gz QBLFHFCWGDJFAR-MRVPVSSYSA-N -1 3 278.287 1.770 10 0 CDAEHM COc1nc(NC(=O)[C@H](C)Cc2cccc(F)c2)n[n-]1 ZINC000182986564 148279735 /nfs/dbraw/zinc/27/97/35/148279735.db2.gz QBLFHFCWGDJFAR-MRVPVSSYSA-N -1 3 278.287 1.770 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H](C)Cc2cccc(F)c2)n1 ZINC000182986564 148279740 /nfs/dbraw/zinc/27/97/40/148279740.db2.gz QBLFHFCWGDJFAR-MRVPVSSYSA-N -1 3 278.287 1.770 10 0 CDAEHM Cc1cc(C(=O)N[C@@H]2CCC[C@@H](CO)C2)ccc1[O-] ZINC000311375665 149211248 /nfs/dbraw/zinc/21/12/48/149211248.db2.gz VWSIMKQYMHFFPI-DGCLKSJQSA-N -1 3 263.337 1.982 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2cccnc2)o1 ZINC000334242363 149386697 /nfs/dbraw/zinc/38/66/97/149386697.db2.gz OLYYFDSBYNJDBR-UHFFFAOYSA-N -1 3 252.295 1.462 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cn2)o1 ZINC000334244264 149388802 /nfs/dbraw/zinc/38/88/02/149388802.db2.gz ZIXGFKJLNFDXLC-UHFFFAOYSA-N -1 3 270.285 1.601 10 0 CDAEHM Cc1[nH]nc2nc(C)cc(C(=O)NCc3ncccc3[O-])c12 ZINC000352511121 155239358 /nfs/dbraw/zinc/23/93/58/155239358.db2.gz WHEFMMPOQGYNIN-UHFFFAOYSA-N -1 3 297.318 1.605 10 0 CDAEHM Cc1nn(C)c(C)c1CCC(=O)NCc1ncccc1[O-] ZINC000352515726 155241208 /nfs/dbraw/zinc/24/12/08/155241208.db2.gz IEQMDTNBTSWYOH-UHFFFAOYSA-N -1 3 288.351 1.387 10 0 CDAEHM O=C(NCc1ncccc1[O-])[C@H]1COc2ccccc2C1 ZINC000352516128 155243228 /nfs/dbraw/zinc/24/32/28/155243228.db2.gz KDQYKFXXJRYWCA-GFCCVEGCSA-N -1 3 284.315 1.655 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3CCCCN3C2=O)o1 ZINC000334900851 150054117 /nfs/dbraw/zinc/05/41/17/150054117.db2.gz IBVONQLFTGPYIA-GHMZBOCLSA-N -1 3 298.364 1.020 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCSC2)o1 ZINC000336139428 151304695 /nfs/dbraw/zinc/30/46/95/151304695.db2.gz RKDIFGQMQWDQFR-VIFPVBQESA-N -1 3 261.368 1.762 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CC[C@@H]2C)c1 ZINC000336143783 151308281 /nfs/dbraw/zinc/30/82/81/151308281.db2.gz TUKZUWMLQMIMPK-UFBFGSQYSA-N -1 3 262.309 1.879 10 0 CDAEHM O=S(=O)([N-]Cc1noc(C2CC2)n1)c1cccs1 ZINC000343101740 152031576 /nfs/dbraw/zinc/03/15/76/152031576.db2.gz IHRYFRUFWLBCOF-UHFFFAOYSA-N -1 3 285.350 1.487 10 0 CDAEHM Cc1cc(=NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)[n-]nc1C ZINC000343547277 152219882 /nfs/dbraw/zinc/21/98/82/152219882.db2.gz NKBWVELFTOCMIF-WCQYABFASA-N -1 3 291.399 1.462 10 0 CDAEHM CCc1noc(C)c1NC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000343769901 152296640 /nfs/dbraw/zinc/29/66/40/152296640.db2.gz KTUMUAPMXHLFDY-UHFFFAOYSA-N -1 3 277.280 1.912 10 0 CDAEHM CCn1cncc1S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC000345650456 152904550 /nfs/dbraw/zinc/90/45/50/152904550.db2.gz WMYKUADTWQKENW-VIFPVBQESA-N -1 3 299.318 1.768 10 0 CDAEHM CCCCOCCCNC(=O)NCc1ncccc1[O-] ZINC000349102162 154051892 /nfs/dbraw/zinc/05/18/92/154051892.db2.gz IVNRIHSTQMYUMK-UHFFFAOYSA-N -1 3 281.356 1.793 10 0 CDAEHM C[C@]1(CNC(=O)NCc2ncccc2[O-])CCCO1 ZINC000349648316 154166803 /nfs/dbraw/zinc/16/68/03/154166803.db2.gz YRNYNVRFMSKVOR-CYBMUJFWSA-N -1 3 265.313 1.156 10 0 CDAEHM COC(=O)c1ccc(C[S@](=O)c2ccc([O-])cc2)nc1 ZINC000349681280 154178393 /nfs/dbraw/zinc/17/83/93/154178393.db2.gz VMDWPPSNZZXDGV-FQEVSTJZSA-N -1 3 291.328 1.882 10 0 CDAEHM O=C(NCCCn1ccnc1)c1cc(=O)c2ccccc2[n-]1 ZINC000349810417 154224280 /nfs/dbraw/zinc/22/42/80/154224280.db2.gz ZIPGMCTUGNDUBF-UHFFFAOYSA-N -1 3 296.330 1.545 10 0 CDAEHM CC(=O)c1ccc(C(=O)NCc2ncccc2[O-])[nH]1 ZINC000352213546 155028590 /nfs/dbraw/zinc/02/85/90/155028590.db2.gz VPZLPRGQCZEKOL-UHFFFAOYSA-N -1 3 259.265 1.248 10 0 CDAEHM O=c1cc(CN2C[C@H](O)C3(CC3)C2)c2ccc([O-])cc2o1 ZINC000375320229 160366880 /nfs/dbraw/zinc/36/68/80/160366880.db2.gz PQNSXBHUCASILI-AWEZNQCLSA-N -1 3 287.315 1.455 10 0 CDAEHM CC[C@H](C)CCC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000355496132 157082599 /nfs/dbraw/zinc/08/25/99/157082599.db2.gz IKZLPTOHQFGPRO-IINYFYTJSA-N -1 3 281.356 1.013 10 0 CDAEHM O=c1cc(CN2CC(F)(F)C[C@@H]2CO)nc(C2CC2)[n-]1 ZINC000656501107 413356430 /nfs/dbraw/zinc/35/64/30/413356430.db2.gz DMKVNFBMBRKOHE-SNVBAGLBSA-N -1 3 285.294 1.262 10 0 CDAEHM CC[C@H](C[C@@H](C)CO)NC(=O)c1cccc([O-])c1 ZINC000357425497 157746922 /nfs/dbraw/zinc/74/69/22/157746922.db2.gz RDSHZHWIUGYYRZ-ZYHUDNBSSA-N -1 3 251.326 1.919 10 0 CDAEHM O=S(=O)(Cc1cncc(C(F)(F)F)c1)c1nnc[n-]1 ZINC000359839533 158395350 /nfs/dbraw/zinc/39/53/50/158395350.db2.gz IZPWJVGROFEPOY-UHFFFAOYSA-N -1 3 292.242 1.192 10 0 CDAEHM O=C([N-]c1cnsn1)c1csc(-c2ncccn2)n1 ZINC001586900240 1172965410 /nfs/dbraw/zinc/96/54/10/1172965410.db2.gz SEQMAYXBOGTWKA-UHFFFAOYSA-N -1 3 290.333 1.704 10 0 CDAEHM C[C@@H](O)CN(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CC1 ZINC000655380262 412143389 /nfs/dbraw/zinc/14/33/89/412143389.db2.gz AXSFAMOIUHHTFF-SNVBAGLBSA-N -1 3 286.331 1.514 10 0 CDAEHM O=C([O-])CCNCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000035386571 172168657 /nfs/dbraw/zinc/16/86/57/172168657.db2.gz OFZOWZPUCOBXEF-UHFFFAOYSA-N -1 3 291.756 1.178 10 0 CDAEHM CCN(C(=O)CNCCC(=O)[O-])c1ccccc1 ZINC000035386644 172168765 /nfs/dbraw/zinc/16/87/65/172168765.db2.gz MBRRKCATNMLVPY-UHFFFAOYSA-N -1 3 250.298 1.104 10 0 CDAEHM Cc1ccc(NC(=O)CN[C@@H](C)C(=O)[O-])cc1F ZINC000035387146 172168808 /nfs/dbraw/zinc/16/88/08/172168808.db2.gz MDTXICCSZVSUCP-QMMMGPOBSA-N -1 3 254.261 1.135 10 0 CDAEHM Cc1cc(Nc2cnn(C(C)(C)C(=O)[O-])c2)ccn1 ZINC000662896110 413671681 /nfs/dbraw/zinc/67/16/81/413671681.db2.gz SYERQLCPTAPRNT-UHFFFAOYSA-N -1 3 260.297 1.572 10 0 CDAEHM C[C@H]1CCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1F ZINC000654986347 413875681 /nfs/dbraw/zinc/87/56/81/413875681.db2.gz FAARFMBBWMUMLW-WPRPVWTQSA-N -1 3 279.315 1.880 10 0 CDAEHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cn(C)cn2)C[C@@H](C)C1 ZINC000657087870 413921329 /nfs/dbraw/zinc/92/13/29/413921329.db2.gz VPHBKPJINWYXJC-GDNZZTSVSA-N -1 3 285.413 1.771 10 0 CDAEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(C)c2F)C1 ZINC000657107051 413937115 /nfs/dbraw/zinc/93/71/15/413937115.db2.gz ZHAOVXSETWEEKN-XYPYZODXSA-N -1 3 287.356 1.980 10 0 CDAEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cncc(Cl)c2)C1 ZINC000657105874 413938350 /nfs/dbraw/zinc/93/83/50/413938350.db2.gz CZCWZMBFNADKEP-MGCOHNPYSA-N -1 3 290.772 1.581 10 0 CDAEHM O=S(=O)([N-][C@@H]1C[C@H](O)C12CCC2)c1cccs1 ZINC000657184443 414015071 /nfs/dbraw/zinc/01/50/71/414015071.db2.gz JARSXVGDOWCOCI-BDAKNGLRSA-N -1 3 273.379 1.330 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@]2(C)CC2(F)F)o1 ZINC000657154865 413986095 /nfs/dbraw/zinc/98/60/95/413986095.db2.gz DUGFYLIUDHXDAR-VIFPVBQESA-N -1 3 265.281 1.912 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CC[C@]2(C)CC2(F)F)c1 ZINC000657160118 413992460 /nfs/dbraw/zinc/99/24/60/413992460.db2.gz NURMDPDPYDDMND-SNVBAGLBSA-N -1 3 293.339 1.617 10 0 CDAEHM CCCn1c(=O)[n-]nc1S[C@H](C)c1nnc(CC)[nH]1 ZINC000657231659 414055688 /nfs/dbraw/zinc/05/56/88/414055688.db2.gz JIMCKCOTSAOKJG-SSDOTTSWSA-N -1 3 282.373 1.928 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-][C@@H]2C[C@H](O)C23CCC3)s1 ZINC000657188840 414026027 /nfs/dbraw/zinc/02/60/27/414026027.db2.gz SLNUOVJBCBXKHX-BDAKNGLRSA-N -1 3 288.394 1.033 10 0 CDAEHM C[C@@H](CNC(=O)NC[C@H](C(=O)[O-])C1CCC1)N(C)C1CC1 ZINC000665304442 414049036 /nfs/dbraw/zinc/04/90/36/414049036.db2.gz AKPFGUMZZAUICB-GWCFXTLKSA-N -1 3 297.399 1.269 10 0 CDAEHM C[C@H]1CN(CC(=O)c2cc(F)ccc2[O-])C[C@H](C)O1 ZINC000037332538 173133489 /nfs/dbraw/zinc/13/34/89/173133489.db2.gz OFLPJUUTPUDGIH-UWVGGRQHSA-N -1 3 267.300 1.823 10 0 CDAEHM CS(=O)(=O)[N-]c1ccc(C(=O)[C@H]2CCCO2)cc1 ZINC000037360748 173150317 /nfs/dbraw/zinc/15/03/17/173150317.db2.gz TWRKBVYSBJRLIS-LLVKDONJSA-N -1 3 269.322 1.420 10 0 CDAEHM CC1(C)CCCN[C@H]1C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663280461 414118725 /nfs/dbraw/zinc/11/87/25/414118725.db2.gz WMYPCBOETOPWAW-RYUDHWBXSA-N -1 3 282.384 1.382 10 0 CDAEHM COc1cc(C[N-]S(=O)(=O)c2ccc(C)cc2C)on1 ZINC000660011870 414360443 /nfs/dbraw/zinc/36/04/43/414360443.db2.gz YUNHIDCQUAARFN-UHFFFAOYSA-N -1 3 296.348 1.779 10 0 CDAEHM O=c1nc(CN[C@H]2C[C@H](O)C23CCC3)[n-]c2ccsc21 ZINC000661832984 414392913 /nfs/dbraw/zinc/39/29/13/414392913.db2.gz LRJVVOUYDJQDSP-UWVGGRQHSA-N -1 3 291.376 1.790 10 0 CDAEHM O=C([O-])c1nc(OCCN2CCCC2)ccc1Cl ZINC000040240095 174212856 /nfs/dbraw/zinc/21/28/56/174212856.db2.gz SASAKHSSMIOAHR-UHFFFAOYSA-N -1 3 270.716 1.908 10 0 CDAEHM Nc1ccc(OCCN2CCCC2)c(C(=O)[O-])c1 ZINC000040240167 174213069 /nfs/dbraw/zinc/21/30/69/174213069.db2.gz MSHHDKFXQRYGAM-UHFFFAOYSA-N -1 3 250.298 1.442 10 0 CDAEHM CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000040472899 174281315 /nfs/dbraw/zinc/28/13/15/174281315.db2.gz SWXXHHQPWGHLPP-GZMMTYOYSA-N -1 3 250.298 1.697 10 0 CDAEHM CC[C@@H](C)NCC(=O)Nc1cc(F)ccc1C(=O)[O-] ZINC000040473709 174281952 /nfs/dbraw/zinc/28/19/52/174281952.db2.gz ODJJRBOSHQQPNW-MRVPVSSYSA-N -1 3 268.288 1.851 10 0 CDAEHM CC1CCC(NC(=O)[C@](C)(N)C2CC2)(C(=O)[O-])CC1 ZINC000040481566 174285408 /nfs/dbraw/zinc/28/54/08/174285408.db2.gz APHNAMMDVLKWPE-JRZRUSQNSA-N -1 3 268.357 1.264 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000040481784 174285972 /nfs/dbraw/zinc/28/59/72/174285972.db2.gz HGOLXEBOSFWLMW-QWRGUYRKSA-N -1 3 270.373 1.654 10 0 CDAEHM CCC[C@@](C)(NC(=O)C1(N)CCCCC1)C(=O)[O-] ZINC000040482877 174286445 /nfs/dbraw/zinc/28/64/45/174286445.db2.gz WKLHNODNTGAPLV-GFCCVEGCSA-N -1 3 256.346 1.408 10 0 CDAEHM Cc1ccc(N(CC(=O)[O-])C(=O)C2(N)CCCC2)cc1 ZINC000040483845 174286932 /nfs/dbraw/zinc/28/69/32/174286932.db2.gz GTZNAMBVVHDJGN-UHFFFAOYSA-N -1 3 276.336 1.684 10 0 CDAEHM CC[C@H](C)NCC(=O)N(CCC(=O)[O-])c1ccccc1 ZINC000040483911 174287376 /nfs/dbraw/zinc/28/73/76/174287376.db2.gz LUYCQACILOOLON-LBPRGKRZSA-N -1 3 278.352 1.882 10 0 CDAEHM CCC[C@](C)(N)C(=O)N(CCC(=O)[O-])C(C)(C)C ZINC000040484525 174288136 /nfs/dbraw/zinc/28/81/36/174288136.db2.gz HJDBGAGFCRSYGU-ZDUSSCGKSA-N -1 3 258.362 1.606 10 0 CDAEHM CC[C@@H](C)N(CC(=O)[O-])C(=O)C1(N)CCCCC1 ZINC000040486071 174289237 /nfs/dbraw/zinc/28/92/37/174289237.db2.gz LSELTIAJYRAOMB-SNVBAGLBSA-N -1 3 256.346 1.360 10 0 CDAEHM Cc1ccc(NC(=O)CNC(=O)c2ccoc2)c([O-])c1 ZINC000040514009 174306020 /nfs/dbraw/zinc/30/60/20/174306020.db2.gz PDWHFKYQNKZTDE-UHFFFAOYSA-N -1 3 274.276 1.662 10 0 CDAEHM CC[C@H](C)[C@@H](NC(=O)NC[C@@H]1CCCN1CC)C(=O)[O-] ZINC000040552820 174329727 /nfs/dbraw/zinc/32/97/27/174329727.db2.gz MXAHWBBYWZSHJU-SDDRHHMPSA-N -1 3 285.388 1.269 10 0 CDAEHM Cc1cc(=O)[n-]c(S[C@@H](c2ccccn2)[C@H](C)N)n1 ZINC000043344599 175016488 /nfs/dbraw/zinc/01/64/88/175016488.db2.gz VVOFOAABTMXWMA-JOYOIKCWSA-N -1 3 276.365 1.654 10 0 CDAEHM COc1nc2sccn2c1CN[C@H](CC(C)C)C(=O)[O-] ZINC000043433813 175044120 /nfs/dbraw/zinc/04/41/20/175044120.db2.gz VOIJESJTBXCIQH-SECBINFHSA-N -1 3 297.380 1.993 10 0 CDAEHM CC(C)C[C@H](NCc1cc(=O)n2ccccc2n1)C(=O)[O-] ZINC000043443485 175047306 /nfs/dbraw/zinc/04/73/06/175047306.db2.gz KQAFFSHKEXJJRG-LBPRGKRZSA-N -1 3 289.335 1.283 10 0 CDAEHM CC(=O)N[C@H]1CCc2nc(=S)[n-]c(C(F)(F)F)c2C1 ZINC000043464155 175052614 /nfs/dbraw/zinc/05/26/14/175052614.db2.gz DORJMYWUCNRLBX-LURJTMIESA-N -1 3 291.298 1.778 10 0 CDAEHM COC(=O)[C@H](NCCN(C)C)c1ccc([O-])c(Cl)c1 ZINC000043489526 175056748 /nfs/dbraw/zinc/05/67/48/175056748.db2.gz ICAOIOUAPOMNDL-GFCCVEGCSA-N -1 3 286.759 1.411 10 0 CDAEHM CCC(CC)(CC(=O)NC[C@H]1CCCN(C)C1)C(=O)[O-] ZINC000044536296 175198443 /nfs/dbraw/zinc/19/84/43/175198443.db2.gz DWVXGFDPWSCACP-GFCCVEGCSA-N -1 3 284.400 1.726 10 0 CDAEHM CN1CCC[C@H](CNC(=O)c2ccccc2C(=O)[O-])C1 ZINC000044536167 175198823 /nfs/dbraw/zinc/19/88/23/175198823.db2.gz VNQGXPKQDBJDMD-LLVKDONJSA-N -1 3 276.336 1.456 10 0 CDAEHM CN1CCCC[C@@H]1CNCc1nc(=O)c2sccc2[n-]1 ZINC000044562620 175205979 /nfs/dbraw/zinc/20/59/79/175205979.db2.gz DNTWKNVRLVPFEW-SNVBAGLBSA-N -1 3 292.408 1.559 10 0 CDAEHM CN1CCCC[C@@H]1CNC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000044565593 175208453 /nfs/dbraw/zinc/20/84/53/175208453.db2.gz IPKLVPWWSFRCDQ-GFCCVEGCSA-N -1 3 297.399 1.557 10 0 CDAEHM O=C([O-])[C@H]1c2ccsc2CCN1CCCCO ZINC000044592473 175213854 /nfs/dbraw/zinc/21/38/54/175213854.db2.gz YSGKJJMLPOEYRR-LLVKDONJSA-N -1 3 255.339 1.504 10 0 CDAEHM CCC[C@@](C)(N)C(=O)N1CCc2sccc2[C@H]1C(=O)[O-] ZINC000044592658 175214131 /nfs/dbraw/zinc/21/41/31/175214131.db2.gz WQCPEIDQCKJYMV-SMDDNHRTSA-N -1 3 296.392 1.776 10 0 CDAEHM Cc1cc(C[N-]S(=O)(=O)c2cc(F)ccc2N)on1 ZINC000044986869 175284456 /nfs/dbraw/zinc/28/44/56/175284456.db2.gz FFQIFPKLQQKMPP-UHFFFAOYSA-N -1 3 285.300 1.183 10 0 CDAEHM C[C@H](CNC(=O)N[C@@](C)(C(=O)[O-])C1CC1)N1CCCCC1 ZINC000045013401 175290569 /nfs/dbraw/zinc/29/05/69/175290569.db2.gz BZNSTRXDAWCWMF-IAQYHMDHSA-N -1 3 297.399 1.413 10 0 CDAEHM CCN1CCC[C@H](NC(=O)/C(C)=C(/C)C(=O)[O-])C1 ZINC000071165610 176048073 /nfs/dbraw/zinc/04/80/73/176048073.db2.gz CJBCPIDDPOZJOK-JUDLJHIGSA-N -1 3 254.330 1.008 10 0 CDAEHM Cc1cccc(NC(=O)C2(N)CCCC2)c1C(=O)[O-] ZINC000071171586 176052075 /nfs/dbraw/zinc/05/20/75/176052075.db2.gz HRCJNOBIWXLEFH-UHFFFAOYSA-N -1 3 262.309 1.903 10 0 CDAEHM O=C(NCCC1(CO)CCC1)c1ccc(O)cc1[O-] ZINC000652932880 423903876 /nfs/dbraw/zinc/90/38/76/423903876.db2.gz BRUIXYUMXBNKFO-UHFFFAOYSA-N -1 3 265.309 1.380 10 0 CDAEHM COc1cccc(S(=O)(=O)[N-][C@H]2[C@@H]3CCC[C@@H]32)c1F ZINC000655577159 424079721 /nfs/dbraw/zinc/07/97/21/424079721.db2.gz WMPJBFZSAFMQKF-WOFXILAISA-N -1 3 285.340 1.911 10 0 CDAEHM COc1ccc(F)cc1[N-]S(=O)(=O)N1CCC[C@H]1C ZINC000185285825 270256802 /nfs/dbraw/zinc/25/68/02/270256802.db2.gz WGQAAMCTZQWECS-SECBINFHSA-N -1 3 288.344 1.975 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)c1cscn1)[C@H]1CCCCO1 ZINC000655665661 424331117 /nfs/dbraw/zinc/33/11/17/424331117.db2.gz WGCAXFUFYKEDFU-NXEZZACHSA-N -1 3 290.410 1.769 10 0 CDAEHM COC[C@H]1CCN1C(=O)N=c1cc2ccccn2[n-]1 ZINC000653142959 424368103 /nfs/dbraw/zinc/36/81/03/424368103.db2.gz TXONTTVIAQCWLW-LLVKDONJSA-N -1 3 260.297 1.009 10 0 CDAEHM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)CCOCC(=O)[O-] ZINC000652441324 424440533 /nfs/dbraw/zinc/44/05/33/424440533.db2.gz GTTDJHYKKQKPIZ-RISCZKNCSA-N -1 3 279.336 1.412 10 0 CDAEHM CN(C[C@H](O)C(F)(F)F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000652474104 424471441 /nfs/dbraw/zinc/47/14/41/424471441.db2.gz ORYKYXNTQXBXSI-MNOVXSKESA-N -1 3 291.269 1.537 10 0 CDAEHM CC[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000651976282 424549504 /nfs/dbraw/zinc/54/95/04/424549504.db2.gz DFCHGSPABNGGPB-IJLUTSLNSA-N -1 3 291.399 1.717 10 0 CDAEHM CC[C@@H](CC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1)C(C)C ZINC000651979027 424611199 /nfs/dbraw/zinc/61/11/99/424611199.db2.gz SOGIVNCQQBZSNZ-NWDGAFQWSA-N -1 3 293.415 1.963 10 0 CDAEHM C[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@@H](C)C1O ZINC000661619724 424607280 /nfs/dbraw/zinc/60/72/80/424607280.db2.gz CYZQIHSLRFUOQU-NXEZZACHSA-N -1 3 277.368 1.508 10 0 CDAEHM COc1ccc(C(=O)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c([O-])c1 ZINC000529986957 271087381 /nfs/dbraw/zinc/08/73/81/271087381.db2.gz NXFMQLVTSQSMOB-RBQUTUCGSA-N -1 3 279.336 1.943 10 0 CDAEHM CCCCOc1ccc(C(=O)NCC2COC2)c([O-])c1 ZINC000530115501 271109106 /nfs/dbraw/zinc/10/91/06/271109106.db2.gz BKDRMHBRDZOUND-UHFFFAOYSA-N -1 3 279.336 1.947 10 0 CDAEHM COCc1cccc(CN2CC[C@@](OC)(C(=O)[O-])C2)c1 ZINC000530172186 271131293 /nfs/dbraw/zinc/13/12/93/271131293.db2.gz WDROSDOMOHHOLR-HNNXBMFYSA-N -1 3 279.336 1.509 10 0 CDAEHM C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCc1ncccc1[O-] ZINC000530309285 271201641 /nfs/dbraw/zinc/20/16/41/271201641.db2.gz MXRLYRKNNJHMGX-VHSXEESVSA-N -1 3 262.309 1.409 10 0 CDAEHM Cc1cc(C)nc(NC(=O)c2cc(=O)[n-]c(N(C)C)n2)c1 ZINC000338825716 278683414 /nfs/dbraw/zinc/68/34/14/278683414.db2.gz XSQHTAKVBLVLFR-UHFFFAOYSA-N -1 3 287.323 1.512 10 0 CDAEHM CC(C)C[C@H](CNC(=O)N[C@@H]1CCN(C2CC2)C1)C(=O)[O-] ZINC000094705764 279155455 /nfs/dbraw/zinc/15/54/55/279155455.db2.gz STSMTQOZQLQIHN-VXGBXAGGSA-N -1 3 297.399 1.269 10 0 CDAEHM CCN(CCC(=O)[O-])CC(=O)N(C)C1=CCCC1 ZINC000038024513 279174537 /nfs/dbraw/zinc/17/45/37/279174537.db2.gz UOLOEUGGVQEMGO-UHFFFAOYSA-N -1 3 254.330 1.309 10 0 CDAEHM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000087618256 279256501 /nfs/dbraw/zinc/25/65/01/279256501.db2.gz GJFLQLDRIAGOPW-OCCSQVGLSA-N -1 3 288.347 1.197 10 0 CDAEHM CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)N(C)C ZINC000262284352 280164853 /nfs/dbraw/zinc/16/48/53/280164853.db2.gz WGTNOHBKCGCKLI-YWPYICTPSA-N -1 3 282.384 1.286 10 0 CDAEHM CC[C@H]1CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000294067307 288234528 /nfs/dbraw/zinc/23/45/28/288234528.db2.gz QBMSGVLXSZQXON-VIFPVBQESA-N -1 3 258.277 1.195 10 0 CDAEHM CCOC1(C)CN(C(=O)c2ccc(OC)cc2[O-])C1 ZINC000399980784 280732127 /nfs/dbraw/zinc/73/21/27/280732127.db2.gz KDRMIJCQQVRNIB-UHFFFAOYSA-N -1 3 265.309 1.652 10 0 CDAEHM O=C(CCc1cccnc1)NCc1ncccc1[O-] ZINC000527481341 281143439 /nfs/dbraw/zinc/14/34/39/281143439.db2.gz FTXOAWFMQSALSG-UHFFFAOYSA-N -1 3 257.293 1.431 10 0 CDAEHM COCc1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)no1 ZINC000527499404 281145242 /nfs/dbraw/zinc/14/52/42/281145242.db2.gz AYVAETHGZQAEGH-LLVKDONJSA-N -1 3 292.295 1.070 10 0 CDAEHM CCN=c1[n-]c(C(=O)N[C@@H]2C[C@]2(C)OCC)cs1 ZINC000529857163 281377016 /nfs/dbraw/zinc/37/70/16/281377016.db2.gz CFMVDOGVXBQEHL-SKDRFNHKSA-N -1 3 269.370 1.294 10 0 CDAEHM CCN=c1[n-]c(C(=O)N(C)C2CCOCC2)cs1 ZINC000532658919 282017766 /nfs/dbraw/zinc/01/77/66/282017766.db2.gz HMPCWRZZSNDLJT-UHFFFAOYSA-N -1 3 269.370 1.248 10 0 CDAEHM CCc1oc(C(=O)Nc2nnc(SCCO)[n-]2)cc1C ZINC000155396591 289238147 /nfs/dbraw/zinc/23/81/47/289238147.db2.gz QNBCJPLNBJCCJF-UHFFFAOYSA-N -1 3 296.352 1.605 10 0 CDAEHM CCc1oc(C(=O)Nc2nc(SCCO)n[n-]2)cc1C ZINC000155396591 289238149 /nfs/dbraw/zinc/23/81/49/289238149.db2.gz QNBCJPLNBJCCJF-UHFFFAOYSA-N -1 3 296.352 1.605 10 0 CDAEHM CCc1oc(C(=O)Nc2n[n-]c(SCCO)n2)cc1C ZINC000155396591 289238150 /nfs/dbraw/zinc/23/81/50/289238150.db2.gz QNBCJPLNBJCCJF-UHFFFAOYSA-N -1 3 296.352 1.605 10 0 CDAEHM COc1cc(=NC(=O)c2ccccc2-n2cccn2)[n-]n1C ZINC000547815008 289811535 /nfs/dbraw/zinc/81/15/35/289811535.db2.gz GCHKSKCHRXUVPF-UHFFFAOYSA-N -1 3 297.318 1.289 10 0 CDAEHM COc1cc(=NC(=O)Cc2c(F)cccc2F)[n-]n1C ZINC000547816945 289811996 /nfs/dbraw/zinc/81/19/96/289811996.db2.gz XWAUEDGQNDHGDM-UHFFFAOYSA-N -1 3 281.262 1.310 10 0 CDAEHM COc1cc(=NC(=O)c2cc3ccccc3[nH]c2=O)[n-]n1C ZINC000548144785 289849760 /nfs/dbraw/zinc/84/97/60/289849760.db2.gz RBVOCLCMPVFRPO-UHFFFAOYSA-N -1 3 298.302 1.357 10 0 CDAEHM COc1cc(=NC(=O)N2CC[C@@H](C)C3(CCC3)C2)[n-]n1C ZINC000548494063 289895307 /nfs/dbraw/zinc/89/53/07/289895307.db2.gz UIXDAFDNKKGVOP-LLVKDONJSA-N -1 3 292.383 1.895 10 0 CDAEHM CCc1coc([N-]C(=O)c2cc(C(=O)OC)co2)n1 ZINC000550084499 289981764 /nfs/dbraw/zinc/98/17/64/289981764.db2.gz UDQBMQCTDYIZJZ-UHFFFAOYSA-N -1 3 264.237 1.869 10 0 CDAEHM COCc1nc(C(=O)[N-]c2nnc(C)n2C2CC2)co1 ZINC000551889184 290022505 /nfs/dbraw/zinc/02/25/05/290022505.db2.gz VQZSIKCLPFDZGM-UHFFFAOYSA-N -1 3 277.284 1.308 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CCC2CCC2)nc1=N ZINC000555543354 290223329 /nfs/dbraw/zinc/22/33/29/290223329.db2.gz XCKZCHVDIPSFHE-NSHDSACASA-N -1 3 277.372 1.471 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CCc2ccoc2)nc1=N ZINC000555542746 290223743 /nfs/dbraw/zinc/22/37/43/290223743.db2.gz OYHFTQKGQWITRL-NSHDSACASA-N -1 3 289.339 1.117 10 0 CDAEHM CCCCC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000557027252 290323590 /nfs/dbraw/zinc/32/35/90/290323590.db2.gz XKHNTYOLIQJNMO-SECBINFHSA-N -1 3 251.334 1.081 10 0 CDAEHM COc1cc(=NC(=O)N(C)[C@@H](C)C2CC2)[n-]n1C ZINC000562316024 293133868 /nfs/dbraw/zinc/13/38/68/293133868.db2.gz NPDVEUXZBDRLTM-QMMMGPOBSA-N -1 3 252.318 1.113 10 0 CDAEHM CCC[C@@H](C)[C@@H](CO)NC(=O)c1ccc(OC)cc1[O-] ZINC000565116217 293526891 /nfs/dbraw/zinc/52/68/91/293526891.db2.gz ZRDAUZGIBQTZPT-ZWNOBZJWSA-N -1 3 281.352 1.928 10 0 CDAEHM CCc1nc(C)c([N-]S(=O)(=O)N(C)CCOC)s1 ZINC000568276944 294007795 /nfs/dbraw/zinc/00/77/95/294007795.db2.gz KXMKVJVCWMAVGO-UHFFFAOYSA-N -1 3 293.414 1.249 10 0 CDAEHM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1cscn1)C1CC1 ZINC000569099935 294155730 /nfs/dbraw/zinc/15/57/30/294155730.db2.gz UGONDRIYQLJRTG-GMSGAONNSA-N -1 3 276.383 1.235 10 0 CDAEHM Cn1cccc(C(=O)Nc2ncc(C(F)(F)F)[n-]2)c1=O ZINC000335925398 294369312 /nfs/dbraw/zinc/36/93/12/294369312.db2.gz SVJRQDKKHHKNQD-UHFFFAOYSA-N -1 3 286.213 1.380 10 0 CDAEHM Cc1nc(C[N-]S(=O)(=O)CCC2CCCC2)no1 ZINC000574149900 294953422 /nfs/dbraw/zinc/95/34/22/294953422.db2.gz ZWOKXTFHBYYXFF-UHFFFAOYSA-N -1 3 273.358 1.378 10 0 CDAEHM COc1cc([N-]S(=O)(=O)C[C@H](OC)C2CC2)ccn1 ZINC000566228988 316522266 /nfs/dbraw/zinc/52/22/66/316522266.db2.gz DLFUYMBFOTVQJK-NSHDSACASA-N -1 3 286.353 1.257 10 0 CDAEHM COc1nccc(CN2[C@H](C)[C@H](C(=O)[O-])CC[C@@H]2C)n1 ZINC000576411625 317135337 /nfs/dbraw/zinc/13/53/37/317135337.db2.gz HCFHFVGUVZMBLJ-HOSYDEDBSA-N -1 3 279.340 1.559 10 0 CDAEHM COc1ccc(NC(=O)CN2CC[C@H](C)C2)c([O-])c1 ZINC000577413438 317328801 /nfs/dbraw/zinc/32/88/01/317328801.db2.gz VCWQWDGVZDSITF-JTQLQIEISA-N -1 3 264.325 1.681 10 0 CDAEHM COc1c2cnn(C)c2ncc1C(=O)Nc1ncccc1[O-] ZINC000183969520 323352176 /nfs/dbraw/zinc/35/21/76/323352176.db2.gz AITXJEGZTBBHMY-UHFFFAOYSA-N -1 3 299.290 1.330 10 0 CDAEHM CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)Cc1ccc(C)c(C)c1 ZINC000580171193 324386213 /nfs/dbraw/zinc/38/62/13/324386213.db2.gz 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Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@H](N)CC(=O)[O-] ZINC000085814825 179179049 /nfs/dbraw/zinc/17/90/49/179179049.db2.gz DLYGZAXUGHYWTD-GHMZBOCLSA-N -1 3 294.351 1.520 10 0 CDAEHM CC[C@H]1c2ccsc2CCN1C(=O)[C@@H](N)CC(=O)[O-] ZINC000085816076 179180436 /nfs/dbraw/zinc/18/04/36/179180436.db2.gz OETXLKXSHNJCGD-UWVGGRQHSA-N -1 3 282.365 1.386 10 0 CDAEHM CO[C@@H]1CC[C@@H](C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000612631956 347234092 /nfs/dbraw/zinc/23/40/92/347234092.db2.gz KBCRVEZJFHMWKD-GHMZBOCLSA-N -1 3 267.300 1.963 10 0 CDAEHM COc1nnc(NC(=O)c2c(C3CCC3)cnn2C)[n-]1 ZINC000613196943 347462666 /nfs/dbraw/zinc/46/26/66/347462666.db2.gz XEITXNPRORVGRM-UHFFFAOYSA-N -1 3 276.300 1.067 10 0 CDAEHM COc1nc(NC(=O)c2c(C3CCC3)cnn2C)n[n-]1 ZINC000613196943 347462668 /nfs/dbraw/zinc/46/26/68/347462668.db2.gz XEITXNPRORVGRM-UHFFFAOYSA-N -1 3 276.300 1.067 10 0 CDAEHM COc1n[n-]c(NC(=O)c2c(C3CCC3)cnn2C)n1 ZINC000613196943 347462670 /nfs/dbraw/zinc/46/26/70/347462670.db2.gz XEITXNPRORVGRM-UHFFFAOYSA-N -1 3 276.300 1.067 10 0 CDAEHM CCN[C@H]1C(=O)Nc2cc([O-])c(Br)cc21 ZINC000086233120 179254507 /nfs/dbraw/zinc/25/45/07/179254507.db2.gz IPXPBZPBJFNTSE-SECBINFHSA-N -1 3 271.114 1.757 10 0 CDAEHM O=C(Nc1ncccc1[O-])c1onc2c1CCCC2 ZINC000613426975 347724328 /nfs/dbraw/zinc/72/43/28/347724328.db2.gz MDSUQDVWDPSRLX-UHFFFAOYSA-N -1 3 259.265 1.906 10 0 CDAEHM CSc1ccc([O-])c(C(=O)NCCCn2ccnn2)c1 ZINC000613454876 347738590 /nfs/dbraw/zinc/73/85/90/347738590.db2.gz PVKFWQXVMIIXDS-UHFFFAOYSA-N -1 3 292.364 1.526 10 0 CDAEHM Cc1ccoc1CC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000614427249 348109484 /nfs/dbraw/zinc/10/94/84/348109484.db2.gz PVDIQHYOSIMCDE-SNVBAGLBSA-N -1 3 289.339 1.035 10 0 CDAEHM Cc1cc(C(=O)N[C@H]2C[C@H](O)C23CCC3)ccc1[O-] ZINC000619078028 348188832 /nfs/dbraw/zinc/18/88/32/348188832.db2.gz NSWFUHXGBXCOJI-STQMWFEESA-N -1 3 261.321 1.734 10 0 CDAEHM CCc1cc(=O)[n-]c(CN[C@@H]2CCOC2(C)C)n1 ZINC000295151600 199373956 /nfs/dbraw/zinc/37/39/56/199373956.db2.gz DFJCJDDAXVOQSG-SNVBAGLBSA-N -1 3 251.330 1.402 10 0 CDAEHM CCCC(C)(C)CC(=O)[N-]c1nnc2[nH]cnn12 ZINC000614994158 348296644 /nfs/dbraw/zinc/29/66/44/348296644.db2.gz NYJBEXBLMVKRPP-UHFFFAOYSA-N -1 3 250.306 1.607 10 0 CDAEHM Cc1cc(C[N-]S(=O)(=O)c2cscn2)cc(C)n1 ZINC000571637563 362907461 /nfs/dbraw/zinc/90/74/61/362907461.db2.gz OQKGDRMWXYJDQA-UHFFFAOYSA-N -1 3 283.378 1.633 10 0 CDAEHM C[C@@H](COc1c(F)cccc1F)NC(=O)c1c[n-]nn1 ZINC000618173166 349393089 /nfs/dbraw/zinc/39/30/89/349393089.db2.gz GASRKJWBYFOTJB-ZETCQYMHSA-N -1 3 282.250 1.280 10 0 CDAEHM C[C@@H](COc1c(F)cccc1F)NC(=O)c1cnn[n-]1 ZINC000618173166 349393091 /nfs/dbraw/zinc/39/30/91/349393091.db2.gz GASRKJWBYFOTJB-ZETCQYMHSA-N -1 3 282.250 1.280 10 0 CDAEHM C[C@@H](COc1c(F)cccc1F)NC(=O)c1cn[n-]n1 ZINC000618173166 349393093 /nfs/dbraw/zinc/39/30/93/349393093.db2.gz GASRKJWBYFOTJB-ZETCQYMHSA-N -1 3 282.250 1.280 10 0 CDAEHM CCN(C(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cc(C)cc(C)c1 ZINC000091015242 180086096 /nfs/dbraw/zinc/08/60/96/180086096.db2.gz 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/nfs/dbraw/zinc/42/09/46/356420946.db2.gz CJQIOFULRHZPGD-GFCCVEGCSA-N -1 3 286.335 1.454 10 0 CDAEHM CN(C)CCn1[n-]c2c(c1=O)CCc1ccccc1-2 ZINC000634590047 356472622 /nfs/dbraw/zinc/47/26/22/356472622.db2.gz OSUAMWNJCVMQIN-CYBMUJFWSA-N -1 3 257.337 1.357 10 0 CDAEHM CCN1CCC(n2[n-]c(-c3ccc[nH]3)cc2=O)CC1 ZINC000634601998 356554675 /nfs/dbraw/zinc/55/46/75/356554675.db2.gz CDYSFUOVSAJSQL-UHFFFAOYSA-N -1 3 260.341 1.435 10 0 CDAEHM O=C([O-])[C@H]1Cc2c(Br)ccc(F)c2CN1 ZINC000725255746 538451767 /nfs/dbraw/zinc/45/17/67/538451767.db2.gz LEKPUVLNWDPVQG-SECBINFHSA-N -1 3 274.089 1.687 10 0 CDAEHM O=c1cc(-c2ccc[nH]2)[n-]n1C1=N[C@@H]2CCCC[C@H]2N1 ZINC000634636139 356613110 /nfs/dbraw/zinc/61/31/10/356613110.db2.gz WDCUFCZGCMCYHK-GHMZBOCLSA-N -1 3 271.324 1.222 10 0 CDAEHM O=C([O-])C1CCN(c2ccc(CNC3CC3)o2)CC1 ZINC000725264807 538455752 /nfs/dbraw/zinc/45/57/52/538455752.db2.gz DIDGGFVESHNPCA-UHFFFAOYSA-N -1 3 264.325 1.833 10 0 CDAEHM CN(C)c1ncccc1CNC(=O)c1ccc2n[n-]nc2c1 ZINC000032687889 356649904 /nfs/dbraw/zinc/64/99/04/356649904.db2.gz DSGXVPLBYRABSB-UHFFFAOYSA-N -1 3 296.334 1.349 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C2(C)CCCC2)c1 ZINC000336433529 363550866 /nfs/dbraw/zinc/55/08/66/363550866.db2.gz KFPOWEVOPSRGKU-UHFFFAOYSA-N -1 3 257.359 1.514 10 0 CDAEHM Cn1nc2c(c1CNCc1ncccc1[O-])CCCC2 ZINC000643344064 356698121 /nfs/dbraw/zinc/69/81/21/356698121.db2.gz MGKBLUYOZCFHQU-UHFFFAOYSA-N -1 3 272.352 1.689 10 0 CDAEHM CS(=O)(=O)C[C@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000456202645 363565371 /nfs/dbraw/zinc/56/53/71/363565371.db2.gz XROSMFNHUSLETQ-GFCCVEGCSA-N -1 3 297.376 1.432 10 0 CDAEHM CC(C)N(C(=O)c1cccc2[n-]nnc21)[C@@H]1CCOC1 ZINC000644687837 366373948 /nfs/dbraw/zinc/37/39/48/366373948.db2.gz IYPRUCRCORLTMT-SNVBAGLBSA-N -1 3 274.324 1.597 10 0 CDAEHM CC(C)N(C(=O)c1cccc2nn[n-]c21)[C@@H]1CCOC1 ZINC000644687837 366373952 /nfs/dbraw/zinc/37/39/52/366373952.db2.gz IYPRUCRCORLTMT-SNVBAGLBSA-N -1 3 274.324 1.597 10 0 CDAEHM CC(C)N(C(=O)c1cccc2n[n-]nc21)[C@@H]1CCOC1 ZINC000644687837 366373954 /nfs/dbraw/zinc/37/39/54/366373954.db2.gz IYPRUCRCORLTMT-SNVBAGLBSA-N -1 3 274.324 1.597 10 0 CDAEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1CCSC1 ZINC000095146047 538683194 /nfs/dbraw/zinc/68/31/94/538683194.db2.gz QTOBYHJJDOGWKT-SNVBAGLBSA-N -1 3 289.364 1.482 10 0 CDAEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1CCSC1 ZINC000095146047 538683202 /nfs/dbraw/zinc/68/32/02/538683202.db2.gz QTOBYHJJDOGWKT-SNVBAGLBSA-N -1 3 289.364 1.482 10 0 CDAEHM CC1(C)CO[C@@H](CN(CCC(=O)[O-])C[C@H]2CCCO2)C1 ZINC000634692215 356979294 /nfs/dbraw/zinc/97/92/94/356979294.db2.gz WKOPWSHUWGJGLX-CHWSQXEVSA-N -1 3 285.384 1.757 10 0 CDAEHM CC(C)[C@@H](O)C[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC000185836476 357582736 /nfs/dbraw/zinc/58/27/36/357582736.db2.gz HNRRLUSVDSYJIV-LBPRGKRZSA-N -1 3 298.364 1.264 10 0 CDAEHM C[C@H]1CCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C[C@H](C)C1 ZINC000407988625 357727333 /nfs/dbraw/zinc/72/73/33/357727333.db2.gz HVEUZKVHOBKBQW-WDEREUQCSA-N -1 3 292.383 1.756 10 0 CDAEHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)[C@H](C)OC ZINC000188512404 357906235 /nfs/dbraw/zinc/90/62/35/357906235.db2.gz QUVXLIKUSYCCAA-YUMQZZPRSA-N -1 3 279.383 1.458 10 0 CDAEHM CSC[C@H](C)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000076302503 357978767 /nfs/dbraw/zinc/97/87/67/357978767.db2.gz PZVWGEAGNUYVMA-LURJTMIESA-N -1 3 297.833 1.412 10 0 CDAEHM O=C(Cc1cncc([O-])c1)Nc1cnc(CC2CC2)nc1 ZINC000573338413 358050505 /nfs/dbraw/zinc/05/05/05/358050505.db2.gz MLXVWCHJVPXMKC-UHFFFAOYSA-N -1 3 284.319 1.711 10 0 CDAEHM CC[C@@H]([N-]C(=O)C(F)(F)c1ncccc1C)C(=O)OC ZINC000194732045 358390111 /nfs/dbraw/zinc/39/01/11/358390111.db2.gz LRJUSXCYZZMTCK-SECBINFHSA-N -1 3 286.278 1.550 10 0 CDAEHM Cc1ccc([O-])c(CN2CCNC(=O)[C@H]2C(C)C)n1 ZINC000093054674 358581954 /nfs/dbraw/zinc/58/19/54/358581954.db2.gz UTEBCYOSUJYKSL-CYBMUJFWSA-N -1 3 263.341 1.052 10 0 CDAEHM CC(C)n1c([O-])cc(C(F)(F)F)c(CN)c1=O ZINC000616576600 358728161 /nfs/dbraw/zinc/72/81/61/358728161.db2.gz MTPUTJDEIHSWQB-UHFFFAOYSA-N -1 3 250.220 1.612 10 0 CDAEHM CN(CCCC(=O)[O-])CC(=O)N1CCc2ccccc2C1 ZINC000042717892 358975209 /nfs/dbraw/zinc/97/52/09/358975209.db2.gz FLJLVNWYJWOFBQ-UHFFFAOYSA-N -1 3 290.363 1.368 10 0 CDAEHM COC1CN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000336497514 363646732 /nfs/dbraw/zinc/64/67/32/363646732.db2.gz DZQGFRQLTJDWEP-UHFFFAOYSA-N -1 3 261.321 1.742 10 0 CDAEHM Cc1cccc2c(=O)c(C(=O)N3CC[C@]34CCOC4)c[n-]c12 ZINC000422144452 359601829 /nfs/dbraw/zinc/60/18/29/359601829.db2.gz ZYUSTPOWLXWBJQ-QGZVFWFLSA-N -1 3 298.342 1.842 10 0 CDAEHM CCC[C@@H]1CCCC[C@H]1CNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000560471061 359642502 /nfs/dbraw/zinc/64/25/02/359642502.db2.gz SSRBUXJVHFNYJT-WOPDTQHZSA-N -1 3 295.383 1.307 10 0 CDAEHM CC(C)(CO)ONC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000297323581 200148492 /nfs/dbraw/zinc/14/84/92/200148492.db2.gz WGVJWSBQWYTFPU-UHFFFAOYSA-N -1 3 279.336 1.703 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-]CCc2ccsc2)nc1C ZINC000347971908 359742281 /nfs/dbraw/zinc/74/22/81/359742281.db2.gz WCWFYRCGZRQCJK-UHFFFAOYSA-N -1 3 299.421 1.794 10 0 CDAEHM CC(C)C[C@@H](C)C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297627903 200246432 /nfs/dbraw/zinc/24/64/32/200246432.db2.gz CARQTZCNZJSTCR-MRVPVSSYSA-N -1 3 279.344 1.318 10 0 CDAEHM CC(C)C[C@@H](C)C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297627903 200246434 /nfs/dbraw/zinc/24/64/34/200246434.db2.gz CARQTZCNZJSTCR-MRVPVSSYSA-N -1 3 279.344 1.318 10 0 CDAEHM CC(C)C[C@@H](C)C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297627903 200246436 /nfs/dbraw/zinc/24/64/36/200246436.db2.gz CARQTZCNZJSTCR-MRVPVSSYSA-N -1 3 279.344 1.318 10 0 CDAEHM O=C(CCc1ccccc1)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297767095 200277684 /nfs/dbraw/zinc/27/76/84/200277684.db2.gz PKBLPDHYMJNSTA-UHFFFAOYSA-N -1 3 299.334 1.268 10 0 CDAEHM O=C(CCc1ccccc1)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297767095 200277686 /nfs/dbraw/zinc/27/76/86/200277686.db2.gz PKBLPDHYMJNSTA-UHFFFAOYSA-N -1 3 299.334 1.268 10 0 CDAEHM O=C(CCc1ccccc1)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297767095 200277688 /nfs/dbraw/zinc/27/76/88/200277688.db2.gz PKBLPDHYMJNSTA-UHFFFAOYSA-N -1 3 299.334 1.268 10 0 CDAEHM COc1cccc2c1n[nH]c2C(=O)NCc1ncccc1[O-] ZINC000572647931 363702091 /nfs/dbraw/zinc/70/20/91/363702091.db2.gz HNKXWRKYYKHWRI-UHFFFAOYSA-N -1 3 298.302 1.602 10 0 CDAEHM CC[C@H](N=c1ncnc2[nH][n-]cc1-2)c1nccs1 ZINC000348226499 359897256 /nfs/dbraw/zinc/89/72/56/359897256.db2.gz CDVMVTBMNIKORG-QMMMGPOBSA-N -1 3 260.326 1.746 10 0 CDAEHM Cc1ccc(-n2cccn2)cc1NC(=O)c1nc[n-]n1 ZINC000356898526 366620690 /nfs/dbraw/zinc/62/06/90/366620690.db2.gz RLWCYBSRVCCRCG-UHFFFAOYSA-N -1 3 268.280 1.551 10 0 CDAEHM CCCS(=O)(=O)[N-][C@H](C[C@H](C)CC)C(=O)OC ZINC000578526242 360042695 /nfs/dbraw/zinc/04/26/95/360042695.db2.gz ADYGIOMIRXFKPE-NXEZZACHSA-N -1 3 265.375 1.294 10 0 CDAEHM Cc1cc(C)c(CNCCOCC(=O)[O-])c(C)c1 ZINC000310913421 360073741 /nfs/dbraw/zinc/07/37/41/360073741.db2.gz YPUXGAAAPZAFNP-UHFFFAOYSA-N -1 3 251.326 1.803 10 0 CDAEHM Cc1cc(C)cc(-c2cc(=NC(=O)C(C)(C)N)[nH][n-]2)c1 ZINC000335464619 360217610 /nfs/dbraw/zinc/21/76/10/360217610.db2.gz XKORINJVEXGNOK-UHFFFAOYSA-N -1 3 272.352 1.791 10 0 CDAEHM COc1ccc(NC(=O)NCc2ncccc2[O-])cn1 ZINC000348541166 360387902 /nfs/dbraw/zinc/38/79/02/360387902.db2.gz QUJGGCMUCPPLHC-UHFFFAOYSA-N -1 3 274.280 1.513 10 0 CDAEHM CC(C)(C)c1cc(NC(=O)NCc2ncccc2[O-])no1 ZINC000348786155 360618005 /nfs/dbraw/zinc/61/80/05/360618005.db2.gz JLGRQOQUIVMRCV-UHFFFAOYSA-N -1 3 290.323 1.816 10 0 CDAEHM O=C([O-])c1ccc([C@H]2COCCCN2CCO)cc1 ZINC000616598495 360767279 /nfs/dbraw/zinc/76/72/79/360767279.db2.gz CDHGFUBLJQEUBJ-CYBMUJFWSA-N -1 3 265.309 1.141 10 0 CDAEHM Cn1cc([N-]S(=O)(=O)c2ccoc2)cc(Cl)c1=O ZINC000335726398 360853058 /nfs/dbraw/zinc/85/30/58/360853058.db2.gz YDSOGJNNSVBADX-UHFFFAOYSA-N -1 3 288.712 1.433 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CC[C@H](N2CCCC2=O)C1 ZINC000335742441 360883628 /nfs/dbraw/zinc/88/36/28/360883628.db2.gz PYQHBERJLGSTOX-LBPRGKRZSA-N -1 3 274.320 1.229 10 0 CDAEHM C[C@@H]1CN(C(=O)[C@@H]2NCCCC2(C)C)CC[C@H]1C(=O)[O-] ZINC000312383564 361088105 /nfs/dbraw/zinc/08/81/05/361088105.db2.gz RSUXNHJTXBOJBQ-UTUOFQBUSA-N -1 3 282.384 1.334 10 0 CDAEHM Cn1ccc(CS(=O)(=O)c2cccc([O-])c2)n1 ZINC000350623223 361112276 /nfs/dbraw/zinc/11/22/76/361112276.db2.gz MFLTVICMEOHSQV-UHFFFAOYSA-N -1 3 252.295 1.100 10 0 CDAEHM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCN[C@@H](C)C1)c2=O ZINC000519396019 361299289 /nfs/dbraw/zinc/29/92/89/361299289.db2.gz TYUOVXUGZNURGJ-JTQLQIEISA-N -1 3 286.335 1.078 10 0 CDAEHM Cc1ccc2c([O-])c(C(=O)N3CCN[C@@H](C)C3)cnc2n1 ZINC000519396019 361299293 /nfs/dbraw/zinc/29/92/93/361299293.db2.gz TYUOVXUGZNURGJ-JTQLQIEISA-N -1 3 286.335 1.078 10 0 CDAEHM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000277998140 366720386 /nfs/dbraw/zinc/72/03/86/366720386.db2.gz VAXCGDQXQODERU-LDYMZIIASA-N -1 3 290.772 1.438 10 0 CDAEHM Cc1noc(C)c1CCNC(=O)c1cccc([O-])c1 ZINC000182400391 189322136 /nfs/dbraw/zinc/32/21/36/189322136.db2.gz SBGYGGZYKUZEBR-UHFFFAOYSA-N -1 3 260.293 1.970 10 0 CDAEHM CC(C)(C)C[C@H](O)CNC(=O)c1cccc([O-])c1 ZINC000182465718 189324764 /nfs/dbraw/zinc/32/47/64/189324764.db2.gz JIZBTKMTVYJFNN-LBPRGKRZSA-N -1 3 251.326 1.919 10 0 CDAEHM COc1nnc(NC(=O)Cc2ccccc2OC(F)F)[n-]1 ZINC000182987909 189341837 /nfs/dbraw/zinc/34/18/37/189341837.db2.gz IDDGQHRPCBUDHT-UHFFFAOYSA-N -1 3 298.249 1.596 10 0 CDAEHM COc1nc(NC(=O)Cc2ccccc2OC(F)F)n[n-]1 ZINC000182987909 189341838 /nfs/dbraw/zinc/34/18/38/189341838.db2.gz IDDGQHRPCBUDHT-UHFFFAOYSA-N -1 3 298.249 1.596 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2ccccc2OC(F)F)n1 ZINC000182987909 189341839 /nfs/dbraw/zinc/34/18/39/189341839.db2.gz IDDGQHRPCBUDHT-UHFFFAOYSA-N -1 3 298.249 1.596 10 0 CDAEHM COc1cc(=NC(=O)N2CCC[C@H](C)[C@H]2C)[n-]n1C ZINC000547515811 361435134 /nfs/dbraw/zinc/43/51/34/361435134.db2.gz UNCCTOFYBCJZDS-VHSXEESVSA-N -1 3 266.345 1.503 10 0 CDAEHM O=Cc1[n-]nc(Br)c1Br ZINC000237974525 361500509 /nfs/dbraw/zinc/50/05/09/361500509.db2.gz DJDCZNHGAHBYFI-UHFFFAOYSA-N -1 3 253.881 1.747 10 0 CDAEHM O=Cc1n[n-]c(Br)c1Br ZINC000237974525 361500515 /nfs/dbraw/zinc/50/05/15/361500515.db2.gz 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391179045 /nfs/dbraw/zinc/17/90/45/391179045.db2.gz WUBYDRCMZMHTAD-CMPLNLGQSA-N -1 3 293.367 1.431 10 0 CDAEHM CCOCCCN1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000345522837 391220140 /nfs/dbraw/zinc/22/01/40/391220140.db2.gz IJZNJRBJJFRAOJ-RKDXNWHRSA-N -1 3 269.263 1.608 10 0 CDAEHM Cc1cc(C[C@H](C)NC(=O)c2csc(=O)[n-]2)[nH]n1 ZINC000526918707 391228463 /nfs/dbraw/zinc/22/84/63/391228463.db2.gz LCALRAFQJUSCGW-LURJTMIESA-N -1 3 266.326 1.241 10 0 CDAEHM Cc1nnc([N-]C(=O)c2cn3ccnc3s2)s1 ZINC000188145099 391251463 /nfs/dbraw/zinc/25/14/63/391251463.db2.gz MOSPYXYMSAAGMA-UHFFFAOYSA-N -1 3 265.323 1.808 10 0 CDAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(=O)[nH]c1 ZINC000352983364 391319755 /nfs/dbraw/zinc/31/97/55/391319755.db2.gz FFVRUTJCXGMUIL-SNVBAGLBSA-N -1 3 274.280 1.036 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCn3nc(C)nc32)o1 ZINC000408099386 391350456 /nfs/dbraw/zinc/35/04/56/391350456.db2.gz ZCBLFTMSLMZZQB-SNVBAGLBSA-N -1 3 296.352 1.301 10 0 CDAEHM CC1CCC(C)(CNC(=O)c2cn(C)c(=O)[n-]c2=O)CC1 ZINC000335882814 391609505 /nfs/dbraw/zinc/60/95/05/391609505.db2.gz PKGPSJILMYDKGK-UHFFFAOYSA-N -1 3 293.367 1.432 10 0 CDAEHM CN(Cc1cnccn1)C(=O)c1cccc2[n-]nnc21 ZINC000527108704 391681421 /nfs/dbraw/zinc/68/14/21/391681421.db2.gz WVCUMARYSJYNFL-UHFFFAOYSA-N -1 3 268.280 1.020 10 0 CDAEHM CN(Cc1cnccn1)C(=O)c1cccc2nn[n-]c21 ZINC000527108704 391681426 /nfs/dbraw/zinc/68/14/26/391681426.db2.gz WVCUMARYSJYNFL-UHFFFAOYSA-N -1 3 268.280 1.020 10 0 CDAEHM CN(Cc1cnccn1)C(=O)c1cccc2n[n-]nc21 ZINC000527108704 391681427 /nfs/dbraw/zinc/68/14/27/391681427.db2.gz WVCUMARYSJYNFL-UHFFFAOYSA-N -1 3 268.280 1.020 10 0 CDAEHM Cc1ccc2[n-]cc(C(=O)N(C)Cc3cc[nH]n3)c(=O)c2c1 ZINC000341812270 130072952 /nfs/dbraw/zinc/07/29/52/130072952.db2.gz ZUSIYRMLGRSVGR-UHFFFAOYSA-N -1 3 296.330 1.832 10 0 CDAEHM Cc1ncncc1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000341850485 130092908 /nfs/dbraw/zinc/09/29/08/130092908.db2.gz HWEXAIAIQINPNK-UHFFFAOYSA-N -1 3 280.291 1.244 10 0 CDAEHM Cc1ncc(CNC(=O)c2cccc3nn[n-]c32)s1 ZINC000526116464 391855161 /nfs/dbraw/zinc/85/51/61/391855161.db2.gz DESLOJLLJNRJTR-UHFFFAOYSA-N -1 3 273.321 1.653 10 0 CDAEHM Cc1ncc(CNC(=O)c2cccc3[n-]nnc32)s1 ZINC000526116464 391855165 /nfs/dbraw/zinc/85/51/65/391855165.db2.gz DESLOJLLJNRJTR-UHFFFAOYSA-N -1 3 273.321 1.653 10 0 CDAEHM Cc1ncc(CNC(=O)c2cccc3n[n-]nc32)s1 ZINC000526116464 391855169 /nfs/dbraw/zinc/85/51/69/391855169.db2.gz DESLOJLLJNRJTR-UHFFFAOYSA-N -1 3 273.321 1.653 10 0 CDAEHM O=C(C[C@H]1CCOC1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000525967572 392008352 /nfs/dbraw/zinc/00/83/52/392008352.db2.gz RPXAIFWDIUCCMV-MWLCHTKSSA-N -1 3 265.313 1.048 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCOCC(C)C ZINC000440362960 392187765 /nfs/dbraw/zinc/18/77/65/392187765.db2.gz BZHAASPPGWAXFY-UHFFFAOYSA-N -1 3 269.301 1.197 10 0 CDAEHM COc1cc(C(=O)Nc2n[nH]c(C)n2)cc(Cl)c1[O-] ZINC000442641617 392273393 /nfs/dbraw/zinc/27/33/93/392273393.db2.gz ATZPLPCQIBBOAK-UHFFFAOYSA-N -1 3 282.687 1.733 10 0 CDAEHM COc1cc(C(=O)Nc2nnc(C)[nH]2)cc(Cl)c1[O-] ZINC000442641617 392273398 /nfs/dbraw/zinc/27/33/98/392273398.db2.gz ATZPLPCQIBBOAK-UHFFFAOYSA-N -1 3 282.687 1.733 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2C(=O)[C@@H]2CCCC23CC3)nc1=N ZINC000529264943 392294167 /nfs/dbraw/zinc/29/41/67/392294167.db2.gz JAZHWYRVWCPBPO-WDEREUQCSA-N -1 3 289.383 1.471 10 0 CDAEHM COCc1nc(S[C@@H](C)c2cnc(C)cn2)n[n-]1 ZINC000488282601 392331020 /nfs/dbraw/zinc/33/10/20/392331020.db2.gz RKMBOFXHQVATKP-QMMMGPOBSA-N -1 3 265.342 1.903 10 0 CDAEHM CCn1cnnc1[N-]C(=O)COc1ccsc1 ZINC000573907314 392459942 /nfs/dbraw/zinc/45/99/42/392459942.db2.gz HSGBBQCSBVWPNA-UHFFFAOYSA-N -1 3 252.299 1.377 10 0 CDAEHM Cc1ccc(C(=O)N[C@H](CO)c2ccnn2C)c([O-])c1C ZINC000458175693 392403508 /nfs/dbraw/zinc/40/35/08/392403508.db2.gz XGCKOZNXEJPJPB-GFCCVEGCSA-N -1 3 289.335 1.206 10 0 CDAEHM C[C@@H]1CCN(CC(=O)NCC2CCCCC2)C[C@H]1C(=O)[O-] ZINC000574322787 392570147 /nfs/dbraw/zinc/57/01/47/392570147.db2.gz UGUHUOWDDHIHGP-TZMCWYRMSA-N -1 3 296.411 1.726 10 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1.739 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CO[C@H](C)C1 ZINC000649229982 393123492 /nfs/dbraw/zinc/12/34/92/393123492.db2.gz VFMGNSAKDPTABG-PSASIEDQSA-N -1 3 251.330 1.627 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)CCC1CCCCC1)C(=O)OC ZINC000451303432 393211789 /nfs/dbraw/zinc/21/17/89/393211789.db2.gz MNPXCBJFCVLBBO-GFCCVEGCSA-N -1 3 291.413 1.828 10 0 CDAEHM CO[C@@H](C)CCC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000183920029 140031849 /nfs/dbraw/zinc/03/18/49/140031849.db2.gz CWKRSEAGQUIHNR-JTQLQIEISA-N -1 3 289.339 1.544 10 0 CDAEHM CO[C@@H](C)CCC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000183920029 140031850 /nfs/dbraw/zinc/03/18/50/140031850.db2.gz CWKRSEAGQUIHNR-JTQLQIEISA-N -1 3 289.339 1.544 10 0 CDAEHM [O-]c1cc(F)cc(CN2CCN(Cc3ccon3)CC2)c1 ZINC000186235535 140057838 /nfs/dbraw/zinc/05/78/38/140057838.db2.gz AHWBLZDRZCCHMY-UHFFFAOYSA-N -1 3 291.326 1.837 10 0 CDAEHM C[C@H]1NCCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000189323375 140112347 /nfs/dbraw/zinc/11/23/47/140112347.db2.gz 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263.293 1.206 10 0 CDAEHM CCn1nnc(C)c1C(=O)Nc1ccc([O-])cc1F ZINC000622495237 351194654 /nfs/dbraw/zinc/19/46/54/351194654.db2.gz RQBKGUZXCKGRKP-UHFFFAOYSA-N -1 3 264.260 1.703 10 0 CDAEHM CS[C@@H](C)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291470972 198030754 /nfs/dbraw/zinc/03/07/54/198030754.db2.gz FDQJFJGFYSWKMG-ZETCQYMHSA-N -1 3 295.364 1.273 10 0 CDAEHM CCC1(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)CC1 ZINC000291591318 198044514 /nfs/dbraw/zinc/04/45/14/198044514.db2.gz RAOSGLPHMHPVHM-UHFFFAOYSA-N -1 3 289.335 1.711 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)c1sccc1C)[C@@H](O)C(F)F ZINC000451714121 363082696 /nfs/dbraw/zinc/08/26/96/363082696.db2.gz PCPDEXIIDRHEDO-HTQZYQBOSA-N -1 3 299.364 1.739 10 0 CDAEHM Cc1ccc([O-])c(CN2CC(F)(F)C[C@@H]2CO)n1 ZINC000364654503 358466341 /nfs/dbraw/zinc/46/63/41/358466341.db2.gz NMIPSLWALSQCBV-SECBINFHSA-N -1 3 258.268 1.298 10 0 CDAEHM CCOC(=O)CCc1c(C)nc(C(C)C)[n-]c1=O ZINC000034218942 363102309 /nfs/dbraw/zinc/10/23/09/363102309.db2.gz 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/nfs/dbraw/zinc/37/66/83/356376683.db2.gz WGNSQVVFVVHIER-LBPRGKRZSA-N -1 3 278.352 1.151 10 0 CDAEHM CC1(C)OC(C)(C)C(=O)N(c2ncncc2Cl)[N-]C1=O ZINC000634606222 356558801 /nfs/dbraw/zinc/55/88/01/356558801.db2.gz KRALVLOFLFKJRK-UHFFFAOYSA-N -1 3 298.730 1.082 10 0 CDAEHM Cn1nccc1-c1cc(=S)n([C@@H]2CCOC2)[n-]1 ZINC000725257722 538452644 /nfs/dbraw/zinc/45/26/44/538452644.db2.gz VFFSXYTUINQJTI-MRVPVSSYSA-N -1 3 250.327 1.534 10 0 CDAEHM CC[C@H]1CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000336428390 363544770 /nfs/dbraw/zinc/54/47/70/363544770.db2.gz BCTQCONLOMJEOV-LBPRGKRZSA-N -1 3 282.365 1.683 10 0 CDAEHM CO[C@H]1C[C@@H](CNC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000629812796 363553814 /nfs/dbraw/zinc/55/38/14/363553814.db2.gz AQNWHOGYDGRCJV-PHIMTYICSA-N -1 3 267.300 1.615 10 0 CDAEHM CCn1nccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000131048559 538493428 /nfs/dbraw/zinc/49/34/28/538493428.db2.gz SPOHHOHWZZHDRH-UHFFFAOYSA-N -1 3 297.322 1.013 10 0 CDAEHM CCn1nccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000131048559 538493429 /nfs/dbraw/zinc/49/34/29/538493429.db2.gz SPOHHOHWZZHDRH-UHFFFAOYSA-N -1 3 297.322 1.013 10 0 CDAEHM CCCC[C@H](CC)C(=O)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000083856708 357110814 /nfs/dbraw/zinc/11/08/14/357110814.db2.gz AOIQKLNMICPDAS-IINYFYTJSA-N -1 3 281.356 1.013 10 0 CDAEHM CCCN(CC(=O)OC)C(=O)c1cccc([O-])c1 ZINC000042713290 357077866 /nfs/dbraw/zinc/07/78/66/357077866.db2.gz KNXANBVBNZHDNQ-UHFFFAOYSA-N -1 3 251.282 1.417 10 0 CDAEHM C[C@](O)(CN1CCC(Oc2ccccc2F)CC1)C(=O)[O-] ZINC000634696093 357258670 /nfs/dbraw/zinc/25/86/70/357258670.db2.gz JWGJTAYYQAXQOC-HNNXBMFYSA-N -1 3 297.326 1.505 10 0 CDAEHM COC(=O)c1cc(OC)c(OC)c([O-])c1Br ZINC000034601122 357627757 /nfs/dbraw/zinc/62/77/57/357627757.db2.gz DAGLCAMSBHIRLF-UHFFFAOYSA-N -1 3 291.097 1.959 10 0 CDAEHM Cc1nc(C)c(CC(=O)N[C@@H]2CSC2(C)C)c(=O)[n-]1 ZINC000558952848 358033383 /nfs/dbraw/zinc/03/33/83/358033383.db2.gz ZPCMJGHLMIHWMI-SNVBAGLBSA-N -1 3 281.381 1.352 10 0 CDAEHM CCc1cnc(C[N-]S(=O)(=O)[C@H]2CCO[C@H]2C)s1 ZINC000190168607 358056518 /nfs/dbraw/zinc/05/65/18/358056518.db2.gz OZHAZQHVHDQSBS-WPRPVWTQSA-N -1 3 290.410 1.302 10 0 CDAEHM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2csc(C)c2C)C1=O ZINC000193167470 358270632 /nfs/dbraw/zinc/27/06/32/358270632.db2.gz IMUGBPSTQZZTSZ-CYBMUJFWSA-N -1 3 295.364 1.730 10 0 CDAEHM COc1nnc(NC(=O)c2c(C)cc(C)cc2C)[n-]1 ZINC000129506155 358285697 /nfs/dbraw/zinc/28/56/97/358285697.db2.gz WHYSBQUFRUTREO-UHFFFAOYSA-N -1 3 260.297 1.991 10 0 CDAEHM COc1nc(NC(=O)c2c(C)cc(C)cc2C)n[n-]1 ZINC000129506155 358285701 /nfs/dbraw/zinc/28/57/01/358285701.db2.gz WHYSBQUFRUTREO-UHFFFAOYSA-N -1 3 260.297 1.991 10 0 CDAEHM COc1n[n-]c(NC(=O)c2c(C)cc(C)cc2C)n1 ZINC000129506155 358285704 /nfs/dbraw/zinc/28/57/04/358285704.db2.gz WHYSBQUFRUTREO-UHFFFAOYSA-N -1 3 260.297 1.991 10 0 CDAEHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc2c(C)[nH]nc2c1 ZINC000193338681 358288610 /nfs/dbraw/zinc/28/86/10/358288610.db2.gz VUZVOVVHVLFXRC-MRVPVSSYSA-N -1 3 283.353 1.648 10 0 CDAEHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc2c(C)n[nH]c2c1 ZINC000193338681 358288613 /nfs/dbraw/zinc/28/86/13/358288613.db2.gz VUZVOVVHVLFXRC-MRVPVSSYSA-N -1 3 283.353 1.648 10 0 CDAEHM O=C(c1c[n-]c2ccccc2c1=O)N1CCO[C@H](C2CC2)C1 ZINC000364504567 358435890 /nfs/dbraw/zinc/43/58/90/358435890.db2.gz MTVPPVGDNPOHOF-HNNXBMFYSA-N -1 3 298.342 1.779 10 0 CDAEHM CCOC(=O)c1cc2c([n-]c(CC)nc2=O)s1 ZINC000211840465 358758062 /nfs/dbraw/zinc/75/80/62/358758062.db2.gz UJJXMGPOIFWXSM-UHFFFAOYSA-N -1 3 252.295 1.724 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](CCO)c2ccco2)o1 ZINC000345653901 358829427 /nfs/dbraw/zinc/82/94/27/358829427.db2.gz SGWPPOGQGHYOJG-SNVBAGLBSA-N -1 3 285.321 1.583 10 0 CDAEHM Cc1nc(C2([N-]S(=O)(=O)CC3CC3)CCCC2)no1 ZINC000408331883 359073526 /nfs/dbraw/zinc/07/35/26/359073526.db2.gz OPHVBSKIHRXGEM-UHFFFAOYSA-N -1 3 285.369 1.477 10 0 CDAEHM O=C(Nc1cccc([O-])c1F)[C@@H](O)C1CCOCC1 ZINC000560218050 359397947 /nfs/dbraw/zinc/39/79/47/359397947.db2.gz DTLJRLREVHZTOH-LBPRGKRZSA-N -1 3 269.272 1.257 10 0 CDAEHM CN1CCC(N2Cc3cccc(C(=O)[O-])c3C2=O)CC1 ZINC000039320184 359626858 /nfs/dbraw/zinc/62/68/58/359626858.db2.gz VAXUYNKBSIXHNX-UHFFFAOYSA-N -1 3 274.320 1.435 10 0 CDAEHM CNC(=O)c1ccc(CNCc2ncccc2[O-])cc1 ZINC000347813973 359633044 /nfs/dbraw/zinc/63/30/44/359633044.db2.gz YAKVDXHDMXLOHD-UHFFFAOYSA-N -1 3 271.320 1.437 10 0 CDAEHM COc1ccc(CNCc2ncccc2[O-])cc1O ZINC000347997253 359759702 /nfs/dbraw/zinc/75/97/02/359759702.db2.gz GTGJQVQUAGWJFL-UHFFFAOYSA-N -1 3 260.293 1.791 10 0 CDAEHM O=C(NC1CCN(c2cccnn2)CC1)c1cccc([O-])c1 ZINC000277661294 366572836 /nfs/dbraw/zinc/57/28/36/366572836.db2.gz VJECQVTUZJNZQS-UHFFFAOYSA-N -1 3 298.346 1.581 10 0 CDAEHM CN(C)c1nc(C(=O)N2CCC[C@H]3CCC[C@H]32)cc(=O)[n-]1 ZINC000408240636 359958223 /nfs/dbraw/zinc/95/82/23/359958223.db2.gz FAJKUWSKCINIRU-ZYHUDNBSSA-N -1 3 290.367 1.653 10 0 CDAEHM NC(=O)c1cccc(NC(=O)NCc2ncccc2[O-])c1 ZINC000348541466 360388288 /nfs/dbraw/zinc/38/82/88/360388288.db2.gz YKUMLACLOJVUOS-UHFFFAOYSA-N -1 3 286.291 1.208 10 0 CDAEHM COC(=O)[C@H](C)CS(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000177830703 189072462 /nfs/dbraw/zinc/07/24/62/189072462.db2.gz GTOPXBRLHYZAJV-MRVPVSSYSA-N -1 3 291.756 1.891 10 0 CDAEHM COc1nnc(NC(=O)[C@H](C)Cc2ccccc2F)[n-]1 ZINC000179366718 189188795 /nfs/dbraw/zinc/18/87/95/189188795.db2.gz GTYFXEXNJUGKFO-MRVPVSSYSA-N -1 3 278.287 1.770 10 0 CDAEHM COc1nc(NC(=O)[C@H](C)Cc2ccccc2F)n[n-]1 ZINC000179366718 189188796 /nfs/dbraw/zinc/18/87/96/189188796.db2.gz GTYFXEXNJUGKFO-MRVPVSSYSA-N -1 3 278.287 1.770 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H](C)Cc2ccccc2F)n1 ZINC000179366718 189188797 /nfs/dbraw/zinc/18/87/97/189188797.db2.gz GTYFXEXNJUGKFO-MRVPVSSYSA-N -1 3 278.287 1.770 10 0 CDAEHM COc1nnc(NC(=O)CCc2ccsc2)[n-]1 ZINC000179363231 189189055 /nfs/dbraw/zinc/18/90/55/189189055.db2.gz GZIRCFQEZNIJMP-UHFFFAOYSA-N -1 3 252.299 1.446 10 0 CDAEHM COc1nc(NC(=O)CCc2ccsc2)n[n-]1 ZINC000179363231 189189056 /nfs/dbraw/zinc/18/90/56/189189056.db2.gz GZIRCFQEZNIJMP-UHFFFAOYSA-N -1 3 252.299 1.446 10 0 CDAEHM COc1n[n-]c(NC(=O)CCc2ccsc2)n1 ZINC000179363231 189189057 /nfs/dbraw/zinc/18/90/57/189189057.db2.gz GZIRCFQEZNIJMP-UHFFFAOYSA-N -1 3 252.299 1.446 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCOC[C@H]2C)n1 ZINC000408445379 361042960 /nfs/dbraw/zinc/04/29/60/361042960.db2.gz XDYKIPSJYGBTOO-PSASIEDQSA-N -1 3 250.298 1.707 10 0 CDAEHM Cn1c2cc([O-])c(NC(=O)C34CC(C3)C4)cc2n(C)c1=O ZINC000627417492 361193338 /nfs/dbraw/zinc/19/33/38/361193338.db2.gz ZYPFSYCZEBXSDG-UHFFFAOYSA-N -1 3 287.319 1.321 10 0 CDAEHM COC(=O)c1cc(S(=O)(=O)[N-]CC[C@H](C)F)cs1 ZINC000339032879 361225843 /nfs/dbraw/zinc/22/58/43/361225843.db2.gz JYDBATZJAURFPO-ZETCQYMHSA-N -1 3 295.357 1.561 10 0 CDAEHM CCCCN(C)CCNC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000575120650 361260245 /nfs/dbraw/zinc/26/02/45/361260245.db2.gz CRRBVLBNAKAVMT-OLZOCXBDSA-N -1 3 299.415 1.471 10 0 CDAEHM O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000182074537 189313372 /nfs/dbraw/zinc/31/33/72/189313372.db2.gz OVZSUXGTZRIYGU-ZDUSSCGKSA-N -1 3 274.320 1.275 10 0 CDAEHM COCCN1CCN(C(=O)c2cccc([O-])c2)C[C@H]1C ZINC000182464554 189324780 /nfs/dbraw/zinc/32/47/80/189324780.db2.gz XJWHDITUHDQGQH-GFCCVEGCSA-N -1 3 278.352 1.185 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c1 ZINC000336584692 363781294 /nfs/dbraw/zinc/78/12/94/363781294.db2.gz MGTLKTNQMVQMMK-SECBINFHSA-N -1 3 293.339 1.759 10 0 CDAEHM CCCc1nc(=NC(=O)NCCN(CC)C2CC2)s[n-]1 ZINC000350906076 361408806 /nfs/dbraw/zinc/40/88/06/361408806.db2.gz YQMCOZZLEZMFAL-UHFFFAOYSA-N -1 3 297.428 1.518 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2cn[nH]c2)c1 ZINC000436689071 361557944 /nfs/dbraw/zinc/55/79/44/361557944.db2.gz NBKJPJUWEPGIEH-MRVPVSSYSA-N -1 3 288.307 1.565 10 0 CDAEHM Cc1cc(C(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)ccc1[O-] ZINC000436649547 361550997 /nfs/dbraw/zinc/55/09/97/361550997.db2.gz VFZKZMXEAIFORW-JTQLQIEISA-N -1 3 297.376 1.396 10 0 CDAEHM O=C(N[C@@H](CO)c1ccsc1)c1ccccc1[O-] ZINC000436913172 361608009 /nfs/dbraw/zinc/60/80/09/361608009.db2.gz IKDJXHSITVBVQF-NSHDSACASA-N -1 3 263.318 1.917 10 0 CDAEHM COCCN(C(=O)c1ccc([O-])c(OC)c1)[C@H]1CCOC1 ZINC000436838517 361587940 /nfs/dbraw/zinc/58/79/40/361587940.db2.gz RHQAIVYPBRPOEG-LBPRGKRZSA-N -1 3 295.335 1.278 10 0 CDAEHM CCCN(CC(N)=O)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436841817 361589583 /nfs/dbraw/zinc/58/95/83/361589583.db2.gz ZZCCRTQFVQVXFT-UHFFFAOYSA-N -1 3 290.363 1.609 10 0 CDAEHM O=C(c1ccc2n[n-]nc2c1)N1CCOC[C@H]1CC(F)F ZINC000286137550 239138738 /nfs/dbraw/zinc/13/87/38/239138738.db2.gz ADEBKYRRMSDUBC-SECBINFHSA-N -1 3 296.277 1.454 10 0 CDAEHM COC(=O)Cc1n[n-]c(NC(=O)Cc2ccc(C)s2)n1 ZINC000135170236 361698613 /nfs/dbraw/zinc/69/86/13/361698613.db2.gz PHABRTMOTPVOLH-UHFFFAOYSA-N -1 3 294.336 1.071 10 0 CDAEHM COC(=O)Cc1nnc(NC(=O)Cc2ccc(C)s2)[n-]1 ZINC000135170236 361698615 /nfs/dbraw/zinc/69/86/15/361698615.db2.gz PHABRTMOTPVOLH-UHFFFAOYSA-N -1 3 294.336 1.071 10 0 CDAEHM COC(=O)Cc1nc(NC(=O)Cc2ccc(C)s2)n[n-]1 ZINC000135170236 361698617 /nfs/dbraw/zinc/69/86/17/361698617.db2.gz PHABRTMOTPVOLH-UHFFFAOYSA-N -1 3 294.336 1.071 10 0 CDAEHM CC[C@H](NC(=O)c1ccc2c(c1[O-])CCCC2)C(=O)NC ZINC000457050514 363883052 /nfs/dbraw/zinc/88/30/52/363883052.db2.gz MLQUJIAZZNTBQC-ZDUSSCGKSA-N -1 3 290.363 1.525 10 0 CDAEHM C[C@@H](C(=O)[O-])[C@H](C)NCc1csc(N(C)C2CC2)n1 ZINC000572653739 363884922 /nfs/dbraw/zinc/88/49/22/363884922.db2.gz RABHTQAQQZJMQQ-BDAKNGLRSA-N -1 3 283.397 1.941 10 0 CDAEHM CO[C@@H]1CC[C@H](C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)C1 ZINC000636293828 363952148 /nfs/dbraw/zinc/95/21/48/363952148.db2.gz GFCQPSCZAATBSS-VHSXEESVSA-N -1 3 277.324 1.148 10 0 CDAEHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cccc2nonc21 ZINC000268892284 364109866 /nfs/dbraw/zinc/10/98/66/364109866.db2.gz URVSGPZOUMTGHG-JGVFFNPUSA-N -1 3 267.310 1.157 10 0 CDAEHM C[C@H]1CN(Cc2c(F)ccc([O-])c2F)CCN1CCO ZINC000352981617 364694339 /nfs/dbraw/zinc/69/43/39/364694339.db2.gz FGNOAVBLTQRPQT-JTQLQIEISA-N -1 3 286.322 1.169 10 0 CDAEHM Cc1nn(C)c(C)c1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352990534 364698784 /nfs/dbraw/zinc/69/87/84/364698784.db2.gz SGOYTMJAUHHJLE-NSHDSACASA-N -1 3 289.339 1.286 10 0 CDAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cscn2)c2nccn21 ZINC000563955457 364793807 /nfs/dbraw/zinc/79/38/07/364793807.db2.gz ZFJQSIQGIGEUJS-SFYZADRCSA-N -1 3 284.366 1.324 10 0 CDAEHM CCCN(C)S(=O)(=O)[N-]c1ccccc1-c1nc[nH]n1 ZINC000270796296 364762702 /nfs/dbraw/zinc/76/27/02/364762702.db2.gz MOPUDAJEQPRKNL-UHFFFAOYSA-N -1 3 295.368 1.470 10 0 CDAEHM COC(=O)CCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000471713773 364961649 /nfs/dbraw/zinc/96/16/49/364961649.db2.gz NQWCDROHXVMFFR-UHFFFAOYSA-N -1 3 273.288 1.838 10 0 CDAEHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000110050245 364995292 /nfs/dbraw/zinc/99/52/92/364995292.db2.gz BAOCWFYONCJCSX-WDEREUQCSA-N -1 3 295.383 1.259 10 0 CDAEHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000353377021 365169600 /nfs/dbraw/zinc/16/96/00/365169600.db2.gz CXAMWMJVDCKKQA-NSHDSACASA-N -1 3 289.401 1.387 10 0 CDAEHM O=C(NCC[C@H](O)C(F)(F)F)c1cccc([O-])c1 ZINC000357295758 366894537 /nfs/dbraw/zinc/89/45/37/366894537.db2.gz WZTKPZFKRVKRGQ-VIFPVBQESA-N -1 3 263.215 1.435 10 0 CDAEHM C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C1CCCC1 ZINC000172200225 365491048 /nfs/dbraw/zinc/49/10/48/365491048.db2.gz AESZCZHDHYIPSO-VIFPVBQESA-N -1 3 286.331 1.879 10 0 CDAEHM Cc1cccc(C(=O)N(C[C@H]2CCC(=O)N2)C(C)C)c1[O-] ZINC000414015228 241025137 /nfs/dbraw/zinc/02/51/37/241025137.db2.gz KLWBIYRPTRIIKU-GFCCVEGCSA-N -1 3 290.363 1.830 10 0 CDAEHM COc1cc(C(=O)N(C)CC(=O)NC(C)(C)C)ccc1[O-] ZINC000357598464 367089254 /nfs/dbraw/zinc/08/92/54/367089254.db2.gz VHHFCPXADZAPIT-UHFFFAOYSA-N -1 3 294.351 1.388 10 0 CDAEHM O=C(NCC1(C(F)(F)F)CC1)c1cc(=O)[n-]cn1 ZINC000627180342 367621382 /nfs/dbraw/zinc/62/13/82/367621382.db2.gz FSDDEZPUVMZMFX-UHFFFAOYSA-N -1 3 261.203 1.255 10 0 CDAEHM Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1cccc([O-])c1 ZINC000282414144 367873224 /nfs/dbraw/zinc/87/32/24/367873224.db2.gz 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O=C([O-])[C@H](NCc1cn[nH]c1)c1ccc2c(c1)CCO2 ZINC000901527990 624318805 /nfs/dbraw/zinc/31/88/05/624318805.db2.gz GESLPLTVBPIRHC-CYBMUJFWSA-N -1 3 273.292 1.260 10 0 CDAEHM Cc1ccc2ncc(CN3CC[C@@](O)(C(=O)[O-])C3)cc2c1 ZINC000903622139 626040105 /nfs/dbraw/zinc/04/01/05/626040105.db2.gz DBJQLGMSZYBCFS-INIZCTEOSA-N -1 3 286.331 1.565 10 0 CDAEHM Cn1ccc(-c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)n1 ZINC000904880492 626356680 /nfs/dbraw/zinc/35/66/80/626356680.db2.gz FQBXDXVOCZRFSM-UHFFFAOYSA-N -1 3 284.279 1.510 10 0 CDAEHM Cc1cccc([C@H](NC[C@H](O)C(F)(F)F)C(=O)[O-])c1C ZINC000905395913 626809668 /nfs/dbraw/zinc/80/96/68/626809668.db2.gz QCRKKVGELXWENC-QWRGUYRKSA-N -1 3 291.269 1.942 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)[C@@H](C)[C@H]2CCCO2)[n-]1 ZINC000907717099 627805349 /nfs/dbraw/zinc/80/53/49/627805349.db2.gz XIIKRJFXNUESTR-DTWKUNHWSA-N -1 3 281.312 1.340 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)[C@@H](C)[C@H]2CCCO2)c[n-]1 ZINC000907717099 627805352 /nfs/dbraw/zinc/80/53/52/627805352.db2.gz XIIKRJFXNUESTR-DTWKUNHWSA-N -1 3 281.312 1.340 10 0 CDAEHM O=C(NCCCCF)c1cnc(C2CC2)[n-]c1=O ZINC000908316712 628119998 /nfs/dbraw/zinc/11/99/98/628119998.db2.gz IATJASRMCHOSGI-UHFFFAOYSA-N -1 3 253.277 1.539 10 0 CDAEHM CN1C[C@H]2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])[C@@H]2C1 ZINC000911230389 629215307 /nfs/dbraw/zinc/21/53/07/629215307.db2.gz LXSMHSGLNBOWGM-FVCCEPFGSA-N -1 3 280.368 1.040 10 0 CDAEHM CN(CCN1CCCCC1)C(=O)c1cc(C(=O)[O-])co1 ZINC000911372465 629254752 /nfs/dbraw/zinc/25/47/52/629254752.db2.gz SNLQMBXBGPMLKD-UHFFFAOYSA-N -1 3 280.324 1.536 10 0 CDAEHM CCC(C)(C)C(=O)C(=O)NCc1nc(C)cc(=O)[n-]1 ZINC000911863255 629575279 /nfs/dbraw/zinc/57/52/79/629575279.db2.gz KSCPGIXSGMKEAA-UHFFFAOYSA-N -1 3 265.313 1.112 10 0 CDAEHM O=C([C@H](O)C1CCCCC1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911851240 629589659 /nfs/dbraw/zinc/58/96/59/629589659.db2.gz BTPLKDUEDOBOAM-BXUZGUMPSA-N -1 3 293.367 1.372 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N2CCNC(=O)CC2(C)C)c1 ZINC000913063234 630364043 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/nfs/dbraw/zinc/27/86/09/685278609.db2.gz CAHJZKNCMBGNIR-UHFFFAOYSA-N -1 3 280.259 1.603 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2cccc(OC)c2F)n1 ZINC000397439705 685278622 /nfs/dbraw/zinc/27/86/22/685278622.db2.gz CAHJZKNCMBGNIR-UHFFFAOYSA-N -1 3 280.259 1.603 10 0 CDAEHM O=C(CCc1c[nH]cn1)[N-]OCCCC(F)(F)F ZINC000871215278 685355139 /nfs/dbraw/zinc/35/51/39/685355139.db2.gz WGGJNBJCXAXTOQ-UHFFFAOYSA-N -1 3 265.235 1.733 10 0 CDAEHM COC(=O)[C@H]1CCCCN1Cc1nc(C)cc(=O)[n-]1 ZINC000700498161 686259868 /nfs/dbraw/zinc/25/98/68/686259868.db2.gz IBDCIZVQMKHXAJ-SNVBAGLBSA-N -1 3 265.313 1.018 10 0 CDAEHM C[C@@H]1CC[C@@H](O)CN1C(=O)c1nnc2ccccc2c1[O-] ZINC000844124604 685419184 /nfs/dbraw/zinc/41/91/84/685419184.db2.gz YTPJIZYNBGZBIR-NXEZZACHSA-N -1 3 287.319 1.321 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1C ZINC000866597712 685436551 /nfs/dbraw/zinc/43/65/51/685436551.db2.gz YCZUFCNJXSPHNJ-DINDLPBHSA-N -1 3 296.458 1.765 10 0 CDAEHM O=C([N-]OCCN1CCCC1=O)[C@]12C[C@H]1CCCC2 ZINC000869284247 685831670 /nfs/dbraw/zinc/83/16/70/685831670.db2.gz ZKMXYGQDBMRFLK-BXUZGUMPSA-N -1 3 266.341 1.237 10 0 CDAEHM CC[C@](C)([N-]S(=O)(=O)N=S1(=O)CCCC1)C1CC1 ZINC000867520779 685848147 /nfs/dbraw/zinc/84/81/47/685848147.db2.gz QEIBSKFSWRPPNZ-NSHDSACASA-N -1 3 294.442 1.661 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@]2(C)CCCOC2)o1 ZINC000334357053 684337717 /nfs/dbraw/zinc/33/77/17/684337717.db2.gz OXCXGBFMLNBHHJ-LLVKDONJSA-N -1 3 259.327 1.435 10 0 CDAEHM O=C(OCCO[C@H]1CC1(F)F)c1ccc([O-])cc1 ZINC000849626846 684375933 /nfs/dbraw/zinc/37/59/33/684375933.db2.gz BPAHHWGWDVCGBW-JTQLQIEISA-N -1 3 258.220 1.973 10 0 CDAEHM O=S(=O)([N-]C[C@H]1CCC12CCOCC2)c1ccco1 ZINC000867775998 684518824 /nfs/dbraw/zinc/51/88/24/684518824.db2.gz IYNWZEPHNZCQSN-LLVKDONJSA-N -1 3 285.365 1.765 10 0 CDAEHM Cc1ccnc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)n1 ZINC000352547559 684603978 /nfs/dbraw/zinc/60/39/78/684603978.db2.gz IFLVAGMUUNYJAV-UHFFFAOYSA-N -1 3 279.303 1.849 10 0 CDAEHM CC[C@H](C)CONC(=O)NCc1ncccc1[O-] ZINC000813830988 684688071 /nfs/dbraw/zinc/68/80/71/684688071.db2.gz JZOOETFOBPBMLW-VIFPVBQESA-N -1 3 253.302 1.564 10 0 CDAEHM CCOc1nnc(NC(=O)C[C@@H](C)C(F)(F)F)[n-]1 ZINC000705522520 684696472 /nfs/dbraw/zinc/69/64/72/684696472.db2.gz MHZXTUGHEIKHKR-RXMQYKEDSA-N -1 3 266.223 1.730 10 0 CDAEHM CCOc1nc(NC(=O)C[C@@H](C)C(F)(F)F)n[n-]1 ZINC000705522520 684696474 /nfs/dbraw/zinc/69/64/74/684696474.db2.gz MHZXTUGHEIKHKR-RXMQYKEDSA-N -1 3 266.223 1.730 10 0 CDAEHM CCOc1n[n-]c(NC(=O)C[C@@H](C)C(F)(F)F)n1 ZINC000705522520 684696477 /nfs/dbraw/zinc/69/64/77/684696477.db2.gz MHZXTUGHEIKHKR-RXMQYKEDSA-N -1 3 266.223 1.730 10 0 CDAEHM COC[C@@H](C[N-]S(=O)(=O)c1cscn1)C(C)C ZINC000921901827 684707526 /nfs/dbraw/zinc/70/75/26/684707526.db2.gz STKDBPRZUVKSCR-SECBINFHSA-N -1 3 278.399 1.340 10 0 CDAEHM O=C(c1cc([O-])c2ccccc2c1)N1C[C@H]2C[C@@]2(CO)C1 ZINC000792477827 684763845 /nfs/dbraw/zinc/76/38/45/684763845.db2.gz BNSJOFOHGKVALQ-DYVFJYSZSA-N -1 3 283.327 2.000 10 0 CDAEHM CCOc1nnc(NC(=O)C(F)(F)C(F)F)[n-]1 ZINC000233810208 684779847 /nfs/dbraw/zinc/77/98/47/684779847.db2.gz YBWOHELMTSFRTJ-UHFFFAOYSA-N -1 3 256.159 1.042 10 0 CDAEHM CCOc1nc(NC(=O)C(F)(F)C(F)F)n[n-]1 ZINC000233810208 684779850 /nfs/dbraw/zinc/77/98/50/684779850.db2.gz YBWOHELMTSFRTJ-UHFFFAOYSA-N -1 3 256.159 1.042 10 0 CDAEHM CCOc1n[n-]c(NC(=O)C(F)(F)C(F)F)n1 ZINC000233810208 684779858 /nfs/dbraw/zinc/77/98/58/684779858.db2.gz YBWOHELMTSFRTJ-UHFFFAOYSA-N -1 3 256.159 1.042 10 0 CDAEHM CSc1nc(NC(=O)C[C@H]2Cc3ccccc3O2)n[n-]1 ZINC000865059602 684812861 /nfs/dbraw/zinc/81/28/61/684812861.db2.gz HEPQCJLPUIDUON-SECBINFHSA-N -1 3 290.348 1.859 10 0 CDAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccco2)CCS1 ZINC000921713442 684882678 /nfs/dbraw/zinc/88/26/78/684882678.db2.gz XDGBEMJWLDUNLJ-BDAKNGLRSA-N -1 3 261.368 1.842 10 0 CDAEHM CCN(C[C@@H](C)C(=O)c1ccc([O-])cc1)[C@@H]1CCNC1=O ZINC000930325431 684896541 /nfs/dbraw/zinc/89/65/41/684896541.db2.gz OTEPJIYVLBCDQF-BXUZGUMPSA-N -1 3 290.363 1.421 10 0 CDAEHM CC(C)c1ccc(C(=O)N2CC3(C2)CNC(=O)O3)c([O-])c1 ZINC000817681275 684993354 /nfs/dbraw/zinc/99/33/54/684993354.db2.gz BKMRQPSNNZFXKA-UHFFFAOYSA-N -1 3 290.319 1.450 10 0 CDAEHM C[C@H](NCc1nc(=O)n(C)[n-]1)c1ccc2c(c1)CCCO2 ZINC000852781720 685019436 /nfs/dbraw/zinc/01/94/36/685019436.db2.gz PTKLUHOMMNMCLC-JTQLQIEISA-N -1 3 288.351 1.284 10 0 CDAEHM CCCn1nccc1NC([O-])=NOC(C)(C)C(=O)OCC ZINC000836230425 685034866 /nfs/dbraw/zinc/03/48/66/685034866.db2.gz SPSHINOYDNGYCV-UHFFFAOYSA-N -1 3 298.343 1.688 10 0 CDAEHM CCCn1nccc1NC(=O)[N-]OC(C)(C)C(=O)OCC ZINC000836230425 685034872 /nfs/dbraw/zinc/03/48/72/685034872.db2.gz SPSHINOYDNGYCV-UHFFFAOYSA-N -1 3 298.343 1.688 10 0 CDAEHM Cn1ncc(CNCc2ncccc2[O-])c1Cl ZINC000815138573 685038094 /nfs/dbraw/zinc/03/80/94/685038094.db2.gz XABKUJACELTEJI-UHFFFAOYSA-N -1 3 252.705 1.464 10 0 CDAEHM Cn1c(Cl)cnc1CNCc1ncccc1[O-] ZINC000799342527 685087686 /nfs/dbraw/zinc/08/76/86/685087686.db2.gz SVRJGNXNJWSLIZ-UHFFFAOYSA-N -1 3 252.705 1.464 10 0 CDAEHM 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280.259 1.358 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H](C)Oc2cccc(F)c2)n1 ZINC000158184091 188362485 /nfs/dbraw/zinc/36/24/85/188362485.db2.gz WBSYCAIVYXVDMT-ZETCQYMHSA-N -1 3 280.259 1.358 10 0 CDAEHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccoc1 ZINC000292686889 198376310 /nfs/dbraw/zinc/37/63/10/198376310.db2.gz CFBKONNHVLHUAV-UHFFFAOYSA-N -1 3 270.310 1.617 10 0 CDAEHM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1cn(CC)cn1)OC ZINC000451684422 363292564 /nfs/dbraw/zinc/29/25/64/363292564.db2.gz XLXUOKLBCDGLDZ-QWRGUYRKSA-N -1 3 289.401 1.242 10 0 CDAEHM C[C@H](NCc1nc(=O)[n-][nH]1)c1cccc(Cl)c1 ZINC000271728934 191295768 /nfs/dbraw/zinc/29/57/68/191295768.db2.gz SXVRKMRJXQBMEP-ZETCQYMHSA-N -1 3 252.705 1.602 10 0 CDAEHM COc1cc(=NC(=O)C2(C(F)(F)F)CCCC2)[n-]n1C ZINC000570144849 363387936 /nfs/dbraw/zinc/38/79/36/363387936.db2.gz YQRZJJVSYIMQHL-UHFFFAOYSA-N -1 3 291.273 1.912 10 0 CDAEHM CSCCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000134664791 356373010 /nfs/dbraw/zinc/37/30/10/356373010.db2.gz WWXXLFMHDFWZPA-UHFFFAOYSA-N -1 3 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CO[C@H](CS(=O)(=O)[N-]Cc1occc1C)C1CC1 ZINC000565361021 370427840 /nfs/dbraw/zinc/42/78/40/370427840.db2.gz YFUPZVUGHUBDMX-GFCCVEGCSA-N -1 3 273.354 1.432 10 0 CDAEHM CCc1cccc(C(=O)N2CC[C@@H](C(=O)NC)C2)c1[O-] ZINC000567625993 371071991 /nfs/dbraw/zinc/07/19/91/371071991.db2.gz XCFUGZJMWKQKFE-LLVKDONJSA-N -1 3 276.336 1.163 10 0 CDAEHM CC/C=C/C[N-]S(=O)(=O)c1cnccc1OCC ZINC000295284339 371193320 /nfs/dbraw/zinc/19/33/20/371193320.db2.gz GBXLVODLOWRTRU-AATRIKPKSA-N -1 3 270.354 1.725 10 0 CDAEHM Cc1cccc2cc(S(=O)(=O)[N-][C@H](C)CO)sc21 ZINC000645555384 371176408 /nfs/dbraw/zinc/17/64/08/371176408.db2.gz OUSMISATNHOLPP-SECBINFHSA-N -1 3 285.390 1.869 10 0 CDAEHM O=C(c1csc(=O)[n-]1)N1CC[C@H](OC(F)F)C1 ZINC000572620370 371260379 /nfs/dbraw/zinc/26/03/79/371260379.db2.gz FJFGRRPLJGAVEO-YFKPBYRVSA-N -1 3 264.253 1.302 10 0 CDAEHM C[C@H]1CCN(CC(=O)Nc2ccc([O-])cc2F)C1 ZINC000573105841 371424060 /nfs/dbraw/zinc/42/40/60/371424060.db2.gz FZQLQOAJTDJSPL-VIFPVBQESA-N -1 3 252.289 1.812 10 0 CDAEHM 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C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H]1NCCCC1(C)C ZINC000397036114 373107565 /nfs/dbraw/zinc/10/75/65/373107565.db2.gz CZLJIWWBXCUUFR-WOPDTQHZSA-N -1 3 282.384 1.476 10 0 CDAEHM O=c1cc(CN(Cc2cccs2)C2CC2)[nH]c(=O)[n-]1 ZINC000044908321 412810416 /nfs/dbraw/zinc/81/04/16/412810416.db2.gz HDGMHBZJGIQFAE-UHFFFAOYSA-N -1 3 277.349 1.289 10 0 CDAEHM Cc1cc(C(F)F)oc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000627313141 374206653 /nfs/dbraw/zinc/20/66/53/374206653.db2.gz WQBLBDLTIBVTIY-UHFFFAOYSA-N -1 3 299.277 1.912 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C)c1 ZINC000334291658 374791645 /nfs/dbraw/zinc/79/16/45/374791645.db2.gz LYUOCVHSFHJENU-NXEZZACHSA-N -1 3 257.359 1.370 10 0 CDAEHM O=C(c1cc([O-])ccc1Cl)N1CCN2CCC1CC2 ZINC000334319953 374894849 /nfs/dbraw/zinc/89/48/49/374894849.db2.gz YWSCVHOEKGPIDH-UHFFFAOYSA-N -1 3 280.755 1.966 10 0 CDAEHM Cc1cnc(C(=O)N2CCc3nc[nH]c3C2)c([O-])c1 ZINC000627369921 375228959 /nfs/dbraw/zinc/22/89/59/375228959.db2.gz HUDVOFMEFDQCGZ-UHFFFAOYSA-N -1 3 258.281 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/nfs/dbraw/zinc/90/41/65/376904165.db2.gz YUCYSBQVIMYLQF-UHFFFAOYSA-N -1 3 281.279 1.217 10 0 CDAEHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cnn1 ZINC000344839395 376904173 /nfs/dbraw/zinc/90/41/73/376904173.db2.gz YUCYSBQVIMYLQF-UHFFFAOYSA-N -1 3 281.279 1.217 10 0 CDAEHM CCc1cc(C[N-]S(=O)(=O)C[C@@H]2CCC2(F)F)on1 ZINC000632022499 376920626 /nfs/dbraw/zinc/92/06/26/376920626.db2.gz LMTPKKRHHSAACO-QMMMGPOBSA-N -1 3 294.323 1.702 10 0 CDAEHM Cc1cc(C)cc([C@H](C)NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000264727511 190131625 /nfs/dbraw/zinc/13/16/25/190131625.db2.gz DUQOYXBZIRJYFD-NSHDSACASA-N -1 3 289.335 1.032 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H](C)OCc2cccc(C)c2)n1 ZINC000632257600 377198764 /nfs/dbraw/zinc/19/87/64/377198764.db2.gz LJMLFKPOWHINCF-JTQLQIEISA-N -1 3 290.323 1.666 10 0 CDAEHM COc1nc(NC(=O)[C@H](C)OCc2cccc(C)c2)n[n-]1 ZINC000632257600 377198742 /nfs/dbraw/zinc/19/87/42/377198742.db2.gz LJMLFKPOWHINCF-JTQLQIEISA-N -1 3 290.323 1.666 10 0 CDAEHM COc1nnc(NC(=O)[C@H](C)OCc2cccc(C)c2)[n-]1 ZINC000632257600 377198753 /nfs/dbraw/zinc/19/87/53/377198753.db2.gz LJMLFKPOWHINCF-JTQLQIEISA-N -1 3 290.323 1.666 10 0 CDAEHM COC1(CS(=O)(=O)[N-]C[C@]2(O)CCC[C@H]2C)CCC1 ZINC000632373672 377356448 /nfs/dbraw/zinc/35/64/48/377356448.db2.gz CYFIDLQWIGDNOJ-DGCLKSJQSA-N -1 3 291.413 1.026 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@]2(C)CCO[C@@H]2C2CC2)o1 ZINC000334823920 377669324 /nfs/dbraw/zinc/66/93/24/377669324.db2.gz LTOXQLMFEJRFLT-CHWSQXEVSA-N -1 3 285.365 1.824 10 0 CDAEHM CCc1ccc(C(=O)NCC[C@@H](C)[S@](C)=O)c([O-])c1 ZINC000436833915 249464743 /nfs/dbraw/zinc/46/47/43/249464743.db2.gz KKTAGCUUDZMUAW-DGIBIBHMSA-N -1 3 283.393 1.842 10 0 CDAEHM C[C@@H]1CSC[C@H]1NC(=O)NCc1ncccc1[O-] ZINC000334945547 377761167 /nfs/dbraw/zinc/76/11/67/377761167.db2.gz SWANRVBJZUOXEP-PSASIEDQSA-N -1 3 267.354 1.338 10 0 CDAEHM CCC(C)(C)[C@H]1CCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000091076693 377849802 /nfs/dbraw/zinc/84/98/02/377849802.db2.gz BYGRTVYRBNUCML-VHSXEESVSA-N -1 3 281.356 1.012 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(=O)[nH]1)[C@H]1C[C@H]1C1CCCC1 ZINC000633520651 378510521 /nfs/dbraw/zinc/51/05/21/378510521.db2.gz JASLLUBFGIKDGP-QWRGUYRKSA-N -1 3 277.324 1.330 10 0 CDAEHM CC[C@@H](C)CCC(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633520952 378512191 /nfs/dbraw/zinc/51/21/91/378512191.db2.gz LZHSGGCBIOITNH-MRVPVSSYSA-N -1 3 253.302 1.330 10 0 CDAEHM CC(C)(C(=O)NCc1cc(=O)[n-]c(=O)[nH]1)C1CCCC1 ZINC000633521715 378513692 /nfs/dbraw/zinc/51/36/92/378513692.db2.gz UXCAONYRBOVRBE-UHFFFAOYSA-N -1 3 279.340 1.720 10 0 CDAEHM O=C(Nc1ccc([O-])cc1Cl)C1CS(=O)(=O)C1 ZINC000633604875 378575541 /nfs/dbraw/zinc/57/55/41/378575541.db2.gz SSVPXFWUGKKRNY-UHFFFAOYSA-N -1 3 275.713 1.029 10 0 CDAEHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1nccn1C ZINC000662098106 412891329 /nfs/dbraw/zinc/89/13/29/412891329.db2.gz FDVDFDFYUKDZJB-VIFPVBQESA-N -1 3 292.314 1.825 10 0 CDAEHM CSc1ccc([O-])c(C(=O)NCC[C@@H](O)C(F)F)c1 ZINC000634008086 378942655 /nfs/dbraw/zinc/94/26/55/378942655.db2.gz YTJQZLYXOADIMQ-SNVBAGLBSA-N -1 3 291.319 1.860 10 0 CDAEHM C[C@@H]1CCC[C@@H](C)N1CC[N-]S(=O)(=O)c1ccco1 ZINC000445718456 250226123 /nfs/dbraw/zinc/22/61/23/250226123.db2.gz RJNLJNRDNUCCCR-VXGBXAGGSA-N -1 3 286.397 1.821 10 0 CDAEHM C[C@H](O)CCCNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000447609232 250392914 /nfs/dbraw/zinc/39/29/14/250392914.db2.gz KGGYYYFMSJDZHV-JTQLQIEISA-N -1 3 293.363 1.997 10 0 CDAEHM CCc1ccc(C(=O)NC2CN(c3ccncn3)C2)c([O-])c1 ZINC000634453655 379563659 /nfs/dbraw/zinc/56/36/59/379563659.db2.gz PPJPFZSQRCWGLV-UHFFFAOYSA-N -1 3 298.346 1.363 10 0 CDAEHM C[C@@H]1CCCCN1CCN=c1[n-]nc(C2CC2)o1 ZINC000341536895 296311458 /nfs/dbraw/zinc/31/14/58/296311458.db2.gz RNKRMSMOCUDJHL-SNVBAGLBSA-N -1 3 250.346 1.655 10 0 CDAEHM CC[C@H](C(=O)[O-])N(C)C(=O)c1cccc(CN(C)C)c1 ZINC000653342697 412935694 /nfs/dbraw/zinc/93/56/94/412935694.db2.gz DYAOEVKVKTVLSC-CYBMUJFWSA-N -1 3 278.352 1.683 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-]C2CC(C)(C)C2)nc1C ZINC000660129342 412946129 /nfs/dbraw/zinc/94/61/29/412946129.db2.gz UTBXLPSGZCHWJB-UHFFFAOYSA-N -1 3 271.386 1.678 10 0 CDAEHM CC[C@@H]1CCC[C@H]1CN=c1[n-]c(C(N)=O)cs1 ZINC000450659165 251393215 /nfs/dbraw/zinc/39/32/15/251393215.db2.gz GQYBGAVRCKUBJE-BDAKNGLRSA-N -1 3 253.371 1.902 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]Cc2occc2C)c1 ZINC000490334660 253035560 /nfs/dbraw/zinc/03/55/60/253035560.db2.gz HDOWPUDWHHYWTI-UHFFFAOYSA-N -1 3 269.326 1.283 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC2(O)CCC(C)CC2)o1 ZINC000660178357 412980300 /nfs/dbraw/zinc/98/03/00/412980300.db2.gz QRMFWFKFXVJDNJ-UHFFFAOYSA-N -1 3 287.381 1.808 10 0 CDAEHM O=C1CN(Cc2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)C(=O)[N-]1 ZINC000656047701 413008161 /nfs/dbraw/zinc/00/81/61/413008161.db2.gz QMZJESDUOGKRDQ-DJLDLDEBSA-N -1 3 276.296 1.025 10 0 CDAEHM O=C([N-]c1nncn1C1CC1)c1cnc(Cl)cn1 ZINC000288129544 197010611 /nfs/dbraw/zinc/01/06/11/197010611.db2.gz LAHODCXFUNCMEP-UHFFFAOYSA-N -1 3 264.676 1.309 10 0 CDAEHM CCCC1CCC(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000048926284 390243361 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257.183 1.121 10 0 CDAEHM NC(=O)c1ccc(C(=O)Nc2cc(F)ccc2[O-])[nH]1 ZINC001624552471 1165848686 /nfs/dbraw/zinc/84/86/86/1165848686.db2.gz BRJFQVRZOGTRGI-UHFFFAOYSA-N -1 3 263.228 1.211 10 0 CDAEHM Nc1nc(Cl)ccc1C(=O)Nc1ncccc1[O-] ZINC001632727316 1166371168 /nfs/dbraw/zinc/37/11/68/1166371168.db2.gz QRBDKKXJOPMGPE-UHFFFAOYSA-N -1 3 264.672 1.670 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cccc(Cl)c1N ZINC001635079225 1166559774 /nfs/dbraw/zinc/55/97/74/1166559774.db2.gz KHNFFVFMFTZDHT-UHFFFAOYSA-N -1 3 294.698 1.684 10 0 CDAEHM CC(C)(C)OC(=O)NOCC(=O)Nc1ncccc1[O-] ZINC001638380307 1166842168 /nfs/dbraw/zinc/84/21/68/1166842168.db2.gz ODPHVGCSWNKSMC-UHFFFAOYSA-N -1 3 283.284 1.182 10 0 CDAEHM Cc1cccc([O-])c1C(=O)NCCNc1ncccn1 ZINC001639680413 1166961840 /nfs/dbraw/zinc/96/18/40/1166961840.db2.gz NCQLTRXOGYQLQC-UHFFFAOYSA-N -1 3 272.308 1.333 10 0 CDAEHM O=C([O-])CC1(C(=O)Nc2cnc3c(c2)CNCC3)CCC1 ZINC001645928016 1167571136 /nfs/dbraw/zinc/57/11/36/1167571136.db2.gz DZQBTUCNJMPVJL-UHFFFAOYSA-N 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Cc1nnc([C@@H](C)[N-]C(=O)C(F)(F)C2CCOCC2)o1 ZINC001771669660 1186793250 /nfs/dbraw/zinc/79/32/50/1186793250.db2.gz VXLQFTKRCXYOMB-SSDOTTSWSA-N -1 3 289.282 1.617 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cc3c(cc2[O-])OCO3)CCC1=O ZINC000436923980 723090473 /nfs/dbraw/zinc/09/04/73/723090473.db2.gz FGLKEBUMEXMUPQ-MRVPVSSYSA-N -1 3 277.276 1.172 10 0 CDAEHM C[C@@]12COC[C@H]1CN(C(=O)c1nnc3ccccc3c1[O-])C2 ZINC000855838854 723182094 /nfs/dbraw/zinc/18/20/94/723182094.db2.gz RKFXVCHALGVARN-QLJPJBMISA-N -1 3 299.330 1.444 10 0 CDAEHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCc2[nH]cnc2C1 ZINC000929081656 723197765 /nfs/dbraw/zinc/19/77/65/723197765.db2.gz QUZRAZXXSYPWNI-UHFFFAOYSA-N -1 3 294.314 1.450 10 0 CDAEHM CCCO[N-]C(=O)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000844084302 723322178 /nfs/dbraw/zinc/32/21/78/723322178.db2.gz KOJQNLZLQXXQKG-UHFFFAOYSA-N -1 3 285.365 1.481 10 0 CDAEHM C[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000158800579 723361928 /nfs/dbraw/zinc/36/19/28/723361928.db2.gz KXRSTJPJARDCFX-YUMQZZPRSA-N -1 3 278.761 1.030 10 0 CDAEHM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cccnc1F ZINC000717064273 723443464 /nfs/dbraw/zinc/44/34/64/723443464.db2.gz LJCJFAKXPDXYOJ-ZNSHCXBVSA-N -1 3 284.356 1.791 10 0 CDAEHM CC(C)Oc1cccnc1C(=O)NN=c1cccn[n-]1 ZINC000080029077 723399156 /nfs/dbraw/zinc/39/91/56/723399156.db2.gz BDBRHDBLUKRYOK-UHFFFAOYSA-N -1 3 273.296 1.416 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCCN(C(=O)C(F)F)CC1 ZINC000939939324 723559055 /nfs/dbraw/zinc/55/90/55/723559055.db2.gz GDYWCVHTBZGYIR-UHFFFAOYSA-N -1 3 298.289 1.332 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCO[C@@H](C(F)F)C1 ZINC000801010324 723551466 /nfs/dbraw/zinc/55/14/66/723551466.db2.gz UFDZUUCOGQAAAP-SNVBAGLBSA-N -1 3 273.235 1.204 10 0 CDAEHM CC1(C)CO[C@@H](CNC(=O)c2c([O-])cccc2O)C1 ZINC000717512967 723613257 /nfs/dbraw/zinc/61/32/57/723613257.db2.gz OXGOQFKMUOKPNU-SECBINFHSA-N -1 3 265.309 1.643 10 0 CDAEHM O=C(Nc1c[nH]nn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000791231058 723683238 /nfs/dbraw/zinc/68/32/38/723683238.db2.gz WHMWWHHHBCTKMC-UHFFFAOYSA-N -1 3 272.186 1.781 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC2(C)C)nn1 ZINC000866779333 723683448 /nfs/dbraw/zinc/68/34/48/723683448.db2.gz LFYQDBLQHZBMAC-SECBINFHSA-N -1 3 255.343 1.109 10 0 CDAEHM COC1(C(=O)OCc2noc(-c3ccccc3[O-])n2)CC1 ZINC000830833172 723691683 /nfs/dbraw/zinc/69/16/83/723691683.db2.gz YNXJLRWFHZFWAD-UHFFFAOYSA-N -1 3 290.275 1.664 10 0 CDAEHM COCCO[N-]C(=O)Cc1coc2c1ccc(OC)c2C ZINC000866354975 723454666 /nfs/dbraw/zinc/45/46/66/723454666.db2.gz QKIQTYZCSQSEEP-UHFFFAOYSA-N -1 3 293.319 1.987 10 0 CDAEHM CCN(Cc1nc(C)cc(=O)[n-]1)[C@@H]1CCCOC1 ZINC000844403996 723486968 /nfs/dbraw/zinc/48/69/68/723486968.db2.gz ISIFTCXKXLKNEC-LLVKDONJSA-N -1 3 251.330 1.492 10 0 CDAEHM O=C(N[C@H]1Cc2ccc(Cl)cc2C1)c1cn[n-]n1 ZINC000800580803 723515360 /nfs/dbraw/zinc/51/53/60/723515360.db2.gz VCZJJROUZWZNQX-JTQLQIEISA-N -1 3 262.700 1.355 10 0 CDAEHM CC(=O)c1cccc(NC(=O)[C@@H]2CCNC(=O)CC2)c1[O-] ZINC000843889669 723643833 /nfs/dbraw/zinc/64/38/33/723643833.db2.gz PFMOTWGTZQRIJM-JTQLQIEISA-N -1 3 290.319 1.450 10 0 CDAEHM COC(=O)C[C@@](C)([N-]C(=O)C(F)(F)C(F)F)C1CC1 ZINC000871235208 1165280806 /nfs/dbraw/zinc/28/08/06/1165280806.db2.gz PVJRLMSZTDUYQL-SNVBAGLBSA-N -1 3 285.237 1.735 10 0 CDAEHM O=C(NCCc1ccc(F)c(F)c1F)c1cnncc1[O-] ZINC001631501686 1166282420 /nfs/dbraw/zinc/28/24/20/1166282420.db2.gz MRRWNRKIGJGMTO-UHFFFAOYSA-N -1 3 297.236 1.572 10 0 CDAEHM O=C(Cc1c[nH]cn1)Nc1ccc([O-])c(Cl)c1 ZINC001632211082 1166337715 /nfs/dbraw/zinc/33/77/15/1166337715.db2.gz RPJHEUAFFPRIBT-UHFFFAOYSA-N -1 3 251.673 1.950 10 0 CDAEHM CC(C)c1cnc(CNC[C@@H]2CCO[C@@H]2C(=O)[O-])s1 ZINC001647411788 1168659546 /nfs/dbraw/zinc/65/95/46/1168659546.db2.gz UDDDDMZMRJHOHX-CABZTGNLSA-N -1 3 284.381 1.846 10 0 CDAEHM C[C@H](CCNC(=O)/C=C/C(C)(C)C)NCc1n[nH]c(=O)[n-]1 ZINC001267122044 896853654 /nfs/dbraw/zinc/85/36/54/896853654.db2.gz GJDFFLDMPMSFTG-BREXMAIKSA-N -1 3 295.387 1.097 10 0 CDAEHM C[C@@]1([N-]S(=O)(=O)c2cccnc2F)CCCOC1 ZINC000401894184 901931153 /nfs/dbraw/zinc/93/11/53/901931153.db2.gz VHWKLLTYHVQVNX-LLVKDONJSA-N -1 3 274.317 1.068 10 0 CDAEHM CCOc1nnc(NC(=O)c2c(C)oc(C)c2C)[n-]1 ZINC000228783381 911970681 /nfs/dbraw/zinc/97/06/81/911970681.db2.gz WLBOQKCKYCKKBC-UHFFFAOYSA-N -1 3 264.285 1.974 10 0 CDAEHM CCOc1nc(NC(=O)c2c(C)oc(C)c2C)n[n-]1 ZINC000228783381 911970704 /nfs/dbraw/zinc/97/07/04/911970704.db2.gz WLBOQKCKYCKKBC-UHFFFAOYSA-N -1 3 264.285 1.974 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2c(C)oc(C)c2C)n1 ZINC000228783381 911970720 /nfs/dbraw/zinc/97/07/20/911970720.db2.gz WLBOQKCKYCKKBC-UHFFFAOYSA-N -1 3 264.285 1.974 10 0 CDAEHM CCS(=O)(CC)=NS(=O)(=O)[N-]CCC1CC=CC1 ZINC000921618921 919192345 /nfs/dbraw/zinc/19/23/45/919192345.db2.gz BBCXQUKBSRCXIY-UHFFFAOYSA-N -1 3 294.442 1.685 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2cccnn2)c1 ZINC001139239104 936610993 /nfs/dbraw/zinc/61/09/93/936610993.db2.gz GZVTZIMSBBYFLG-UHFFFAOYSA-N -1 3 298.302 1.237 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](C)C2)nn1 ZINC000867214675 925017728 /nfs/dbraw/zinc/01/77/28/925017728.db2.gz HKWVDWCLDQYOEL-GXSJLCMTSA-N -1 3 269.370 1.500 10 0 CDAEHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1cccnc1F)OC ZINC000401827919 937015586 /nfs/dbraw/zinc/01/55/86/937015586.db2.gz HEKPARGZSZINJR-VHSXEESVSA-N -1 3 290.360 1.560 10 0 CDAEHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1ccc(C)nn1)OC ZINC000867329813 925859248 /nfs/dbraw/zinc/85/92/48/925859248.db2.gz MIZWCWVBAWZRAO-KOLCDFICSA-N -1 3 287.385 1.124 10 0 CDAEHM C/C=C(/C)C(=O)N[C@@H](C)CN(C)C(=O)c1ccccc1[O-] ZINC001487711160 926024894 /nfs/dbraw/zinc/02/48/94/926024894.db2.gz CTNDVHCTGOEMMJ-QJGQKNTRSA-N -1 3 290.363 1.935 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@]2(C)C(C)C)nn1 ZINC000867385871 926261963 /nfs/dbraw/zinc/26/19/63/926261963.db2.gz OUQZGPWFAHIASO-CMPLNLGQSA-N -1 3 269.370 1.498 10 0 CDAEHM Cc1cncc(CC[N-]C(=O)C(F)(F)C(F)F)n1 ZINC000855952073 928517725 /nfs/dbraw/zinc/51/77/25/928517725.db2.gz XVMOTCJSMSBKAX-UHFFFAOYSA-N -1 3 265.210 1.344 10 0 CDAEHM CCOc1nnc(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)[n-]1 ZINC000717221596 930288530 /nfs/dbraw/zinc/28/85/30/930288530.db2.gz YZPBYBNYTGDTDP-RBXMUDONSA-N -1 3 250.302 1.434 10 0 CDAEHM CCOc1nc(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)n[n-]1 ZINC000717221596 930288540 /nfs/dbraw/zinc/28/85/40/930288540.db2.gz YZPBYBNYTGDTDP-RBXMUDONSA-N -1 3 250.302 1.434 10 0 CDAEHM CCOc1n[n-]c(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)n1 ZINC000717221596 930288548 /nfs/dbraw/zinc/28/85/48/930288548.db2.gz YZPBYBNYTGDTDP-RBXMUDONSA-N -1 3 250.302 1.434 10 0 CDAEHM CSCCO[N-]C(=O)[C@H]1CCc2nnc(C3CC3)n2C1 ZINC000816547073 930306384 /nfs/dbraw/zinc/30/63/84/930306384.db2.gz IUJCTGNEJVHOPX-JTQLQIEISA-N -1 3 296.396 1.129 10 0 CDAEHM COC1(CS(=O)(=O)[N-]Cc2ncc(C)o2)CCCC1 ZINC000820793763 930970173 /nfs/dbraw/zinc/97/01/73/930970173.db2.gz HCFHZGVEGANNHS-UHFFFAOYSA-N -1 3 288.369 1.362 10 0 CDAEHM CCN1CCCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC001144387278 931790625 /nfs/dbraw/zinc/79/06/25/931790625.db2.gz DNEXHHYUAUVFOE-UHFFFAOYSA-N -1 3 276.336 1.129 10 0 CDAEHM C[C@]1(NC(=O)c2ccc([O-])cn2)CN2CCC1CC2 ZINC001146874483 932350631 /nfs/dbraw/zinc/35/06/31/932350631.db2.gz SJRAGSASUBANOL-AWEZNQCLSA-N -1 3 261.325 1.001 10 0 CDAEHM CC(C)OC(=O)c1cc(NC(=O)CCn2cccn2)[n-]n1 ZINC001412710250 932655832 /nfs/dbraw/zinc/65/58/32/932655832.db2.gz XBFQGRZUMFOTIE-UHFFFAOYSA-N -1 3 291.311 1.200 10 0 CDAEHM CC(C)OC(=O)c1cc(NC(=O)CCn2cccn2)n[n-]1 ZINC001412710250 932655833 /nfs/dbraw/zinc/65/58/33/932655833.db2.gz XBFQGRZUMFOTIE-UHFFFAOYSA-N -1 3 291.311 1.200 10 0 CDAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)/C=C\C3CC3)CC2)n1 ZINC000924298959 932782153 /nfs/dbraw/zinc/78/21/53/932782153.db2.gz QRGPDWMBDANSOF-PLNGDYQASA-N -1 3 288.351 1.105 10 0 CDAEHM CO[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000930687599 933432785 /nfs/dbraw/zinc/43/27/85/933432785.db2.gz NAXSVARUIFVBOY-CHWSQXEVSA-N -1 3 299.330 1.719 10 0 CDAEHM Cc1nnsc1[C@@H](C)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931311148 933536167 /nfs/dbraw/zinc/53/61/67/933536167.db2.gz FKRNBIVKXHGWFZ-SSDOTTSWSA-N -1 3 277.353 1.727 10 0 CDAEHM O=C(NN1C[C@H]2CCC[C@@H]2C1)c1c[n-]c2ccccc2c1=O ZINC001412832272 934746552 /nfs/dbraw/zinc/74/65/52/934746552.db2.gz LUGALBVZOJUBKR-VXGBXAGGSA-N -1 3 297.358 1.905 10 0 CDAEHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2cccnc2F)O1 ZINC000688957393 934756650 /nfs/dbraw/zinc/75/66/50/934756650.db2.gz IOVGNLNVYWNHIQ-VHSXEESVSA-N -1 3 288.344 1.457 10 0 CDAEHM Cc1oc(C(=O)[O-])cc1C(=O)NCCN1CCCC1 ZINC000689098835 934773202 /nfs/dbraw/zinc/77/32/02/934773202.db2.gz BSWABLVRPPBGIJ-UHFFFAOYSA-N -1 3 266.297 1.112 10 0 CDAEHM O=C([N-]OCC(F)(F)F)[C@@H]1Cc2cccnc2C1 ZINC001123761056 936215245 /nfs/dbraw/zinc/21/52/45/936215245.db2.gz QLXNKELIZWINRH-MRVPVSSYSA-N -1 3 260.215 1.407 10 0 CDAEHM C[C@@H](CCCCO)[N-]S(=O)(=O)c1cccnc1F ZINC000401803281 940880600 /nfs/dbraw/zinc/88/06/00/940880600.db2.gz AKRNBKXEWJMBDI-VIFPVBQESA-N -1 3 276.333 1.050 10 0 CDAEHM C[C@@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1cccnc1F ZINC000401844327 940882952 /nfs/dbraw/zinc/88/29/52/940882952.db2.gz ACPCKUFPTRDVSZ-KWQFWETISA-N -1 3 274.317 1.067 10 0 CDAEHM CSC1(C[N-]S(=O)(=O)c2cccnc2F)CC1 ZINC000401959461 940886216 /nfs/dbraw/zinc/88/62/16/940886216.db2.gz UIWQPRPCQZKOGT-UHFFFAOYSA-N -1 3 276.358 1.395 10 0 CDAEHM COc1cccc([O-])c1C(=O)N[C@H]1CCCOC1 ZINC000405292337 940980172 /nfs/dbraw/zinc/98/01/72/940980172.db2.gz LBSGUVJWSJEZEV-VIFPVBQESA-N -1 3 251.282 1.310 10 0 CDAEHM Cc1ccnc(C(=O)[N-]c2ccnc(F)c2F)n1 ZINC001279949535 942411068 /nfs/dbraw/zinc/41/10/68/942411068.db2.gz FNLHONZMHIDKAZ-UHFFFAOYSA-N -1 3 250.208 1.711 10 0 CDAEHM CCCCCCC(=O)N[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001525543311 970969073 /nfs/dbraw/zinc/96/90/73/970969073.db2.gz VPHAJUDTQTYXBZ-PHIMTYICSA-N -1 3 293.371 1.152 10 0 CDAEHM COC(=O)c1oc(C(=O)Nc2ncccc2[O-])cc1C ZINC001362343190 971173978 /nfs/dbraw/zinc/17/39/78/971173978.db2.gz PPIAYGCDRGKRJX-UHFFFAOYSA-N -1 3 276.248 1.728 10 0 CDAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H](C)C(C)(C)C ZINC001261527299 946160249 /nfs/dbraw/zinc/16/02/49/946160249.db2.gz MUXRSNFPVCJRKP-SNVBAGLBSA-N -1 3 265.357 1.974 10 0 CDAEHM Cc1ccnc(C(=O)[N-]c2nnc(-c3ccncc3)s2)n1 ZINC001256278755 948263381 /nfs/dbraw/zinc/26/33/81/948263381.db2.gz IXIKZUKYFSVXBD-UHFFFAOYSA-N -1 3 298.331 1.951 10 0 CDAEHM O=C(N[C@@H]1C[C@H]1[C@@H]1CCCO1)c1cccc2n[n-]nc21 ZINC001362636831 971481478 /nfs/dbraw/zinc/48/14/78/971481478.db2.gz KMFDTMKRNRGYTA-JLLWLGSASA-N -1 3 272.308 1.255 10 0 CDAEHM O=C(N[C@@H]1C[C@H]1[C@H]1CCCO1)c1nnc2ccccc2c1[O-] ZINC001362978283 971780649 /nfs/dbraw/zinc/78/06/49/971780649.db2.gz DVAKKLJOPUOJFA-RAIGVLPGSA-N -1 3 299.330 1.633 10 0 CDAEHM COC(=O)c1ncoc1CNC(=O)c1ccccc1[O-] ZINC001363543582 953434266 /nfs/dbraw/zinc/43/42/66/953434266.db2.gz QFUOKHVAKZUIAM-UHFFFAOYSA-N -1 3 276.248 1.097 10 0 CDAEHM C[C@@H](NC(=O)CC(F)(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001363650853 953605940 /nfs/dbraw/zinc/60/59/40/953605940.db2.gz ZQMQOKYGUJPZAJ-GSVOUGTGSA-N -1 3 290.167 1.953 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCOC[C@@H]2c2cccn2C)n1 ZINC001363789619 953794850 /nfs/dbraw/zinc/79/48/50/953794850.db2.gz LPUSQRGZVAHMGY-CYBMUJFWSA-N -1 3 288.351 1.403 10 0 CDAEHM Cc1cnc(F)c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC001289108044 953970769 /nfs/dbraw/zinc/97/07/69/953970769.db2.gz SPMUMOUXEUFCHT-UHFFFAOYSA-N -1 3 289.192 1.918 10 0 CDAEHM Cc1cnc(F)c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC001289108044 953970773 /nfs/dbraw/zinc/97/07/73/953970773.db2.gz SPMUMOUXEUFCHT-UHFFFAOYSA-N -1 3 289.192 1.918 10 0 CDAEHM C[C@@H]1CC(=O)NN1C(=O)c1cc([O-])ccc1Cl ZINC001290609814 954060159 /nfs/dbraw/zinc/06/01/59/954060159.db2.gz NSWDYVZXIIZNNU-ZCFIWIBFSA-N -1 3 254.673 1.311 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1CCCOC1 ZINC001363981426 954096315 /nfs/dbraw/zinc/09/63/15/954096315.db2.gz ZPLKAKVGRGUHBP-SNVBAGLBSA-N -1 3 277.324 1.102 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(F)s1 ZINC001292969870 954276059 /nfs/dbraw/zinc/27/60/59/954276059.db2.gz PRSDWZJEOYVKFE-ZETCQYMHSA-N -1 3 269.301 1.129 10 0 CDAEHM Cc1nccnc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001364289487 954428511 /nfs/dbraw/zinc/42/85/11/954428511.db2.gz SCYRBADPDMENEC-UHFFFAOYSA-N -1 3 299.334 1.478 10 0 CDAEHM CCn1ncc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)n1 ZINC001298306392 955168887 /nfs/dbraw/zinc/16/88/87/955168887.db2.gz GZGNWMLWPOWUFT-UHFFFAOYSA-N -1 3 272.268 1.132 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCC[C@]2(CO)c2ccccc2)n1 ZINC001365340831 955923619 /nfs/dbraw/zinc/92/36/19/955923619.db2.gz HNAOZRGGTWMFDX-KRWDZBQOSA-N -1 3 299.374 1.974 10 0 CDAEHM O=C([O-])c1cc(CN2CCC[C@H]3COCC[C@H]32)on1 ZINC001331983002 957380970 /nfs/dbraw/zinc/38/09/70/957380970.db2.gz BHVVHMDMAYEZCS-JOYOIKCWSA-N -1 3 266.297 1.374 10 0 CDAEHM Cn1ccnc1CNCC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001334828949 959394579 /nfs/dbraw/zinc/39/45/79/959394579.db2.gz SXFADCRXTYHEFJ-AWEZNQCLSA-N -1 3 287.363 1.843 10 0 CDAEHM CC(=O)CCCCCCNC(=O)c1cnncc1[O-] ZINC001335998303 960145634 /nfs/dbraw/zinc/14/56/34/960145634.db2.gz BNDNHOZTJLTXCA-UHFFFAOYSA-N -1 3 265.313 1.452 10 0 CDAEHM O=C(Nc1cccc([O-])c1F)c1cnc2n1CCOC2 ZINC001433821651 960655762 /nfs/dbraw/zinc/65/57/62/960655762.db2.gz BYOJKSVBZZWEGU-UHFFFAOYSA-N -1 3 277.255 1.510 10 0 CDAEHM Cc1ccc(CC(=O)[N-]OCc2cn(C(C)C)nn2)cc1 ZINC001324357363 961331950 /nfs/dbraw/zinc/33/19/50/961331950.db2.gz NIMVNYWCYIXWPX-UHFFFAOYSA-N -1 3 288.351 1.958 10 0 CDAEHM CCCC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001436962226 962529816 /nfs/dbraw/zinc/52/98/16/962529816.db2.gz CWYIMJVMJXYPFC-AOOOYVTPSA-N -1 3 295.387 1.073 10 0 CDAEHM O=Cc1cc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)co1 ZINC001556722721 965090189 /nfs/dbraw/zinc/09/01/89/965090189.db2.gz AGFKSCXQSVZBQG-UHFFFAOYSA-N -1 3 271.232 1.926 10 0 CDAEHM O=C(NCCNc1nccnc1F)c1ccc([O-])cc1 ZINC001559072244 965398517 /nfs/dbraw/zinc/39/85/17/965398517.db2.gz UNBHRGVLMJQRNC-UHFFFAOYSA-N -1 3 276.271 1.163 10 0 CDAEHM O=C([O-])[C@@H]1CC=C[C@@H](NCc2cccc3c2OCO3)C1 ZINC001350652520 966726763 /nfs/dbraw/zinc/72/67/63/966726763.db2.gz IPQBXBLKEXJUPT-ZYHUDNBSSA-N -1 3 275.304 1.924 10 0 CDAEHM CC(=O)[C@@H](C)SCc1nc2c(c(=O)[n-]1)COCC2 ZINC001351780969 966997271 /nfs/dbraw/zinc/99/72/71/966997271.db2.gz ITGQGTUQEXBPTN-MRVPVSSYSA-N -1 3 268.338 1.466 10 0 CDAEHM CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001455757191 968797918 /nfs/dbraw/zinc/79/79/18/968797918.db2.gz XAISPOVOPFHNSK-GRYCIOLGSA-N -1 3 290.367 1.232 10 0 CDAEHM O=c1cc(CNc2ncc(F)cn2)nc(C2CC2)[n-]1 ZINC001458598837 969319670 /nfs/dbraw/zinc/31/96/70/969319670.db2.gz GWQMTRIMMNQZPR-UHFFFAOYSA-N -1 3 261.260 1.601 10 0 CDAEHM O=C([N-]c1nc2cnccn2n1)c1nccc2cccnc21 ZINC001532153000 969326146 /nfs/dbraw/zinc/32/61/46/969326146.db2.gz NFSPRZJRVSPVKA-UHFFFAOYSA-N -1 3 291.274 1.320 10 0 CDAEHM CC(C)CC(=O)NC/C=C\CNC(=O)c1ccccc1[O-] ZINC001357514871 969612971 /nfs/dbraw/zinc/61/29/71/969612971.db2.gz QAMWBJQMDQBEOP-WAYWQWQTSA-N -1 3 290.363 1.841 10 0 CDAEHM Cc1cc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cnn1 ZINC001468311707 970150458 /nfs/dbraw/zinc/15/04/58/970150458.db2.gz 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298.368 1.295 10 0 CDAEHM COC(=O)[C@]1(OC)CCN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000600296219 342049286 /nfs/dbraw/zinc/04/92/86/342049286.db2.gz YZBLOPZPFXJLTO-HNNXBMFYSA-N -1 3 293.319 1.105 10 0 CDAEHM Cn1cnnc1[C@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000273069684 192035953 /nfs/dbraw/zinc/03/59/53/192035953.db2.gz ZVKJIUNMWRIYFR-GFCCVEGCSA-N -1 3 272.308 1.498 10 0 CDAEHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ncon1 ZINC000479587615 365606356 /nfs/dbraw/zinc/60/63/56/365606356.db2.gz IDZNNGCPTATNRD-QMMMGPOBSA-N -1 3 284.275 1.402 10 0 CDAEHM O=S(=O)(CC1CC1)[N-]C[C@@H](n1cccn1)C(F)(F)F ZINC000625332823 342082486 /nfs/dbraw/zinc/08/24/86/342082486.db2.gz ZTORPHVRLNCLSO-SECBINFHSA-N -1 3 297.302 1.316 10 0 CDAEHM CCO[N-]C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000173023308 365653656 /nfs/dbraw/zinc/65/36/56/365653656.db2.gz WJUUDDMHIPNBEN-GHMZBOCLSA-N -1 3 263.293 1.629 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCC2(CC1)OCCO2 ZINC000125416906 187183286 /nfs/dbraw/zinc/18/32/86/187183286.db2.gz 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CN1CCCC(C)(C)[C@@H]1CNC(=O)N=c1[n-]ncs1 ZINC000562616920 293158619 /nfs/dbraw/zinc/15/86/19/293158619.db2.gz WEBWRLBPCXNAAO-VIFPVBQESA-N -1 3 283.401 1.202 10 0 CDAEHM Cc1ccc([O-])c(CN2CCC([C@H](C)O)CC2)n1 ZINC000092969527 342420937 /nfs/dbraw/zinc/42/09/37/342420937.db2.gz YBKYECOLRZDFBR-NSHDSACASA-N -1 3 250.342 1.688 10 0 CDAEHM CC(C)(C)OC(=O)N1CCN(c2ncncc2[O-])CC1 ZINC000169278270 342446893 /nfs/dbraw/zinc/44/68/93/342446893.db2.gz LNRQBICPVRRISB-UHFFFAOYSA-N -1 3 280.328 1.239 10 0 CDAEHM C[C@H](O)CN(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000092224989 342407967 /nfs/dbraw/zinc/40/79/67/342407967.db2.gz OVRACIPVDRSPSW-VIFPVBQESA-N -1 3 279.336 1.559 10 0 CDAEHM CCOC(=O)C(SC(=S)OCC)=C(C)[O-] ZINC000136313950 342445382 /nfs/dbraw/zinc/44/53/82/342445382.db2.gz LVCLBNCPYWTZNK-ZETCQYMHSA-N -1 3 250.341 1.562 10 0 CDAEHM COc1cccc(CNC(=O)c2c([O-])cccc2O)n1 ZINC000092120466 342411151 /nfs/dbraw/zinc/41/11/51/342411151.db2.gz DIEYFHNVKPAGMY-UHFFFAOYSA-N -1 3 274.276 1.431 10 0 CDAEHM Cc1ccc([O-])c(CN2CC(=O)N[C@@H]3CCCC[C@H]32)n1 ZINC000271186538 362196709 /nfs/dbraw/zinc/19/67/09/362196709.db2.gz KDQAATIPBMNEBC-DGCLKSJQSA-N -1 3 275.352 1.339 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2C[C@H]3COC[C@@]3(C)C2)cs1 ZINC000618729768 346964063 /nfs/dbraw/zinc/96/40/63/346964063.db2.gz KLMMIMPNPZORKS-TVQRCGJNSA-N -1 3 281.381 1.105 10 0 CDAEHM O=C(NC[C@]1(CCO)CCOC1)c1cc([O-])ccc1Cl ZINC000354957183 365799820 /nfs/dbraw/zinc/79/98/20/365799820.db2.gz CJWGOBSKDBDJDT-AWEZNQCLSA-N -1 3 299.754 1.565 10 0 CDAEHM COc1ccc([O-])c(C(=O)NC[C@H](OC)[C@@H]2CCOC2)c1 ZINC000617148403 344933254 /nfs/dbraw/zinc/93/32/54/344933254.db2.gz QSNDGTAMTGGBBL-YGRLFVJLSA-N -1 3 295.335 1.182 10 0 CDAEHM CCc1ccc([O-])c(C(=O)NC[C@@H](OC)[C@@H]2CCOC2)c1 ZINC000617135527 344916683 /nfs/dbraw/zinc/91/66/83/344916683.db2.gz OPUYTGQPNFQIBC-IUODEOHRSA-N -1 3 293.363 1.736 10 0 CDAEHM COc1nc(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)n[n-]1 ZINC000537732934 282381212 /nfs/dbraw/zinc/38/12/12/282381212.db2.gz DUSGFSFQWOKDGT-RKDXNWHRSA-N -1 3 268.317 1.347 10 0 CDAEHM COc1nnc(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)[n-]1 ZINC000537732934 282381213 /nfs/dbraw/zinc/38/12/13/282381213.db2.gz DUSGFSFQWOKDGT-RKDXNWHRSA-N -1 3 268.317 1.347 10 0 CDAEHM COc1n[n-]c(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)n1 ZINC000537732934 282381214 /nfs/dbraw/zinc/38/12/14/282381214.db2.gz DUSGFSFQWOKDGT-RKDXNWHRSA-N -1 3 268.317 1.347 10 0 CDAEHM COC[C@H](CCNC(=O)c1cccc([O-])c1)OC ZINC000617227190 345036616 /nfs/dbraw/zinc/03/66/16/345036616.db2.gz KUEFTVOCZIYHBI-LBPRGKRZSA-N -1 3 253.298 1.174 10 0 CDAEHM COCc1ncc(C(=O)[N-]c2nnc(C3CC3)n2C)s1 ZINC000617284131 345123429 /nfs/dbraw/zinc/12/34/29/345123429.db2.gz VMAMENGXAPPFSQ-UHFFFAOYSA-N -1 3 293.352 1.548 10 0 CDAEHM N#Cc1cncc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c1 ZINC000398259187 345282604 /nfs/dbraw/zinc/28/26/04/345282604.db2.gz DLFJBKYBHJAGFI-JTQLQIEISA-N -1 3 287.291 1.419 10 0 CDAEHM C[C@H]1CC[C@]2(CCN(C(=O)c3cc(=O)[n-]cn3)C2)C1 ZINC000626415381 345415495 /nfs/dbraw/zinc/41/54/95/345415495.db2.gz YBXOMKWOHQIWMG-HZMBPMFUSA-N -1 3 261.325 1.835 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N[C@H]2C[C@H](C)n3ncnc32)c1 ZINC000617441763 345538172 /nfs/dbraw/zinc/53/81/72/345538172.db2.gz DQZZRHILLHDGJZ-CABZTGNLSA-N -1 3 286.335 1.982 10 0 CDAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCCC2(CCCC2)CC1 ZINC000617564348 345858080 /nfs/dbraw/zinc/85/80/80/345858080.db2.gz NJQHLWUZDIMNGG-NSHDSACASA-N -1 3 293.367 1.157 10 0 CDAEHM CN1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000085340530 179026134 /nfs/dbraw/zinc/02/61/34/179026134.db2.gz SQQOFHFXHGWJEA-GRYCIOLGSA-N -1 3 283.372 1.023 10 0 CDAEHM CN(C)c1ccncc1NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000085410676 179056514 /nfs/dbraw/zinc/05/65/14/179056514.db2.gz HMAAXCGVDLUFLD-WDEREUQCSA-N -1 3 277.324 1.443 10 0 CDAEHM Cc1ccc([O-])c(CNC2(C(=O)N(C)C)CCCCC2)n1 ZINC000449462335 362720806 /nfs/dbraw/zinc/72/08/06/362720806.db2.gz SMLZBUMROKRDJF-UHFFFAOYSA-N -1 3 291.395 1.976 10 0 CDAEHM Cc1cc([C@H]2NC(=O)[N-]C2=O)ccc1Br ZINC000085707083 179121745 /nfs/dbraw/zinc/12/17/45/179121745.db2.gz HWXIZANIQNPIFY-MRVPVSSYSA-N -1 3 269.098 1.638 10 0 CDAEHM CC(C)Oc1ccccc1NC(=O)[C@H](N)CC(=O)[O-] ZINC000085812298 179178613 /nfs/dbraw/zinc/17/86/13/179178613.db2.gz NVZLVHDBLIOFSK-SECBINFHSA-N -1 3 266.297 1.214 10 0 CDAEHM N[C@H](CCC(=O)[O-])C(=O)N[C@H]1CCSc2ccccc21 ZINC000085819154 179182305 /nfs/dbraw/zinc/18/23/05/179182305.db2.gz FNWBBEFYNKTMFG-MNOVXSKESA-N -1 3 294.376 1.532 10 0 CDAEHM N[C@@H](CCC(=O)[O-])C(=O)NCc1cc2c(s1)CCC2 ZINC000085841655 179185313 /nfs/dbraw/zinc/18/53/13/179185313.db2.gz FYYHHIJQCPOXBE-JTQLQIEISA-N -1 3 282.365 1.045 10 0 CDAEHM CCC(=O)Nc1cccc(NC(=O)[C@@H](N)CC(=O)[O-])c1C ZINC000085814712 179179180 /nfs/dbraw/zinc/17/91/80/179179180.db2.gz QNBBHUQVDDSPKY-VIFPVBQESA-N -1 3 293.323 1.084 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)N(Cc1cccs1)C1CC1 ZINC000085815848 179179798 /nfs/dbraw/zinc/17/97/98/179179798.db2.gz YKJNKTBFGXWCAN-JTQLQIEISA-N -1 3 268.338 1.041 10 0 CDAEHM Cc1ccc(CN(C(=O)[C@H](N)CC(=O)[O-])C(C)C)o1 ZINC000085816297 179180459 /nfs/dbraw/zinc/18/04/59/179180459.db2.gz GIJGDCSGVWFOIW-LLVKDONJSA-N -1 3 268.313 1.127 10 0 CDAEHM O=C([O-])c1ccc(CNC[C@H]2CCCC[C@H]2O)o1 ZINC000085978706 179208454 /nfs/dbraw/zinc/20/84/54/179208454.db2.gz OSQCDDDTHHTOTI-MWLCHTKSSA-N -1 3 253.298 1.619 10 0 CDAEHM C[C@H]1[C@H]([N-]S(=O)(=O)c2ccc[nH]c2=NN)CC[C@@H]1C ZINC000086079545 179226619 /nfs/dbraw/zinc/22/66/19/179226619.db2.gz BHZJGIYRULQTTP-IVZWLZJFSA-N -1 3 284.385 1.080 10 0 CDAEHM CC[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)[C@@H]1C ZINC000086103942 179230758 /nfs/dbraw/zinc/23/07/58/179230758.db2.gz UDKMYHRBNDVMEJ-OPRDCNLKSA-N -1 3 257.359 1.513 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2CC[C@H](O)C(F)(F)C2)c1 ZINC000617815671 347437068 /nfs/dbraw/zinc/43/70/68/347437068.db2.gz CPQRZGYITNAHCK-NSHDSACASA-N -1 3 271.263 1.543 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CCOc2ncccc2C1 ZINC000613497494 347759994 /nfs/dbraw/zinc/75/99/94/347759994.db2.gz GTTYCKRGHAZDPV-UHFFFAOYSA-N -1 3 285.303 1.146 10 0 CDAEHM CC(=O)[C@@H](C)CCCCC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000275104813 365921607 /nfs/dbraw/zinc/92/16/07/365921607.db2.gz DUGLHKRJDICRQW-QMMMGPOBSA-N -1 3 295.339 1.920 10 0 CDAEHM CCN1CN(C(=O)c2cc(SC)ccc2[O-])CC1=O ZINC000613951291 347949880 /nfs/dbraw/zinc/94/98/80/347949880.db2.gz DIRVLLVJSNCHMU-UHFFFAOYSA-N -1 3 280.349 1.376 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CC[C@@H](N2CCC2)[C@@H](F)C1 ZINC000614105194 348002970 /nfs/dbraw/zinc/00/29/70/348002970.db2.gz JSCZEDCHNXNXNU-UONOGXRCSA-N -1 3 278.327 1.651 10 0 CDAEHM O=S(=O)([N-]CCCCF)c1cccc2nsnc21 ZINC000555224465 290208802 /nfs/dbraw/zinc/20/88/02/290208802.db2.gz MKWVTTMUUPYLGW-UHFFFAOYSA-N -1 3 289.357 1.719 10 0 CDAEHM CC(C)[C@@H](C(=O)[N-]OCc1ccc(F)cc1)N(C)C ZINC000273388139 192135690 /nfs/dbraw/zinc/13/56/90/192135690.db2.gz DFLYGHSJDNIELM-ZDUSSCGKSA-N -1 3 268.332 1.960 10 0 CDAEHM COC(=O)CCCCNC(=O)NN=c1nc(C)cc(C)[n-]1 ZINC000069122822 349091524 /nfs/dbraw/zinc/09/15/24/349091524.db2.gz UCADFIFBHKQNGV-UHFFFAOYSA-N -1 3 295.343 1.063 10 0 CDAEHM CC(C)(C(N)=O)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022929 349251153 /nfs/dbraw/zinc/25/11/53/349251153.db2.gz LIFHXQWULCQVFL-UHFFFAOYSA-N -1 3 287.319 1.068 10 0 CDAEHM CC(C)N(C(=O)CC[C@H]1NC(=O)[N-]C1=O)C1CC(C)(C)C1 ZINC000616156531 349317726 /nfs/dbraw/zinc/31/77/26/349317726.db2.gz GWWFOBUARACSSB-LLVKDONJSA-N -1 3 295.383 1.400 10 0 CDAEHM COc1cccc(C(=O)N(C)CC2CN(C)C2)c1[O-] ZINC000618196310 349398648 /nfs/dbraw/zinc/39/86/48/349398648.db2.gz RKEARFGYZHNAAZ-UHFFFAOYSA-N -1 3 264.325 1.034 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)C(O)[C@@H](C)C2)c1 ZINC000618263812 349418969 /nfs/dbraw/zinc/41/89/69/349418969.db2.gz MLWMUSSJBNXXEX-QWRGUYRKSA-N -1 3 263.337 1.790 10 0 CDAEHM CCCN(C)CC(C)(C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000620621406 350290654 /nfs/dbraw/zinc/29/06/54/350290654.db2.gz KIIOGOHZLNMQOL-UHFFFAOYSA-N -1 3 292.379 1.812 10 0 CDAEHM O=C(c1c([O-])cccc1O)N1CCCSCC1 ZINC000092117410 180328201 /nfs/dbraw/zinc/32/82/01/180328201.db2.gz RMQMHCGPCQTAFA-UHFFFAOYSA-N -1 3 253.323 1.677 10 0 CDAEHM C[C@]1(C(F)F)CN(C(=O)c2ccc(O)cc2[O-])CCO1 ZINC000621192342 350480358 /nfs/dbraw/zinc/48/03/58/350480358.db2.gz AKQVEERTBXHZCQ-CYBMUJFWSA-N -1 3 287.262 1.594 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC3CC2(C)C3)c1 ZINC000621214781 350487867 /nfs/dbraw/zinc/48/78/67/350487867.db2.gz IRYYGKDQASJJLA-UHFFFAOYSA-N -1 3 274.320 1.975 10 0 CDAEHM COC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000112282740 365984880 /nfs/dbraw/zinc/98/48/80/365984880.db2.gz ILDAYZVZWKAXNN-NSHDSACASA-N -1 3 277.320 1.726 10 0 CDAEHM CC(C)(C)OCCNC(=O)c1cc(F)c[n-]c1=O ZINC000621787323 350782588 /nfs/dbraw/zinc/78/25/88/350782588.db2.gz VCFVMDJPXUHGJV-UHFFFAOYSA-N -1 3 256.277 1.471 10 0 CDAEHM O=C(NCCC[C@H]1CCCC[C@H]1O)c1cc(F)c[n-]c1=O ZINC000621923458 350861129 /nfs/dbraw/zinc/86/11/29/350861129.db2.gz NBQHZGVFTHJYGA-ZWNOBZJWSA-N -1 3 296.342 1.987 10 0 CDAEHM O=C(c1ccccc1[O-])N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000622083016 350979521 /nfs/dbraw/zinc/97/95/21/350979521.db2.gz WIGSWXKHQPLOKH-YRGRVCCFSA-N -1 3 291.347 1.394 10 0 CDAEHM C[C@H]1CCC[C@H](CNC(=O)c2cc(F)c[n-]c2=O)O1 ZINC000622171526 351050752 /nfs/dbraw/zinc/05/07/52/351050752.db2.gz NGSMGCYBYBTJQQ-WCBMZHEXSA-N -1 3 268.288 1.614 10 0 CDAEHM C[C@@]1(CNC(=O)CNC(=O)c2ccc([O-])cc2)CC1(F)F ZINC000622171917 351051853 /nfs/dbraw/zinc/05/18/53/351051853.db2.gz XUBVYLFXKLBGRM-ZDUSSCGKSA-N -1 3 298.289 1.284 10 0 CDAEHM O=C(NC1(CO)CC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622462262 351177224 /nfs/dbraw/zinc/17/72/24/351177224.db2.gz RJSMRAXCNSMHOC-UHFFFAOYSA-N -1 3 275.226 1.666 10 0 CDAEHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCOC2(C)C)s1 ZINC000451692860 363072636 /nfs/dbraw/zinc/07/26/36/363072636.db2.gz GLZBLAQTFLVIDZ-QMMMGPOBSA-N -1 3 290.410 1.551 10 0 CDAEHM CCc1cc(C(=O)N2CCN(CC(F)F)CC2)ccc1[O-] ZINC000291482102 198032794 /nfs/dbraw/zinc/03/27/94/198032794.db2.gz KRRHBODLGBXJDC-UHFFFAOYSA-N -1 3 298.333 1.978 10 0 CDAEHM CC1(C)SC[C@@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000276621439 366076456 /nfs/dbraw/zinc/07/64/56/366076456.db2.gz OCELPWIMNQNDID-JTQLQIEISA-N -1 3 290.344 1.194 10 0 CDAEHM CO[C@H](C)[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000451854797 363154674 /nfs/dbraw/zinc/15/46/74/363154674.db2.gz NQNKXSAWSCIUEI-RKDXNWHRSA-N -1 3 255.289 1.613 10 0 CDAEHM C[C@@H](C(=O)Nc1nnc(SCCO)[n-]1)c1cccnc1 ZINC000155292096 188197250 /nfs/dbraw/zinc/19/72/50/188197250.db2.gz VVEBKVZDEYBHEI-MRVPVSSYSA-N -1 3 293.352 1.026 10 0 CDAEHM C[C@@H](C(=O)Nc1nc(SCCO)n[n-]1)c1cccnc1 ZINC000155292096 188197252 /nfs/dbraw/zinc/19/72/52/188197252.db2.gz VVEBKVZDEYBHEI-MRVPVSSYSA-N -1 3 293.352 1.026 10 0 CDAEHM C[C@@H](C(=O)Nc1n[n-]c(SCCO)n1)c1cccnc1 ZINC000155292096 188197254 /nfs/dbraw/zinc/19/72/54/188197254.db2.gz VVEBKVZDEYBHEI-MRVPVSSYSA-N -1 3 293.352 1.026 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](C)Oc2cccc(F)c2)[n-]1 ZINC000158184231 188362558 /nfs/dbraw/zinc/36/25/58/188362558.db2.gz WBSYCAIVYXVDMT-SSDOTTSWSA-N -1 3 280.259 1.358 10 0 CDAEHM COc1nc(NC(=O)[C@@H](C)Oc2cccc(F)c2)n[n-]1 ZINC000158184231 188362560 /nfs/dbraw/zinc/36/25/60/188362560.db2.gz WBSYCAIVYXVDMT-SSDOTTSWSA-N -1 3 280.259 1.358 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](C)Oc2cccc(F)c2)n1 ZINC000158184231 188362561 /nfs/dbraw/zinc/36/25/61/188362561.db2.gz WBSYCAIVYXVDMT-SSDOTTSWSA-N -1 3 280.259 1.358 10 0 CDAEHM Cc1c([C@H](C)NCc2nc(C)ccc2[O-])cnn1C ZINC000112716605 366126551 /nfs/dbraw/zinc/12/65/51/366126551.db2.gz IUSSROMMMCUQNA-JTQLQIEISA-N -1 3 260.341 1.988 10 0 CDAEHM C[C@H]1CN(CC(=O)NC2CCCCC2)CC[C@@H]1C(=O)[O-] ZINC000312772222 366173708 /nfs/dbraw/zinc/17/37/08/366173708.db2.gz CKPBHNNVCQQOOP-AAEUAGOBSA-N -1 3 282.384 1.478 10 0 CDAEHM CCn1nccc1S(=O)(=O)[N-]CC(F)(F)C(F)F ZINC000276832299 366175030 /nfs/dbraw/zinc/17/50/30/366175030.db2.gz HSYKZEFGQKFOHN-UHFFFAOYSA-N -1 3 289.254 1.082 10 0 CDAEHM CN(C(=O)c1c([O-])cccc1F)[C@H]1CN2CCC1CC2 ZINC000336373477 363451267 /nfs/dbraw/zinc/45/12/67/363451267.db2.gz MZKURKGFPQFQDI-LBPRGKRZSA-N -1 3 278.327 1.698 10 0 CDAEHM O=C([N-]c1cc(-c2ccccc2F)no1)[C@@H]1CCC(=O)N1 ZINC000071900758 356032129 /nfs/dbraw/zinc/03/21/29/356032129.db2.gz JDUYRHNZGJNAOT-JTQLQIEISA-N -1 3 289.266 1.698 10 0 CDAEHM Cc1ccc(C(F)(F)C(=O)[N-][C@H]2CCCNC2=O)cc1 ZINC000295845270 199688820 /nfs/dbraw/zinc/68/88/20/199688820.db2.gz RUWPPYSGWCFWEP-NSHDSACASA-N -1 3 282.290 1.482 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000628048716 356431020 /nfs/dbraw/zinc/43/10/20/356431020.db2.gz PCSBHFPXBWOYGT-VHSXEESVSA-N -1 3 272.308 1.728 10 0 CDAEHM COCCN1CCN(C2CCC(C)(C(=O)[O-])CC2)CC1 ZINC000725264315 538455678 /nfs/dbraw/zinc/45/56/78/538455678.db2.gz ZEKXEHHNBUUCEH-UHFFFAOYSA-N -1 3 284.400 1.284 10 0 CDAEHM COc1ccc2cnn(C[C@H]3CCSC3)c([O-])c-2c1=O ZINC000634629429 356598111 /nfs/dbraw/zinc/59/81/11/356598111.db2.gz UOLVDKTUHBVWTE-SECBINFHSA-N -1 3 292.360 1.864 10 0 CDAEHM COc1ccc2cnn(C[C@H]3CCSC3)c(=O)c2c1[O-] ZINC000634629429 356598114 /nfs/dbraw/zinc/59/81/14/356598114.db2.gz UOLVDKTUHBVWTE-SECBINFHSA-N -1 3 292.360 1.864 10 0 CDAEHM CC(C)(C)OC(=O)c1nn[n-]c1[C@H]1CCCCN1 ZINC000725266492 538456935 /nfs/dbraw/zinc/45/69/35/538456935.db2.gz DNOSSDKPIVODTN-MRVPVSSYSA-N -1 3 252.318 1.575 10 0 CDAEHM CC(C)N1CCC[C@H](n2nnc3c2C[C@@H](C(=O)[O-])CC3)C1 ZINC000584882975 356666952 /nfs/dbraw/zinc/66/69/52/356666952.db2.gz CKMOACCQBDMSIP-RYUDHWBXSA-N -1 3 292.383 1.513 10 0 CDAEHM CCNC(=O)CO[N-]C(=O)Cc1ccc2ccccc2c1 ZINC000072291795 356746394 /nfs/dbraw/zinc/74/63/94/356746394.db2.gz PVMQFUQWJUADBS-UHFFFAOYSA-N -1 3 286.331 1.566 10 0 CDAEHM CC1(C)CO[C@@H](CN(CCC(=O)[O-])C[C@@H]2CCCO2)C1 ZINC000634692217 356979375 /nfs/dbraw/zinc/97/93/75/356979375.db2.gz WKOPWSHUWGJGLX-QWHCGFSZSA-N -1 3 285.384 1.757 10 0 CDAEHM C[C@@H](CC(=O)N1CC[C@]2(C1)NC(=O)[N-]C2=O)CC(C)(C)C ZINC000083856544 357342880 /nfs/dbraw/zinc/34/28/80/357342880.db2.gz YSRMISDZUKFKRQ-ZUZCIYMTSA-N -1 3 295.383 1.259 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1F)C(=O)OC ZINC000185107795 357509735 /nfs/dbraw/zinc/50/97/35/357509735.db2.gz MPWAZERZDZMOLL-SNVBAGLBSA-N -1 3 289.328 1.364 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@H](O)C12CCC2 ZINC000628111382 357762179 /nfs/dbraw/zinc/76/21/79/357762179.db2.gz PWGANAAFQORPNX-RYUDHWBXSA-N -1 3 261.321 1.734 10 0 CDAEHM CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)[O-] ZINC000040482381 357842697 /nfs/dbraw/zinc/84/26/97/357842697.db2.gz IZSMZZYBVXKZCF-QWHCGFSZSA-N -1 3 278.352 1.316 10 0 CDAEHM COc1cccc(C(=O)N[C@@H](C)[C@@H](C)OC)c1[O-] ZINC000188352040 357883616 /nfs/dbraw/zinc/88/36/16/357883616.db2.gz UQEBKCCXVIRWIA-DTWKUNHWSA-N -1 3 253.298 1.554 10 0 CDAEHM Cc1noc([C@H](C)[N-]S(=O)(=O)N2CCC[C@H](C)C2)n1 ZINC000408158636 358214559 /nfs/dbraw/zinc/21/45/59/358214559.db2.gz CFIJTNVIPKTHMO-IUCAKERBSA-N -1 3 288.373 1.005 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(C3CC3)CC2)n1 ZINC000192556978 358216633 /nfs/dbraw/zinc/21/66/33/358216633.db2.gz WGAXZJXIKCHDBU-LLVKDONJSA-N -1 3 262.357 1.332 10 0 CDAEHM CN(C)[C@H]1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000194577558 358381151 /nfs/dbraw/zinc/38/11/51/358381151.db2.gz JCNRPJPFXFEMQD-VIFPVBQESA-N -1 3 286.734 1.961 10 0 CDAEHM COc1nnc(NC(=O)C=C2CCC(C)CC2)[n-]1 ZINC000179378222 366533325 /nfs/dbraw/zinc/53/33/25/366533325.db2.gz XJRWEFZTMBRMTO-UHFFFAOYSA-N -1 3 250.302 1.888 10 0 CDAEHM COc1nc(NC(=O)C=C2CCC(C)CC2)n[n-]1 ZINC000179378222 366533328 /nfs/dbraw/zinc/53/33/28/366533328.db2.gz XJRWEFZTMBRMTO-UHFFFAOYSA-N -1 3 250.302 1.888 10 0 CDAEHM COc1n[n-]c(NC(=O)C=C2CCC(C)CC2)n1 ZINC000179378222 366533332 /nfs/dbraw/zinc/53/33/32/366533332.db2.gz XJRWEFZTMBRMTO-UHFFFAOYSA-N -1 3 250.302 1.888 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H](C)C2)o1 ZINC000336480386 363622885 /nfs/dbraw/zinc/62/28/85/363622885.db2.gz CSHQPBOHRUMHBP-GHMZBOCLSA-N -1 3 273.354 1.681 10 0 CDAEHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)nc(C)n1 ZINC000347708686 359538585 /nfs/dbraw/zinc/53/85/85/359538585.db2.gz RVZSFXBLXJOKOB-UHFFFAOYSA-N -1 3 295.306 1.526 10 0 CDAEHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)nc(C)n1 ZINC000347708686 359538587 /nfs/dbraw/zinc/53/85/87/359538587.db2.gz RVZSFXBLXJOKOB-UHFFFAOYSA-N -1 3 295.306 1.526 10 0 CDAEHM Cc1cccc([C@H](C)NC(=O)CN2CC(=O)[N-]C2=O)c1C ZINC000115726128 359559049 /nfs/dbraw/zinc/55/90/49/359559049.db2.gz AHVNLDXKUIKNRE-NSHDSACASA-N -1 3 289.335 1.032 10 0 CDAEHM CCC(C)(C)OCCNC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000560424635 359604475 /nfs/dbraw/zinc/60/44/75/359604475.db2.gz ILNORMPCQDBDFO-UHFFFAOYSA-N -1 3 284.360 1.177 10 0 CDAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](C)CC2CC2)c1 ZINC000153078664 359675765 /nfs/dbraw/zinc/67/57/65/359675765.db2.gz FTTMJCBDSASRMV-SNVBAGLBSA-N -1 3 271.386 1.931 10 0 CDAEHM CC(C)[C@H]1CCCCN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000408397386 359725875 /nfs/dbraw/zinc/72/58/75/359725875.db2.gz UXERUIPIZJKYLB-GFCCVEGCSA-N -1 3 292.383 1.899 10 0 CDAEHM CCC(CC)[C@H](O)CNC(=O)c1cccc([O-])c1 ZINC000227617635 359834142 /nfs/dbraw/zinc/83/41/42/359834142.db2.gz NLOWGYXRZFVCQA-CYBMUJFWSA-N -1 3 251.326 1.919 10 0 CDAEHM C[C@@]1([N-]S(=O)(=O)c2c[nH]c(=O)s2)CC=CCC1 ZINC000632442474 359868537 /nfs/dbraw/zinc/86/85/37/359868537.db2.gz DDYNUTKZDNGBGV-SNVBAGLBSA-N -1 3 274.367 1.626 10 0 CDAEHM CCc1ncc(CNC(=O)c2cc(OC)ccc2[O-])o1 ZINC000456519524 363692477 /nfs/dbraw/zinc/69/24/77/363692477.db2.gz MUFQZHNMYDHADK-UHFFFAOYSA-N -1 3 276.292 1.881 10 0 CDAEHM CC1(C)CCC[C@@H]1C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297781484 200279341 /nfs/dbraw/zinc/27/93/41/200279341.db2.gz QRZGTMBRUNHIOJ-SECBINFHSA-N -1 3 291.355 1.462 10 0 CDAEHM CC1(C)CCC[C@@H]1C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297781484 200279342 /nfs/dbraw/zinc/27/93/42/200279342.db2.gz QRZGTMBRUNHIOJ-SECBINFHSA-N -1 3 291.355 1.462 10 0 CDAEHM CC1(C)CCC[C@@H]1C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297781484 200279344 /nfs/dbraw/zinc/27/93/44/200279344.db2.gz QRZGTMBRUNHIOJ-SECBINFHSA-N -1 3 291.355 1.462 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N2C[C@@H](O)C3(CC3)C2)c1 ZINC000335333434 359929376 /nfs/dbraw/zinc/92/93/76/359929376.db2.gz GUAGTCDVJHCTHF-CYBMUJFWSA-N -1 3 261.321 1.552 10 0 CDAEHM O=C(NCc1ncccc1[O-])N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000645725632 360337575 /nfs/dbraw/zinc/33/75/75/360337575.db2.gz DWCLRIOGMGYWOO-GARJFASQSA-N -1 3 261.325 1.775 10 0 CDAEHM NC(=O)c1ccc(NC(=O)NCc2ncccc2[O-])cc1 ZINC000348525612 360378812 /nfs/dbraw/zinc/37/88/12/360378812.db2.gz OLMXETUCAQDTMT-UHFFFAOYSA-N -1 3 286.291 1.208 10 0 CDAEHM CCCCc1n[n-]c(=NC(=O)NC[C@@H]2CCCN2C)s1 ZINC000355852998 360381491 /nfs/dbraw/zinc/38/14/91/360381491.db2.gz DWSSGLZYAPAJEB-JTQLQIEISA-N -1 3 297.428 1.518 10 0 CDAEHM O=C([N-]O[C@H]1CCCCO1)[C@@H]1CCCN1C1CCOCC1 ZINC000155133437 360433854 /nfs/dbraw/zinc/43/38/54/360433854.db2.gz YCWMAGADCCFRJX-KBPBESRZSA-N -1 3 298.383 1.204 10 0 CDAEHM O=S(=O)([N-][C@@H]1CC[C@H]1O)c1ccccc1C(F)(F)F ZINC000335563863 360463603 /nfs/dbraw/zinc/46/36/03/360463603.db2.gz BWEIMBWLWLDIJY-RKDXNWHRSA-N -1 3 295.282 1.507 10 0 CDAEHM Cc1cc(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)ccc1[O-] ZINC000338206331 360770335 /nfs/dbraw/zinc/77/03/35/360770335.db2.gz ROUUYEPLRKSBKV-CQSZACIVSA-N -1 3 289.331 1.521 10 0 CDAEHM Cn1ccc(S(=O)(=O)[N-]C(C)(C2CC2)C2CC2)n1 ZINC000660043785 412709024 /nfs/dbraw/zinc/70/90/24/412709024.db2.gz YHXPHNTZOCYDKK-UHFFFAOYSA-N -1 3 269.370 1.277 10 0 CDAEHM COc1nnc(NC(=O)C[C@H]2OCCc3ccccc32)[n-]1 ZINC000179370976 189189777 /nfs/dbraw/zinc/18/97/77/189189777.db2.gz MGDPHCLKQIEGHM-LLVKDONJSA-N -1 3 288.307 1.456 10 0 CDAEHM COc1nc(NC(=O)C[C@H]2OCCc3ccccc32)n[n-]1 ZINC000179370976 189189778 /nfs/dbraw/zinc/18/97/78/189189778.db2.gz MGDPHCLKQIEGHM-LLVKDONJSA-N -1 3 288.307 1.456 10 0 CDAEHM COc1n[n-]c(NC(=O)C[C@H]2OCCc3ccccc32)n1 ZINC000179370976 189189779 /nfs/dbraw/zinc/18/97/79/189189779.db2.gz MGDPHCLKQIEGHM-LLVKDONJSA-N -1 3 288.307 1.456 10 0 CDAEHM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N(C)CCCC(=O)[O-] ZINC000430672830 360943139 /nfs/dbraw/zinc/94/31/39/360943139.db2.gz XCOBATCLUINOAQ-FRRDWIJNSA-N -1 3 284.400 1.866 10 0 CDAEHM CN(C)c1nc(C(=O)N2CC[C@@H](C(C)(C)C)C2)cc(=O)[n-]1 ZINC000338800400 361023568 /nfs/dbraw/zinc/02/35/68/361023568.db2.gz PPBNXAXYKIKGSM-SNVBAGLBSA-N -1 3 292.383 1.756 10 0 CDAEHM CN(C)c1nc(C(=O)NCC23CCC(CC2)C3)cc(=O)[n-]1 ZINC000338819315 361060402 /nfs/dbraw/zinc/06/04/02/361060402.db2.gz VZTNSXCUNQMOLL-UHFFFAOYSA-N -1 3 290.367 1.558 10 0 CDAEHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000566738052 361060979 /nfs/dbraw/zinc/06/09/79/361060979.db2.gz RKBXYSFTBRTIRT-VWYCJHECSA-N -1 3 270.373 1.332 10 0 CDAEHM CCCS(=O)(=O)[N-][C@](C)(c1noc(C)n1)C1CC1 ZINC000432269839 361133611 /nfs/dbraw/zinc/13/36/11/361133611.db2.gz JCLWBBAENJOXQJ-NSHDSACASA-N -1 3 273.358 1.333 10 0 CDAEHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccccn1 ZINC000339005867 361203081 /nfs/dbraw/zinc/20/30/81/361203081.db2.gz FAFCYZTWYZZKLJ-UHFFFAOYSA-N -1 3 281.337 1.419 10 0 CDAEHM O=C(N[C@H]1COCCC1=O)c1ccc2c(c1[O-])CCCC2 ZINC000628890457 361253498 /nfs/dbraw/zinc/25/34/98/361253498.db2.gz ZJTDXRAQRYOTOP-ZDUSSCGKSA-N -1 3 289.331 1.359 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCO[C@H](CCF)C1 ZINC000629022650 361420262 /nfs/dbraw/zinc/42/02/62/361420262.db2.gz AHNWMWBEACWYCT-GFCCVEGCSA-N -1 3 253.273 1.593 10 0 CDAEHM CCn1c(=O)[n-]nc1SCc1cc(CO)ccc1F ZINC000629101773 361530885 /nfs/dbraw/zinc/53/08/85/361530885.db2.gz ZHRSGKCMEZYAAD-UHFFFAOYSA-N -1 3 283.328 1.927 10 0 CDAEHM NC(=O)c1ncccc1C(=O)Nc1ccccc1[O-] ZINC000436776878 361573601 /nfs/dbraw/zinc/57/36/01/361573601.db2.gz MIFGJVGMBNEMGG-UHFFFAOYSA-N -1 3 257.249 1.138 10 0 CDAEHM CCc1ccc(C(=O)NC2(CC(N)=O)CCC2)c([O-])c1 ZINC000436831016 361585445 /nfs/dbraw/zinc/58/54/45/361585445.db2.gz PCAXZQHTUOEQST-UHFFFAOYSA-N -1 3 276.336 1.483 10 0 CDAEHM CC(C)c1cccc(N(C)C(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000134682856 361636451 /nfs/dbraw/zinc/63/64/51/361636451.db2.gz JUJJBCXWVQQHIW-UHFFFAOYSA-N -1 3 289.335 1.325 10 0 CDAEHM CCc1cc(C(=O)N2CCN(CCO)C[C@@H]2C)ccc1[O-] ZINC000457094021 363905623 /nfs/dbraw/zinc/90/56/23/363905623.db2.gz HDHIGPGMPNYPJL-LBPRGKRZSA-N -1 3 292.379 1.093 10 0 CDAEHM CC[C@@H]1OCCC[C@@H]1C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000636287138 363933335 /nfs/dbraw/zinc/93/33/35/363933335.db2.gz YUGQDKDZESWBAJ-GWCFXTLKSA-N -1 3 291.351 1.538 10 0 CDAEHM CC[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632391493 364012300 /nfs/dbraw/zinc/01/23/00/364012300.db2.gz AWYQXITZLYGDJR-DTWKUNHWSA-N -1 3 290.410 1.953 10 0 CDAEHM CN(CC(=O)N=c1cc(-c2ccncc2)[n-][nH]1)C1CCC1 ZINC000629953827 364248747 /nfs/dbraw/zinc/24/87/47/364248747.db2.gz BHVIWCGUXUPIBM-UHFFFAOYSA-N -1 3 285.351 1.316 10 0 CDAEHM CCc1cc(=O)[n-]c(CN[C@](C)(CO)C(C)C)n1 ZINC000352883528 364333008 /nfs/dbraw/zinc/33/30/08/364333008.db2.gz OUENDDNQKCHZPT-CYBMUJFWSA-N -1 3 253.346 1.241 10 0 CDAEHM COC(=O)[C@@H]1CCCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000248748166 364455875 /nfs/dbraw/zinc/45/58/75/364455875.db2.gz NWCJOOWTKGXICW-GHMZBOCLSA-N -1 3 279.340 1.437 10 0 CDAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(Cl)ccn1 ZINC000352994808 364700588 /nfs/dbraw/zinc/70/05/88/364700588.db2.gz VJDXGYCJPDSCOT-NSHDSACASA-N -1 3 292.726 1.984 10 0 CDAEHM CCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000353005914 364709935 /nfs/dbraw/zinc/70/99/35/364709935.db2.gz WHKYWJVEMXIWNC-QWRGUYRKSA-N -1 3 289.353 1.060 10 0 CDAEHM C[C@@H]1CCN(Cc2cnc(C3CC3)nc2)C[C@H]1C(=O)[O-] ZINC000514603935 364753421 /nfs/dbraw/zinc/75/34/21/364753421.db2.gz ZLXOROUINYIJKQ-ZWNOBZJWSA-N -1 3 275.352 1.897 10 0 CDAEHM CO[C@H](C)[C@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412286992 240136138 /nfs/dbraw/zinc/13/61/38/240136138.db2.gz XALSXGYQQKOGOQ-WCBMZHEXSA-N -1 3 265.309 1.748 10 0 CDAEHM O=C(NCCc1cccc(O)c1)NCc1ncccc1[O-] ZINC000471840480 365001026 /nfs/dbraw/zinc/00/10/26/365001026.db2.gz TXMGJCPCEAJRSR-UHFFFAOYSA-N -1 3 287.319 1.535 10 0 CDAEHM Cc1cc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)ccc1[O-] ZINC000272353090 365202081 /nfs/dbraw/zinc/20/20/81/365202081.db2.gz DKHBQHRZHVMEPT-UHFFFAOYSA-N -1 3 297.376 1.350 10 0 CDAEHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cscn2)CCO1 ZINC000566794920 370815344 /nfs/dbraw/zinc/81/53/44/370815344.db2.gz UMVZFUDAJYWKML-VHSXEESVSA-N -1 3 290.410 1.625 10 0 CDAEHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@H](n2cncn2)C1 ZINC000171579092 365322202 /nfs/dbraw/zinc/32/22/02/365322202.db2.gz YXSALOZMUIMXRZ-NSHDSACASA-N -1 3 297.322 1.027 10 0 CDAEHM CS(=O)(=O)CC1(CNC(=O)c2cccc([O-])c2)CCC1 ZINC000414015096 241024132 /nfs/dbraw/zinc/02/41/32/241024132.db2.gz XXRANBLDGKRYMP-UHFFFAOYSA-N -1 3 297.376 1.337 10 0 CDAEHM CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)c1ccccc1[O-] ZINC000414021846 241028545 /nfs/dbraw/zinc/02/85/45/241028545.db2.gz SSWXBUNLBLOHRJ-NSHDSACASA-N -1 3 276.336 1.521 10 0 CDAEHM C[C@@H]1CCCN1S(=O)(=O)Nc1cc([O-])c(F)cc1F ZINC000414400933 241184117 /nfs/dbraw/zinc/18/41/17/241184117.db2.gz XKIDLHZRYRPFSN-SSDOTTSWSA-N -1 3 292.307 1.811 10 0 CDAEHM CCN1CCN(CC(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000357393977 366970643 /nfs/dbraw/zinc/97/06/43/366970643.db2.gz QOEXOXIGHWAUBL-UHFFFAOYSA-N -1 3 297.786 1.622 10 0 CDAEHM COc1nnc(NC(=O)c2cccc3c2OCC3(C)C)[n-]1 ZINC000279666655 367085749 /nfs/dbraw/zinc/08/57/49/367085749.db2.gz GAVWBYQVUJSUDA-UHFFFAOYSA-N -1 3 288.307 1.736 10 0 CDAEHM COc1nc(NC(=O)c2cccc3c2OCC3(C)C)n[n-]1 ZINC000279666655 367085755 /nfs/dbraw/zinc/08/57/55/367085755.db2.gz GAVWBYQVUJSUDA-UHFFFAOYSA-N -1 3 288.307 1.736 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cccc3c2OCC3(C)C)n1 ZINC000279666655 367085760 /nfs/dbraw/zinc/08/57/60/367085760.db2.gz GAVWBYQVUJSUDA-UHFFFAOYSA-N -1 3 288.307 1.736 10 0 CDAEHM COc1cccc(C(=O)N2CCNC[C@H]2C(F)F)c1[O-] ZINC000516868190 367199674 /nfs/dbraw/zinc/19/96/74/367199674.db2.gz XLOCLUCGZRQURE-VIFPVBQESA-N -1 3 286.278 1.080 10 0 CDAEHM COC(=O)c1cc(C(=O)[N-]c2nc(C)c(C)s2)no1 ZINC000280674524 367480950 /nfs/dbraw/zinc/48/09/50/367480950.db2.gz BVXRREPTZPOIJN-UHFFFAOYSA-N -1 3 281.293 1.787 10 0 CDAEHM CCn1ccc(C[N-]S(=O)(=O)c2ccc(C)o2)n1 ZINC000416591419 242063174 /nfs/dbraw/zinc/06/31/74/242063174.db2.gz ULNMSMYTJGSECV-UHFFFAOYSA-N -1 3 269.326 1.283 10 0 CDAEHM O=S(=O)([N-]CC1COC1)c1cccnc1C(F)(F)F ZINC000528565617 367900907 /nfs/dbraw/zinc/90/09/07/367900907.db2.gz ULIUMLTUSWLWNI-UHFFFAOYSA-N -1 3 296.270 1.025 10 0 CDAEHM O=C(COCC(F)F)N1CCCc2cccc([O-])c21 ZINC000528937475 368039951 /nfs/dbraw/zinc/03/99/51/368039951.db2.gz GYUKCFSUHGEMPF-UHFFFAOYSA-N -1 3 271.263 1.953 10 0 CDAEHM O=C(c1cc([O-])cc(Br)c1)N1CC(CO)C1 ZINC000529017488 368061898 /nfs/dbraw/zinc/06/18/98/368061898.db2.gz KVEOBMLIDRSKGH-UHFFFAOYSA-N -1 3 286.125 1.219 10 0 CDAEHM COc1ccc(S(=O)(=O)[N-]Cc2ccnn2C)c(F)c1 ZINC000360233935 368187960 /nfs/dbraw/zinc/18/79/60/368187960.db2.gz KQAQFWRMKNXCLT-UHFFFAOYSA-N -1 3 299.327 1.046 10 0 CDAEHM Cn1c(Cn2cc(Cl)c(=O)[n-]c2=O)nnc1C1CCC1 ZINC000360945821 368563374 /nfs/dbraw/zinc/56/33/74/368563374.db2.gz HQUZQOYYRCTRAQ-UHFFFAOYSA-N -1 3 295.730 1.047 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)n[n-]1 ZINC000572582257 370930338 /nfs/dbraw/zinc/93/03/38/370930338.db2.gz VYCGZBWYIQTUOC-VHSXEESVSA-N -1 3 274.280 1.261 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)[n-]1 ZINC000572582257 370930340 /nfs/dbraw/zinc/93/03/40/370930340.db2.gz VYCGZBWYIQTUOC-VHSXEESVSA-N -1 3 274.280 1.261 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)n1 ZINC000572582257 370930346 /nfs/dbraw/zinc/93/03/46/370930346.db2.gz VYCGZBWYIQTUOC-VHSXEESVSA-N -1 3 274.280 1.261 10 0 CDAEHM Cc1cccc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1[O-] ZINC000265971207 370910249 /nfs/dbraw/zinc/91/02/49/370910249.db2.gz MWTIJLUGJXPVQN-LBPRGKRZSA-N -1 3 289.253 1.840 10 0 CDAEHM Cc1ccc([O-])c(CNC[C@@H]2CCCCS2(=O)=O)n1 ZINC000543235882 368898883 /nfs/dbraw/zinc/89/88/83/368898883.db2.gz NZBSVBKBDGEFIN-NSHDSACASA-N -1 3 284.381 1.153 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CCC2CC2)nc1=N ZINC000564294276 369258557 /nfs/dbraw/zinc/25/85/57/369258557.db2.gz ABQIHMVBPJMSTC-SNVBAGLBSA-N -1 3 263.345 1.081 10 0 CDAEHM COc1cc(=NC(=O)N2CC[C@@H](C)[C@@H]2C)[n-]n1C ZINC000547515278 369576155 /nfs/dbraw/zinc/57/61/55/369576155.db2.gz PYYZSFFYKQZXQC-BDAKNGLRSA-N -1 3 252.318 1.113 10 0 CDAEHM COc1cc(=NC(=O)N(C)Cc2ccccc2)[n-]n1C ZINC000547521732 369578971 /nfs/dbraw/zinc/57/89/71/369578971.db2.gz WAUKFSLSFBDOTQ-UHFFFAOYSA-N -1 3 274.324 1.515 10 0 CDAEHM COC(=O)CCCO[N-]C(=O)Nc1ccc(F)cc1 ZINC000289661260 369610025 /nfs/dbraw/zinc/61/00/25/369610025.db2.gz FOCLPDRYGYVUQR-UHFFFAOYSA-N -1 3 270.260 1.832 10 0 CDAEHM O=C(c1cc2c(cc1[O-])CCCC2)N1C[C@@H](O)C2(CC2)C1 ZINC000547995855 369715314 /nfs/dbraw/zinc/71/53/14/369715314.db2.gz PSQVMCRPKSDINA-OAHLLOKOSA-N -1 3 287.359 1.868 10 0 CDAEHM O=C(N[C@H]1CCc2nc[nH]c2C1)c1ccc(O)cc1[O-] ZINC000370358450 370026871 /nfs/dbraw/zinc/02/68/71/370026871.db2.gz PPYZTUJVEYCCRO-QMMMGPOBSA-N -1 3 273.292 1.108 10 0 CDAEHM O=C(N[C@H]1CCc2[nH]cnc2C1)c1ccc(O)cc1[O-] ZINC000370358450 370026876 /nfs/dbraw/zinc/02/68/76/370026876.db2.gz PPYZTUJVEYCCRO-QMMMGPOBSA-N -1 3 273.292 1.108 10 0 CDAEHM CCN1CC[C@H](NC(=O)c2ccc(OC)cc2[O-])C1 ZINC000389992096 370497526 /nfs/dbraw/zinc/49/75/26/370497526.db2.gz NNLOBYQSJBKHPB-JTQLQIEISA-N -1 3 264.325 1.225 10 0 CDAEHM CO[C@@H]1CCCC[C@@H]1C(=O)Nc1nnc(SC)[n-]1 ZINC000293145377 370530013 /nfs/dbraw/zinc/53/00/13/370530013.db2.gz ULUUNJLQQJTHPH-JGVFFNPUSA-N -1 3 270.358 1.670 10 0 CDAEHM CO[C@@H]1CCCC[C@@H]1C(=O)Nc1nc(SC)n[n-]1 ZINC000293145377 370530017 /nfs/dbraw/zinc/53/00/17/370530017.db2.gz ULUUNJLQQJTHPH-JGVFFNPUSA-N -1 3 270.358 1.670 10 0 CDAEHM CO[C@@H]1CCCC[C@@H]1C(=O)Nc1n[n-]c(SC)n1 ZINC000293145377 370530022 /nfs/dbraw/zinc/53/00/22/370530022.db2.gz ULUUNJLQQJTHPH-JGVFFNPUSA-N -1 3 270.358 1.670 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)[C@H]2C)c1 ZINC000294284795 371033185 /nfs/dbraw/zinc/03/31/85/371033185.db2.gz ULOXZZHMLXDJKA-RKDXNWHRSA-N -1 3 262.309 1.831 10 0 CDAEHM Cc1cc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)ccc1[O-] ZINC000272675750 371118816 /nfs/dbraw/zinc/11/88/16/371118816.db2.gz QZSYJBULNSMCCN-GFCCVEGCSA-N -1 3 289.253 1.840 10 0 CDAEHM 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295.383 1.259 10 0 CDAEHM C[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000333179570 205095923 /nfs/dbraw/zinc/09/59/23/205095923.db2.gz PKIWIADLFNMYRR-VWYCJHECSA-N -1 3 299.396 1.236 10 0 CDAEHM CCC[C@@H](C)[C@H](CO)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000581256428 372902235 /nfs/dbraw/zinc/90/22/35/372902235.db2.gz AKGSRUGKJWECSL-MFKMUULPSA-N -1 3 283.343 1.987 10 0 CDAEHM O=S(=O)(CCc1cccs1)NCc1ncccc1[O-] ZINC000530375114 373231633 /nfs/dbraw/zinc/23/16/33/373231633.db2.gz NMWBVSOUKDKGJS-UHFFFAOYSA-N -1 3 298.389 1.511 10 0 CDAEHM CO[C@H]1CCN(Cc2ccc(C)nc2C)[C@@H](C(=O)[O-])C1 ZINC000581737669 373232613 /nfs/dbraw/zinc/23/26/13/373232613.db2.gz NRDDZXAQHOKWEJ-UONOGXRCSA-N -1 3 278.352 1.762 10 0 CDAEHM Cc1cccnc1CCNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000582013887 373541780 /nfs/dbraw/zinc/54/17/80/373541780.db2.gz ZQRWGSHHBPYKCR-UHFFFAOYSA-N -1 3 298.346 1.736 10 0 CDAEHM CC[C@H](C)c1cccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000628432658 373744218 /nfs/dbraw/zinc/74/42/18/373744218.db2.gz 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ZINC000633521379 378512246 /nfs/dbraw/zinc/51/22/46/378512246.db2.gz JTQVRCHJCMVSSU-UHFFFAOYSA-N -1 3 287.319 1.364 10 0 CDAEHM C[C@@H](Cc1ccccc1)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633521880 378512663 /nfs/dbraw/zinc/51/26/63/378512663.db2.gz VZTQIYUCMCVWDM-JTQLQIEISA-N -1 3 287.319 1.383 10 0 CDAEHM CC[C@H](CC(=O)NCc1cc(=O)[n-]c(=O)[nH]1)C(C)C ZINC000633521802 378512750 /nfs/dbraw/zinc/51/27/50/378512750.db2.gz PGDJZEQSFYTWQV-SECBINFHSA-N -1 3 267.329 1.576 10 0 CDAEHM Cc1cc(C)c(C(=O)NCc2cc(=O)[n-]c(=O)[nH]2)s1 ZINC000633521667 378513158 /nfs/dbraw/zinc/51/31/58/378513158.db2.gz TYYUIMGLUYSJEB-UHFFFAOYSA-N -1 3 279.321 1.496 10 0 CDAEHM Cc1ccc([O-])c(CNCCC(=O)OC(C)(C)C)n1 ZINC000266133934 190233355 /nfs/dbraw/zinc/23/33/55/190233355.db2.gz DZSVWYBBKDFZKM-UHFFFAOYSA-N -1 3 266.341 1.917 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N2CC[C@](O)(C(F)F)C2)c1 ZINC000334544953 378966890 /nfs/dbraw/zinc/96/68/90/378966890.db2.gz XIDZTZLJNYJKFW-CQSZACIVSA-N -1 3 285.290 1.797 10 0 CDAEHM COc1cc(C(=O)N2C[C@H](OC)C[C@@]2(C)CO)ccc1[O-] ZINC000634073639 379021989 /nfs/dbraw/zinc/02/19/89/379021989.db2.gz XMGXJORUNBCQEG-ABAIWWIYSA-N -1 3 295.335 1.013 10 0 CDAEHM CSc1nnc(NC(=O)[C@@H]2CCC(C)(C)O2)[n-]1 ZINC000278765426 194146002 /nfs/dbraw/zinc/14/60/02/194146002.db2.gz UEXKSIBESGADDH-LURJTMIESA-N -1 3 256.331 1.423 10 0 CDAEHM CSc1n[n-]c(NC(=O)[C@@H]2CCC(C)(C)O2)n1 ZINC000278765426 194146003 /nfs/dbraw/zinc/14/60/03/194146003.db2.gz UEXKSIBESGADDH-LURJTMIESA-N -1 3 256.331 1.423 10 0 CDAEHM CSc1nc(NC(=O)[C@@H]2CCC(C)(C)O2)n[n-]1 ZINC000278765426 194146004 /nfs/dbraw/zinc/14/60/04/194146004.db2.gz UEXKSIBESGADDH-LURJTMIESA-N -1 3 256.331 1.423 10 0 CDAEHM O=C([O-])c1c[nH]c(=S)n(CCN2CCCCC2)c1=O ZINC000100101139 304218460 /nfs/dbraw/zinc/21/84/60/304218460.db2.gz JBDHCOQKLWGMBX-UHFFFAOYSA-N -1 3 283.353 1.090 10 0 CDAEHM Cn1cc(S(=O)(=O)[N-]CC(F)(F)C(C)(C)C)cn1 ZINC000660106715 412925559 /nfs/dbraw/zinc/92/55/59/412925559.db2.gz INIGPKMIBZGWBR-UHFFFAOYSA-N -1 3 281.328 1.380 10 0 CDAEHM CCC[C@H](OC)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000450113151 251138103 /nfs/dbraw/zinc/13/81/03/251138103.db2.gz NZSGUQXZVDVMDA-LBPRGKRZSA-N -1 3 289.339 1.544 10 0 CDAEHM CCC[C@H](OC)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000450113151 251138106 /nfs/dbraw/zinc/13/81/06/251138106.db2.gz NZSGUQXZVDVMDA-LBPRGKRZSA-N -1 3 289.339 1.544 10 0 CDAEHM CCOC(=O)CC[C@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450293898 251212267 /nfs/dbraw/zinc/21/22/67/251212267.db2.gz YRSMLBWZMASNRG-JTQLQIEISA-N -1 3 297.326 1.922 10 0 CDAEHM CCc1cc(C(=O)NCC[C@](C)(O)COC)ccc1[O-] ZINC000452767384 252167021 /nfs/dbraw/zinc/16/70/21/252167021.db2.gz HAKTXFUFLQJEKY-HNNXBMFYSA-N -1 3 281.352 1.472 10 0 CDAEHM C[C@@H]1N[C@H](C(=O)[O-])CS[C@]1(O)c1cccc(Cl)c1 ZINC000065739357 184569186 /nfs/dbraw/zinc/56/91/86/184569186.db2.gz NUKIHEHYUSKICU-JWYUURKGSA-N -1 3 287.768 1.663 10 0 in-vitro CDAEHM O=C([N-]c1cnns1)C(=O)NCC1CCC(F)CC1 ZINC000646896983 390210160 /nfs/dbraw/zinc/21/01/60/390210160.db2.gz PRIKDSZBPOBMAO-UHFFFAOYSA-N -1 3 286.332 1.121 10 0 CDAEHM CC[C@@H](O)CCC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358467913 390653844 /nfs/dbraw/zinc/65/38/44/390653844.db2.gz YSPARJRTPOBQSF-SNVBAGLBSA-N -1 3 261.343 1.417 10 0 CDAEHM CC(C)(O)c1nnc([N-]Cc2ccc(-c3cc[nH]n3)o2)o1 ZINC000283768374 195915501 /nfs/dbraw/zinc/91/55/01/195915501.db2.gz CNDKJPJLIWMFHE-UHFFFAOYSA-N -1 3 289.295 1.892 10 0 CDAEHM CCCC[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)C1CCC1 ZINC000158467169 390932586 /nfs/dbraw/zinc/93/25/86/390932586.db2.gz QPNAEWVSKPLYON-LLVKDONJSA-N -1 3 281.356 1.013 10 0 CDAEHM Cc1cccn2cc(CC(=O)NCc3ncccc3[O-])nc12 ZINC000527190224 390997189 /nfs/dbraw/zinc/99/71/89/390997189.db2.gz YLSIBOGAMLZXEC-UHFFFAOYSA-N -1 3 296.330 1.602 10 0 CDAEHM O=C(Cc1ccsc1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527208798 391003505 /nfs/dbraw/zinc/00/35/05/391003505.db2.gz ZDJODQRHIGWUDQ-NSHDSACASA-N -1 3 277.349 1.926 10 0 CDAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccsc1 ZINC000527208238 391004767 /nfs/dbraw/zinc/00/47/67/391004767.db2.gz VKPQKZFDQRWZHU-JTQLQIEISA-N -1 3 263.322 1.997 10 0 CDAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccccn1 ZINC000526960276 391236692 /nfs/dbraw/zinc/23/66/92/391236692.db2.gz UCKJVEVDCOCWAY-NSHDSACASA-N -1 3 258.281 1.330 10 0 CDAEHM C[C@H]1OCCC[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000189555567 391316002 /nfs/dbraw/zinc/31/60/02/391316002.db2.gz QVNIOPAQBPZKAK-MWLCHTKSSA-N -1 3 267.300 1.963 10 0 CDAEHM CCn1cnnc1[N-]C(=O)c1nc(Cl)cs1 ZINC000285955140 391540554 /nfs/dbraw/zinc/54/05/54/391540554.db2.gz VRKCTXUQBZVQRD-UHFFFAOYSA-N -1 3 257.706 1.660 10 0 CDAEHM C[C@]1(Br)C[C@@H]1c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000528221924 391645489 /nfs/dbraw/zinc/64/54/89/391645489.db2.gz RZSMGSVDIGMIAG-FWOIEVBISA-N -1 3 297.112 1.873 10 0 CDAEHM CCn1cncc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000341898634 130140239 /nfs/dbraw/zinc/14/02/39/130140239.db2.gz MYHSKJHAQFWUGY-VIFPVBQESA-N -1 3 297.302 1.522 10 0 CDAEHM COc1ncncc1CN[C@](C)(CCC(C)C)C(=O)[O-] ZINC000647645778 391774476 /nfs/dbraw/zinc/77/44/76/391774476.db2.gz MHTVFKOSSCLVAD-CQSZACIVSA-N -1 3 281.356 1.854 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2C[C@H](C)O[C@H](C)[C@@H]2C)cs1 ZINC000438781748 391963670 /nfs/dbraw/zinc/96/36/70/391963670.db2.gz BBFHTZBVRDEYBD-LPEHRKFASA-N -1 3 283.397 1.635 10 0 CDAEHM CCCn1c(=O)[n-]nc1S[C@@H](C)c1nc(C)no1 ZINC000025856725 392158869 /nfs/dbraw/zinc/15/88/69/392158869.db2.gz PPKVIFNMPKISIY-LURJTMIESA-N -1 3 269.330 1.938 10 0 CDAEHM CCc1ccc(C(=O)N2CC[C@@]23CCOC3)c([O-])c1 ZINC000422080536 392203022 /nfs/dbraw/zinc/20/30/22/392203022.db2.gz ZPRYNKDMJZGCDP-HNNXBMFYSA-N -1 3 261.321 1.960 10 0 CDAEHM CC(C)N1CCCN(C(=O)C(C)(C)C(=O)[O-])CC1 ZINC000649421658 392207511 /nfs/dbraw/zinc/20/75/11/392207511.db2.gz SMHVUANBMRFIAR-UHFFFAOYSA-N -1 3 256.346 1.040 10 0 CDAEHM CC[C@@H](C)C(=O)CSc1ncc(C(=O)OC)[n-]1 ZINC000432671470 392251822 /nfs/dbraw/zinc/25/18/22/392251822.db2.gz RCCJSLKPTVUZIN-SSDOTTSWSA-N -1 3 256.327 1.904 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2cnc3n[nH]c(C)c3c2)c[n-]1 ZINC000432882170 392290061 /nfs/dbraw/zinc/29/00/61/392290061.db2.gz WURPBZGFMITGRM-UHFFFAOYSA-N -1 3 299.290 1.633 10 0 CDAEHM CC1CCC(NC(=O)CN2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000568087741 392361969 /nfs/dbraw/zinc/36/19/69/392361969.db2.gz RVTBEDIOKLHQGT-GNRIBBGQSA-N -1 3 296.411 1.724 10 0 CDAEHM O=S(=O)([N-][C@@H]1CC[C@@H]2C[C@@H]2C1)c1cnn2c1OCCC2 ZINC000645872469 392442387 /nfs/dbraw/zinc/44/23/87/392442387.db2.gz MVMLIACZLBABQE-GMTAPVOTSA-N -1 3 297.380 1.133 10 0 CDAEHM Cc1ccc(C(=O)N2CN(C)C(=O)[C@@H]2C)c([O-])c1C ZINC000649159567 392886851 /nfs/dbraw/zinc/88/68/51/392886851.db2.gz QJOLPOHXMVFAFO-JTQLQIEISA-N -1 3 262.309 1.269 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1(C(=O)C2CC2)CC1 ZINC000649229333 393120992 /nfs/dbraw/zinc/12/09/92/393120992.db2.gz WSXVCMLBOSKMKF-UHFFFAOYSA-N -1 3 275.352 1.961 10 0 CDAEHM CCc1ccc(S(=O)(=O)[N-]CCCF)s1 ZINC000134507028 393266638 /nfs/dbraw/zinc/26/66/38/393266638.db2.gz WHLCSLNTXAPFPJ-UHFFFAOYSA-N -1 3 251.348 1.948 10 0 CDAEHM COc1cc(=NC(=O)NCC2CC(C)(C)C2)[n-]n1C ZINC000548736010 393362325 /nfs/dbraw/zinc/36/23/25/393362325.db2.gz JRGOYNKJPOYLEI-UHFFFAOYSA-N -1 3 266.345 1.408 10 0 CDAEHM O=C(c1ccc([O-])c(Cl)c1)N1CCN2CCC1CC2 ZINC000188853378 140103711 /nfs/dbraw/zinc/10/37/11/140103711.db2.gz HEUNRQQBCZSWHA-UHFFFAOYSA-N -1 3 280.755 1.966 10 0 CDAEHM Cc1ccn2ncc(C(=O)[N-]c3ncn(C(C)C)n3)c2n1 ZINC000650280737 397848634 /nfs/dbraw/zinc/84/86/34/397848634.db2.gz IGBXSUGADJLXOV-UHFFFAOYSA-N -1 3 285.311 1.462 10 0 CDAEHM Cc1ccc(NC(=O)c2cccc([O-])c2)cc1-n1cnnn1 ZINC000181949606 148232104 /nfs/dbraw/zinc/23/21/04/148232104.db2.gz RQGKDOHIYLOFBO-UHFFFAOYSA-N -1 3 295.302 1.929 10 0 CDAEHM CCc1c(C(=O)Nc2nnc(OC)[n-]2)cnn1CC(C)C ZINC000182987172 148279981 /nfs/dbraw/zinc/27/99/81/148279981.db2.gz UVEVUBJZLFSLCP-UHFFFAOYSA-N -1 3 292.343 1.481 10 0 CDAEHM CCc1c(C(=O)Nc2n[n-]c(OC)n2)cnn1CC(C)C ZINC000182987172 148279985 /nfs/dbraw/zinc/27/99/85/148279985.db2.gz UVEVUBJZLFSLCP-UHFFFAOYSA-N -1 3 292.343 1.481 10 0 CDAEHM CCc1c(C(=O)Nc2nc(OC)n[n-]2)cnn1CC(C)C ZINC000182987172 148279989 /nfs/dbraw/zinc/27/99/89/148279989.db2.gz UVEVUBJZLFSLCP-UHFFFAOYSA-N -1 3 292.343 1.481 10 0 CDAEHM COc1nnc(NC(=O)c2cn(C)nc2-c2ccccc2)[n-]1 ZINC000183000442 148282269 /nfs/dbraw/zinc/28/22/69/148282269.db2.gz WOFNRBWKLADLNS-UHFFFAOYSA-N -1 3 298.306 1.466 10 0 CDAEHM COc1nc(NC(=O)c2cn(C)nc2-c2ccccc2)n[n-]1 ZINC000183000442 148282272 /nfs/dbraw/zinc/28/22/72/148282272.db2.gz WOFNRBWKLADLNS-UHFFFAOYSA-N -1 3 298.306 1.466 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cn(C)nc2-c2ccccc2)n1 ZINC000183000442 148282275 /nfs/dbraw/zinc/28/22/75/148282275.db2.gz WOFNRBWKLADLNS-UHFFFAOYSA-N -1 3 298.306 1.466 10 0 CDAEHM CCn1ccnc1C[S@](=O)c1cccc([O-])c1 ZINC000184049596 148327197 /nfs/dbraw/zinc/32/71/97/148327197.db2.gz LKGGOTHJMLZSLA-KRWDZBQOSA-N -1 3 250.323 1.916 10 0 CDAEHM O=C(CCOc1ccccc1)NCc1ncccc1[O-] ZINC000352498590 155228856 /nfs/dbraw/zinc/22/88/56/155228856.db2.gz BWHJNXDGZHLXPJ-UHFFFAOYSA-N -1 3 272.304 1.873 10 0 CDAEHM CNC(=O)[C@H]1CCCN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000334228801 149371273 /nfs/dbraw/zinc/37/12/73/149371273.db2.gz HHWYYLXBAPEUNE-GFCCVEGCSA-N -1 3 276.336 1.360 10 0 CDAEHM Cn1cccc(C(=O)Nc2cc(F)ccc2[O-])c1=O ZINC000334232775 149375706 /nfs/dbraw/zinc/37/57/06/149375706.db2.gz NKDJIIJVUZVQPC-UHFFFAOYSA-N -1 3 262.240 1.482 10 0 CDAEHM CN(C)Cc1cccc(C(=O)NCc2ncccc2[O-])c1 ZINC000352509936 155237664 /nfs/dbraw/zinc/23/76/64/155237664.db2.gz QOTOGVCOTRKAGD-UHFFFAOYSA-N -1 3 285.347 1.779 10 0 CDAEHM O=C(CCc1nccs1)NCc1ncccc1[O-] ZINC000352515939 155242696 /nfs/dbraw/zinc/24/26/96/155242696.db2.gz IZNNBKHIOXISRT-UHFFFAOYSA-N -1 3 263.322 1.493 10 0 CDAEHM O=C(COc1ccc(O)cc1)NCc1ncccc1[O-] ZINC000352518806 155244429 /nfs/dbraw/zinc/24/44/29/155244429.db2.gz ZNMATQJGYNQSBH-UHFFFAOYSA-N -1 3 274.276 1.188 10 0 CDAEHM COc1ccc(F)cc1C(=O)NCc1ncccc1[O-] ZINC000352517758 155244757 /nfs/dbraw/zinc/24/47/57/155244757.db2.gz RTCJJMQQNGLYTJ-UHFFFAOYSA-N -1 3 276.267 1.865 10 0 CDAEHM O=C(CCc1ccncc1)NCc1ncccc1[O-] ZINC000352518857 155245386 /nfs/dbraw/zinc/24/53/86/155245386.db2.gz ZZCZHUZYXLCOPE-UHFFFAOYSA-N -1 3 257.293 1.431 10 0 CDAEHM COc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C)OC)c(F)c1 ZINC000352532417 155253683 /nfs/dbraw/zinc/25/36/83/155253683.db2.gz UXZRKORSSZQKEK-RKDXNWHRSA-N -1 3 291.344 1.536 10 0 CDAEHM Cc1ccoc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000335788005 151019934 /nfs/dbraw/zinc/01/99/34/151019934.db2.gz TTZMZMKAKAJYIW-SNVBAGLBSA-N -1 3 261.281 1.837 10 0 CDAEHM Cc1ccc(CNC(=O)c2cccc([O-])c2)c(=O)n1C ZINC000336102249 151269890 /nfs/dbraw/zinc/26/98/90/151269890.db2.gz BHFRLFQRIQLLKT-UHFFFAOYSA-N -1 3 272.304 1.329 10 0 CDAEHM Cn1cnc([N-]C(=O)c2coc(Br)c2)n1 ZINC000336234119 151379417 /nfs/dbraw/zinc/37/94/17/151379417.db2.gz ZMFYEIMTDOJZEL-UHFFFAOYSA-N -1 3 271.074 1.423 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2cc(CO)ccc2C)c[n-]1 ZINC000343132020 152044544 /nfs/dbraw/zinc/04/45/44/152044544.db2.gz GOGGTCJJRWBBRS-UHFFFAOYSA-N -1 3 288.303 1.854 10 0 CDAEHM CCc1ocnc1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000352677948 155356320 /nfs/dbraw/zinc/35/63/20/155356320.db2.gz MBJLJCVIOMKDRJ-UHFFFAOYSA-N -1 3 283.291 1.696 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCCc2nccs2)o1 ZINC000352733443 155397828 /nfs/dbraw/zinc/39/78/28/155397828.db2.gz HVQWRXSYPRZHIR-UHFFFAOYSA-N -1 3 286.378 1.956 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2ncccc2N(C)C)o1 ZINC000352734564 155399315 /nfs/dbraw/zinc/39/93/15/155399315.db2.gz LWJXJKQAYIMUPM-UHFFFAOYSA-N -1 3 295.364 1.528 10 0 CDAEHM O=C(N[C@H](CO)c1ccsc1)c1ccc2n[n-]nc2c1 ZINC000354262616 156357052 /nfs/dbraw/zinc/35/70/52/156357052.db2.gz BOJASEBNMCGKFG-GFCCVEGCSA-N -1 3 288.332 1.483 10 0 CDAEHM Cc1ccc(CN(CCO)Cc2nc(C)ccc2[O-])o1 ZINC000355644590 157163587 /nfs/dbraw/zinc/16/35/87/157163587.db2.gz APSJUWZXUPCMEI-UHFFFAOYSA-N -1 3 276.336 1.992 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)C[C@H](C)O)o1 ZINC000358422186 157935518 /nfs/dbraw/zinc/93/55/18/157935518.db2.gz AZNGWAUSSZSQDM-BDAKNGLRSA-N -1 3 261.343 1.273 10 0 CDAEHM CCc1ncc(S(=O)(=O)[N-][C@H](C)[C@@H](C)CO)s1 ZINC000359208992 158163688 /nfs/dbraw/zinc/16/36/88/158163688.db2.gz DPADWLXZOPCTNU-JGVFFNPUSA-N -1 3 278.399 1.001 10 0 CDAEHM CSc1nnc(NC(=O)c2cnn(C)c2SC)[n-]1 ZINC000359422297 158242306 /nfs/dbraw/zinc/24/23/06/158242306.db2.gz AXSYKVDNKZQFFS-UHFFFAOYSA-N -1 3 284.370 1.234 10 0 CDAEHM CSc1n[n-]c(NC(=O)c2cnn(C)c2SC)n1 ZINC000359422297 158242310 /nfs/dbraw/zinc/24/23/10/158242310.db2.gz AXSYKVDNKZQFFS-UHFFFAOYSA-N -1 3 284.370 1.234 10 0 CDAEHM CSc1nc(NC(=O)c2cnn(C)c2SC)n[n-]1 ZINC000359422297 158242313 /nfs/dbraw/zinc/24/23/13/158242313.db2.gz AXSYKVDNKZQFFS-UHFFFAOYSA-N -1 3 284.370 1.234 10 0 CDAEHM CCN(Cc1cn(C)nn1)C(=O)c1cccc([O-])c1 ZINC000359607333 158307661 /nfs/dbraw/zinc/30/76/61/158307661.db2.gz SAFXWHHGSKPWGQ-UHFFFAOYSA-N -1 3 260.297 1.183 10 0 CDAEHM COc1cc(C(=O)N2CCOCC[C@@H]2C)cc(OC)c1[O-] ZINC000362474847 159157084 /nfs/dbraw/zinc/15/70/84/159157084.db2.gz VBAPPPFUWFYCSF-JTQLQIEISA-N -1 3 295.335 1.660 10 0 CDAEHM CO[N-]C(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001588187352 1173014447 /nfs/dbraw/zinc/01/44/47/1173014447.db2.gz OXJKZDSKSJKIPV-UTLUCORTSA-N -1 3 270.329 1.452 10 0 CDAEHM Cc1ccc(CN)cc1S(=O)(=O)[N-]c1ncccn1 ZINC000020189588 171056166 /nfs/dbraw/zinc/05/61/66/171056166.db2.gz FWKVGBKVUAIGFN-UHFFFAOYSA-N -1 3 278.337 1.045 10 0 CDAEHM Cc1cc(C)c(CNC(=O)c2csc(=O)[n-]2)c(=O)[nH]1 ZINC000546722734 289747246 /nfs/dbraw/zinc/74/72/46/289747246.db2.gz ULYYCBIIHOHZIR-UHFFFAOYSA-N -1 3 279.321 1.496 10 0 CDAEHM CC(C)OC[C@H](N)C(=O)N1CCCc2cccc([O-])c21 ZINC000662787409 413501941 /nfs/dbraw/zinc/50/19/41/413501941.db2.gz QBZNSPRZSGKLEU-LBPRGKRZSA-N -1 3 278.352 1.424 10 0 CDAEHM NC1(C(=O)NCc2ncccc2[O-])CC2(CCC2)C1 ZINC000662791128 413503882 /nfs/dbraw/zinc/50/38/82/413503882.db2.gz SWKAWXFFJITFRA-UHFFFAOYSA-N -1 3 261.325 1.065 10 0 CDAEHM Cc1ccccc1[C@@H](C)NC(=O)CSC[C@@H](N)C(=O)[O-] ZINC000035083067 171968723 /nfs/dbraw/zinc/96/87/23/171968723.db2.gz VFOKTDFSXYUAOC-ZYHUDNBSSA-N -1 3 296.392 1.317 10 0 CDAEHM Cc1ccccc1[C@H](C)NC(=O)CNCCC(=O)[O-] ZINC000035386233 172168023 /nfs/dbraw/zinc/16/80/23/172168023.db2.gz YLQWLVUINYWWMY-NSHDSACASA-N -1 3 264.325 1.237 10 0 CDAEHM O=C([O-])CCNCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000035386659 172168881 /nfs/dbraw/zinc/16/88/81/172168881.db2.gz HOJDWYLZWGTSIQ-UHFFFAOYSA-N -1 3 291.134 1.996 10 0 CDAEHM Cc1oc(CN2CCCN(C)CC2)cc1C(=O)[O-] ZINC000035432217 172200593 /nfs/dbraw/zinc/20/05/93/172200593.db2.gz LDOHIVRWYPUBOU-UHFFFAOYSA-N -1 3 252.314 1.424 10 0 CDAEHM CC(C)C[C@H](N)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656855205 413740208 /nfs/dbraw/zinc/74/02/08/413740208.db2.gz CLJZYRISJIPVCF-YFKTTZPYSA-N -1 3 284.400 1.611 10 0 CDAEHM O=C([O-])[C@@H](C(=O)N1CCN2CCC1CC2)C1CCCC1 ZINC000663042233 413852936 /nfs/dbraw/zinc/85/29/36/413852936.db2.gz QGSLFHSPMCQWGX-CYBMUJFWSA-N -1 3 280.368 1.184 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-]CC[C@]2(C)CC2(F)F)cn1C ZINC000657158996 413986477 /nfs/dbraw/zinc/98/64/77/413986477.db2.gz BVPVZYHCNRDIJR-SNVBAGLBSA-N -1 3 293.339 1.442 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2C[C@H](C)C(O)[C@@H](C)C2)n1 ZINC000661626676 414228228 /nfs/dbraw/zinc/22/82/28/414228228.db2.gz OKBSDJWVTVHLGA-UWVGGRQHSA-N -1 3 265.357 1.193 10 0 CDAEHM O=C(c1cccc2[n-]nnc21)N1CC2(CC2(F)F)C1 ZINC000655185388 414163295 /nfs/dbraw/zinc/16/32/95/414163295.db2.gz LPIDFRRRRHLWKY-UHFFFAOYSA-N -1 3 264.235 1.439 10 0 CDAEHM O=C(c1cccc2nn[n-]c21)N1CC2(CC2(F)F)C1 ZINC000655185388 414163303 /nfs/dbraw/zinc/16/33/03/414163303.db2.gz LPIDFRRRRHLWKY-UHFFFAOYSA-N -1 3 264.235 1.439 10 0 CDAEHM O=C(c1cccc2n[n-]nc21)N1CC2(CC2(F)F)C1 ZINC000655185388 414163311 /nfs/dbraw/zinc/16/33/11/414163311.db2.gz LPIDFRRRRHLWKY-UHFFFAOYSA-N -1 3 264.235 1.439 10 0 CDAEHM CO[C@@](C)(CO)CNCc1cccc([O-])c1Cl ZINC000655807696 414204137 /nfs/dbraw/zinc/20/41/37/414204137.db2.gz RKCUSKMTECZZSU-GFCCVEGCSA-N -1 3 259.733 1.533 10 0 CDAEHM CCCN(CC(=O)[O-])Cc1nc2ccccc2[nH]c1=O ZINC000038021505 174001268 /nfs/dbraw/zinc/00/12/68/174001268.db2.gz KVYIDZFKTDJEIS-UHFFFAOYSA-N -1 3 275.308 1.220 10 0 CDAEHM CCN(CCC(=O)[O-])CC(=O)NCCc1cccs1 ZINC000038024636 174007859 /nfs/dbraw/zinc/00/78/59/174007859.db2.gz KWHJUJHEPBUVTL-UHFFFAOYSA-N -1 3 284.381 1.203 10 0 CDAEHM Cc1nc(N)[n-]c(=O)c1CC(=O)N1c2ccccc2C[C@@H]1C ZINC000040105198 174191081 /nfs/dbraw/zinc/19/10/81/174191081.db2.gz AQAJSXCHFLXAAT-VIFPVBQESA-N -1 3 298.346 1.181 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(N)=S ZINC000040363076 174246964 /nfs/dbraw/zinc/24/69/64/174246964.db2.gz IHUNOCQTLUPSMX-MRVPVSSYSA-N -1 3 276.358 1.169 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(N)=S ZINC000040362979 174247132 /nfs/dbraw/zinc/24/71/32/174247132.db2.gz FIXPTYPANYKOBD-RXMQYKEDSA-N -1 3 298.842 1.745 10 0 CDAEHM CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000040469715 174278460 /nfs/dbraw/zinc/27/84/60/174278460.db2.gz FXECOXXRGVAARQ-HONMWMINSA-N -1 3 290.363 1.398 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)Nc1ccccc1C(=O)[O-] ZINC000040472802 174280571 /nfs/dbraw/zinc/28/05/71/174280571.db2.gz LNOGCPRXWDNWLJ-KWQFWETISA-N -1 3 250.298 1.697 10 0 CDAEHM C[C@@](N)(C(=O)NCCc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000040483159 174286492 /nfs/dbraw/zinc/28/64/92/174286492.db2.gz QHYVNWFNBZKIKL-HNNXBMFYSA-N -1 3 276.336 1.171 10 0 CDAEHM CCCC[C@H](N)C(=O)N(CCC(=O)[O-])C(C)(C)C ZINC000040484521 174288048 /nfs/dbraw/zinc/28/80/48/174288048.db2.gz MXYRVHLQRKRRMA-JTQLQIEISA-N -1 3 258.362 1.606 10 0 CDAEHM CO[C@@H]1CN[C@@H](C(=O)Nc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000040637019 174362134 /nfs/dbraw/zinc/36/21/34/174362134.db2.gz UYOSOFRRLBWAMO-GZMMTYOYSA-N -1 3 298.726 1.354 10 0 CDAEHM Cc1cc(C)n2cc(CN[C@@H](CC(C)C)C(=O)[O-])nc2n1 ZINC000043442714 175046555 /nfs/dbraw/zinc/04/65/55/175046555.db2.gz AYYFXIRHDUWZEY-ZDUSSCGKSA-N -1 3 290.367 1.935 10 0 CDAEHM CC(=O)N[C@@H]1CCc2nc(=S)[n-]c(C(F)(F)F)c2C1 ZINC000043464153 175052430 /nfs/dbraw/zinc/05/24/30/175052430.db2.gz DORJMYWUCNRLBX-ZCFIWIBFSA-N -1 3 291.298 1.778 10 0 CDAEHM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCCCN1 ZINC000043594651 175075378 /nfs/dbraw/zinc/07/53/78/175075378.db2.gz MQQPXIUIYDUPGF-KGLIPLIRSA-N -1 3 288.347 1.339 10 0 CDAEHM CC(C)c1ccccc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000044249243 175156369 /nfs/dbraw/zinc/15/63/69/175156369.db2.gz VPNUCAWVHVCSJI-NSHDSACASA-N -1 3 275.308 1.347 10 0 CDAEHM CCC[C@H](NC(=O)NC[C@H]1CCCCN1C)C(=O)[O-] ZINC000044565673 175208265 /nfs/dbraw/zinc/20/82/65/175208265.db2.gz FQGGTYZVRLKMPZ-MNOVXSKESA-N -1 3 271.361 1.023 10 0 CDAEHM CN1CCCC[C@H]1CNC(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000044565786 175208580 /nfs/dbraw/zinc/20/85/80/175208580.db2.gz HVIZBMYQILEOSX-SMDDNHRTSA-N -1 3 283.372 1.023 10 0 CDAEHM CCNCC(=O)N(CC(=O)[O-])c1cccc(Cl)c1 ZINC000044651099 175224714 /nfs/dbraw/zinc/22/47/14/175224714.db2.gz CDGLPQOVYCYRKK-UHFFFAOYSA-N -1 3 270.716 1.367 10 0 CDAEHM N[C@@H](C(=O)[O-])[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000044713546 175236062 /nfs/dbraw/zinc/23/60/62/175236062.db2.gz PAXQHHPDKPCSDJ-QWHCGFSZSA-N -1 3 292.335 1.590 10 0 CDAEHM O=C(NCc1cccnc1-n1ccnc1)c1ccccc1[O-] ZINC000044899423 175274671 /nfs/dbraw/zinc/27/46/71/175274671.db2.gz QOWCJUJUNXLYMY-UHFFFAOYSA-N -1 3 294.314 1.903 10 0 CDAEHM CNC(=O)CCNc1c(C(=O)[O-])cnc2ccccc21 ZINC000045011144 175290058 /nfs/dbraw/zinc/29/00/58/175290058.db2.gz ADXOXHAMULWMHV-UHFFFAOYSA-N -1 3 273.292 1.481 10 0 CDAEHM CN(C)[C@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000071140093 176038250 /nfs/dbraw/zinc/03/82/50/176038250.db2.gz WPWYTRGVOGXXCA-JTQLQIEISA-N -1 3 268.744 1.822 10 0 CDAEHM CN(C)CCOc1ncnc2cc(C(=O)[O-])ccc21 ZINC000071141278 176039454 /nfs/dbraw/zinc/03/94/54/176039454.db2.gz BMXRHFHCWBHKJA-UHFFFAOYSA-N -1 3 261.281 1.268 10 0 CDAEHM COc1cc(=NC(=O)N2C[C@H](C)C[C@H](C)C2)[n-]n1C ZINC000547515440 289783476 /nfs/dbraw/zinc/78/34/76/289783476.db2.gz BWQNELTZMISMFR-AOOOYVTPSA-N -1 3 266.345 1.360 10 0 CDAEHM Cc1nc(C(=O)N(C)C[C@@H]2CCN(C)C2)ccc1C(=O)[O-] ZINC000071192893 176074342 /nfs/dbraw/zinc/07/43/42/176074342.db2.gz OPKTWLOXQVFZGT-LLVKDONJSA-N -1 3 291.351 1.112 10 0 CDAEHM Cn1ccnc1C[N-]S(=O)(=O)c1cnc(Cl)s1 ZINC000071276014 176106643 /nfs/dbraw/zinc/10/66/43/176106643.db2.gz MVPMTFTUSWNTRD-UHFFFAOYSA-N -1 3 292.773 1.009 10 0 CDAEHM COc1ccc(-c2nc3c([nH]2)[C@@H](C(=O)[O-])NCC3)cc1C ZINC000077459175 177271221 /nfs/dbraw/zinc/27/12/21/177271221.db2.gz JONOUTYAILTPMX-ZDUSSCGKSA-N -1 3 287.319 1.665 10 0 CDAEHM CCC[C@@](C)(N)C(=O)NCC[C@H](C)CCC(=O)[O-] ZINC000079064019 177425236 /nfs/dbraw/zinc/42/52/36/177425236.db2.gz LNPXXRTUVKPDGS-ZWNOBZJWSA-N -1 3 258.362 1.511 10 0 CDAEHM CC[C@@H](OCCNC(=O)c1c[n-]nn1)c1ccccc1 ZINC000652754242 423971566 /nfs/dbraw/zinc/97/15/66/423971566.db2.gz CQTDPUIKJVFXJQ-CYBMUJFWSA-N -1 3 274.324 1.702 10 0 CDAEHM CC[C@@H](OCCNC(=O)c1cnn[n-]1)c1ccccc1 ZINC000652754242 423971573 /nfs/dbraw/zinc/97/15/73/423971573.db2.gz CQTDPUIKJVFXJQ-CYBMUJFWSA-N -1 3 274.324 1.702 10 0 CDAEHM CC[C@@H](OCCNC(=O)c1cn[n-]n1)c1ccccc1 ZINC000652754242 423971583 /nfs/dbraw/zinc/97/15/83/423971583.db2.gz CQTDPUIKJVFXJQ-CYBMUJFWSA-N -1 3 274.324 1.702 10 0 CDAEHM COCC1(CNC(=O)c2cc(OC)c([O-])c(OC)c2)CC1 ZINC000655261137 424194199 /nfs/dbraw/zinc/19/41/99/424194199.db2.gz NMZGTNIGBJGQTB-UHFFFAOYSA-N -1 3 295.335 1.566 10 0 CDAEHM Cc1c(-c2ccccc2)sc2[n-]c(CC(N)=O)nc(=O)c12 ZINC000048275912 424167823 /nfs/dbraw/zinc/16/78/23/424167823.db2.gz WLCOEGRTNJTFCB-UHFFFAOYSA-N -1 3 299.355 1.988 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)N1CC[C@@]2(O)C[C@H]2C1 ZINC000664191632 424174997 /nfs/dbraw/zinc/17/49/97/424174997.db2.gz AMXOKKVWBYDISS-IINYFYTJSA-N -1 3 280.299 1.198 10 0 CDAEHM CN(C)CCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000653277767 424314256 /nfs/dbraw/zinc/31/42/56/424314256.db2.gz VIDRNMUMKQZTOC-OLZOCXBDSA-N -1 3 282.384 1.288 10 0 CDAEHM COc1ccccc1[C@@H]1CCCN1CCOCC(=O)[O-] ZINC000652408980 424387237 /nfs/dbraw/zinc/38/72/37/424387237.db2.gz YVSHZDBUDCRQDQ-ZDUSSCGKSA-N -1 3 279.336 1.933 10 0 CDAEHM CC(C)(C)O[C@H]1C[C@H](NC(=O)c2csc(=O)[n-]2)C1 ZINC000655311099 424413788 /nfs/dbraw/zinc/41/37/88/424413788.db2.gz QMIBJELCDBAZMC-ZKCHVHJHSA-N -1 3 270.354 1.925 10 0 CDAEHM C[C@@H]1CC[C@H](C)N1CC(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000653318071 424566998 /nfs/dbraw/zinc/56/69/98/424566998.db2.gz VKGILUUAJZGSIN-USZNOCQGSA-N -1 3 268.357 1.323 10 0 CDAEHM Cc1ccc([O-])c(CN2CCOC[C@H]2c2ccnn2C)n1 ZINC000652054767 424636024 /nfs/dbraw/zinc/63/60/24/424636024.db2.gz LCXVTVXETMAMFF-AWEZNQCLSA-N -1 3 288.351 1.403 10 0 CDAEHM O=C([O-])[C@H](C(=O)N1CCCN(C2CCCC2)CC1)C1CC1 ZINC000663112775 424653809 /nfs/dbraw/zinc/65/38/09/424653809.db2.gz ASERWZMCDRUKLV-AWEZNQCLSA-N -1 3 294.395 1.574 10 0 CDAEHM C[C@]1(C(=O)[O-])CCCN1CCn1cc(Cl)cn1 ZINC000312905955 424659600 /nfs/dbraw/zinc/65/96/00/424659600.db2.gz YBQSNISXDNDAJU-LLVKDONJSA-N -1 3 257.721 1.476 10 0 CDAEHM C[C@H](C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1)C1CCCC1 ZINC000651978428 424605610 /nfs/dbraw/zinc/60/56/10/424605610.db2.gz KTGRIMDCJSTXDP-JQWIXIFHSA-N -1 3 291.399 1.717 10 0 CDAEHM CC(C)[C@@](C)(CO)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000398601822 270355990 /nfs/dbraw/zinc/35/59/90/270355990.db2.gz ZAFLUFSMSGEOSQ-MRXNPFEDSA-N -1 3 288.347 1.665 10 0 CDAEHM COc1nnc(NC(=O)c2ccc3c(C)cc(=O)[nH]c3c2)[n-]1 ZINC000486959304 278079246 /nfs/dbraw/zinc/07/92/46/278079246.db2.gz VNHUCCSMAHZCSD-UHFFFAOYSA-N -1 3 299.290 1.628 10 0 CDAEHM COc1nc(NC(=O)c2ccc3c(C)cc(=O)[nH]c3c2)n[n-]1 ZINC000486959304 278079248 /nfs/dbraw/zinc/07/92/48/278079248.db2.gz VNHUCCSMAHZCSD-UHFFFAOYSA-N -1 3 299.290 1.628 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc3c(C)cc(=O)[nH]c3c2)n1 ZINC000486959304 278079249 /nfs/dbraw/zinc/07/92/49/278079249.db2.gz VNHUCCSMAHZCSD-UHFFFAOYSA-N -1 3 299.290 1.628 10 0 CDAEHM C[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccc([O-])cc1 ZINC000049502698 278253855 /nfs/dbraw/zinc/25/38/55/278253855.db2.gz RZIYAAMDGHYXOQ-LBPRGKRZSA-N -1 3 298.408 1.545 10 0 CDAEHM Cc1cc(COCC(=O)[N-]c2onc(C)c2C)on1 ZINC000549183269 289960167 /nfs/dbraw/zinc/96/01/67/289960167.db2.gz DLBYMOBMMHUCTF-UHFFFAOYSA-N -1 3 265.269 1.743 10 0 CDAEHM CCCc1c(N)nc(C2(N)CCCCC2)[n-]c1=O ZINC000071859362 278981133 /nfs/dbraw/zinc/98/11/33/278981133.db2.gz OIWZHTGMSDGTOD-UHFFFAOYSA-N -1 3 250.346 1.423 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)c2cc[nH]c2)n[n-]1 ZINC000119292064 279360603 /nfs/dbraw/zinc/36/06/03/279360603.db2.gz VHAMVKYLBZOIBL-UHFFFAOYSA-N -1 3 256.269 1.391 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)c2cc[nH]c2)[n-]n1 ZINC000119292064 279360606 /nfs/dbraw/zinc/36/06/06/279360606.db2.gz VHAMVKYLBZOIBL-UHFFFAOYSA-N -1 3 256.269 1.391 10 0 CDAEHM Cc1cccc(C(=O)N2CC(NC(=O)C3CCC3)C2)c1[O-] ZINC000188499316 279941207 /nfs/dbraw/zinc/94/12/07/279941207.db2.gz VXHPRRPFVIMCBV-UHFFFAOYSA-N -1 3 288.347 1.441 10 0 CDAEHM CCCCS(=O)(=O)[N-]Cc1noc(-c2ccccc2)n1 ZINC000193707844 280009259 /nfs/dbraw/zinc/00/92/59/280009259.db2.gz KTTGLGSXEWPPTB-UHFFFAOYSA-N -1 3 295.364 1.956 10 0 CDAEHM CCc1[n-][nH]c(=NC(=O)[C@H]2CCCOCC2)c1C ZINC000517165477 280982203 /nfs/dbraw/zinc/98/22/03/280982203.db2.gz QXNYXDQRIGVKGP-JTQLQIEISA-N -1 3 251.330 1.458 10 0 CDAEHM Cc1nnc([N-]C(=O)C(=O)c2ccc(F)cc2)n1C ZINC000544588437 289646432 /nfs/dbraw/zinc/64/64/32/289646432.db2.gz GJAPJLWTSJFPRK-UHFFFAOYSA-N -1 3 262.244 1.084 10 0 CDAEHM COc1cc(=NC(=O)[C@@H](C)c2cccs2)[n-]n1C ZINC000547493556 289780593 /nfs/dbraw/zinc/78/05/93/289780593.db2.gz NGCYWTYCQALUES-QMMMGPOBSA-N -1 3 265.338 1.654 10 0 CDAEHM COc1cc(=NC(=O)c2scnc2C(C)(C)C)[n-]n1C ZINC000547537631 289785555 /nfs/dbraw/zinc/78/55/55/289785555.db2.gz RCAXOTQVBOAJLF-UHFFFAOYSA-N -1 3 294.380 1.857 10 0 CDAEHM Cc1c(CN(C)C(=O)c2ccccc2[O-])cnn1C ZINC000547741238 289802847 /nfs/dbraw/zinc/80/28/47/289802847.db2.gz MAFJAIKNHOYKRA-UHFFFAOYSA-N -1 3 259.309 1.706 10 0 CDAEHM COc1cc(=NC(=O)NCCC2=CCCC2)[n-]n1C ZINC000548166232 289853410 /nfs/dbraw/zinc/85/34/10/289853410.db2.gz DZJHMIYRWNPQLU-UHFFFAOYSA-N -1 3 264.329 1.473 10 0 CDAEHM COc1cc(=NC(=O)c2oc(C(C)C)nc2C)[n-]n1C ZINC000551878618 290021235 /nfs/dbraw/zinc/02/12/35/290021235.db2.gz JFBRALRBHWJTGV-UHFFFAOYSA-N -1 3 278.312 1.523 10 0 CDAEHM CC(C)Oc1ncccc1[N-]S(=O)(=O)N1CCC1 ZINC000551936080 290029425 /nfs/dbraw/zinc/02/94/25/290029425.db2.gz FUYQYZMUXNPUDR-UHFFFAOYSA-N -1 3 271.342 1.231 10 0 CDAEHM Cc1ccc(C(=O)NCc2cnc(C)nc2N)c([O-])c1 ZINC000552182643 290057049 /nfs/dbraw/zinc/05/70/49/290057049.db2.gz ORGHEADFGJPYMQ-UHFFFAOYSA-N -1 3 272.308 1.142 10 0 CDAEHM CCCN1CCC[C@H]1C(=O)N=c1cc2ccccn2[n-]1 ZINC000557538261 290351714 /nfs/dbraw/zinc/35/17/14/290351714.db2.gz ZOCQBMJRWDYLQK-ZDUSSCGKSA-N -1 3 272.352 1.569 10 0 CDAEHM CCCC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000558400674 290390427 /nfs/dbraw/zinc/39/04/27/290390427.db2.gz FYLQYTACLYPXKR-GHMZBOCLSA-N -1 3 279.388 1.717 10 0 CDAEHM CC[C@H]1CC[C@H](NC(=O)N=c2cc(OC)n(C)[n-]2)CC1 ZINC000560423452 290486253 /nfs/dbraw/zinc/48/62/53/290486253.db2.gz KJDIZAMPLFWQGF-XYPYZODXSA-N -1 3 280.372 1.941 10 0 CDAEHM C[C@H]1CCC[C@H]1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000407966265 290518173 /nfs/dbraw/zinc/51/81/73/290518173.db2.gz OAEIXZGIAMWCJU-DTWKUNHWSA-N -1 3 264.329 1.167 10 0 CDAEHM COCC1(CNC(=O)N=c2cc(OC)n(C)[n-]2)CCCC1 ZINC000562605359 293156854 /nfs/dbraw/zinc/15/68/54/293156854.db2.gz PVTYZKGHXMWVQM-UHFFFAOYSA-N -1 3 296.371 1.179 10 0 CDAEHM CCCc1ncc(C[N-]S(=O)(=O)C[C@H]2CCCO2)o1 ZINC000562733415 293186743 /nfs/dbraw/zinc/18/67/43/293186743.db2.gz ZFICOPLCZKZVGB-SNVBAGLBSA-N -1 3 288.369 1.226 10 0 CDAEHM C[C@@H]1CCN(CC(=O)N[C@H]2CCCC[C@H]2C)C[C@@H]1C(=O)[O-] ZINC000563126377 293283066 /nfs/dbraw/zinc/28/30/66/293283066.db2.gz STNFJXFLSOWFIJ-MQYQWHSLSA-N -1 3 296.411 1.724 10 0 CDAEHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1cscn1 ZINC000564904465 293450643 /nfs/dbraw/zinc/45/06/43/293450643.db2.gz FMNDUDGRVIGPME-MRVPVSSYSA-N -1 3 278.399 1.219 10 0 CDAEHM O=S(=O)([N-]C[C@H](O)C1CCCCC1)c1cscn1 ZINC000565419689 293608047 /nfs/dbraw/zinc/60/80/47/293608047.db2.gz ZHTLVMLQTWLULB-JTQLQIEISA-N -1 3 290.410 1.363 10 0 CDAEHM Cc1nnsc1CN1[C@H](C)CC[C@H](C(=O)[O-])[C@@H]1C ZINC000568290489 294012025 /nfs/dbraw/zinc/01/20/25/294012025.db2.gz KWHGFCVTYFDPLW-JEZHCXPESA-N -1 3 269.370 1.920 10 0 CDAEHM CC[C@@H](C)n1ncc(C(=O)N=c2cc(OC)n(C)[n-]2)c1C ZINC000568821408 294104685 /nfs/dbraw/zinc/10/46/85/294104685.db2.gz OEEKKZZPDOEMHX-SECBINFHSA-N -1 3 291.355 1.579 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1cscn1)c1ccncc1 ZINC000571877900 294520683 /nfs/dbraw/zinc/52/06/83/294520683.db2.gz NQCCGXHFXMOAFP-JTQLQIEISA-N -1 3 283.378 1.968 10 0 CDAEHM CCC[C@@H](C)[C@H](CO)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000574995901 295086926 /nfs/dbraw/zinc/08/69/26/295086926.db2.gz MRSIAVIUNKWHKZ-RNCFNFMXSA-N -1 3 295.383 1.255 10 0 CDAEHM NC(=O)[C@@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000348247264 295103456 /nfs/dbraw/zinc/10/34/56/295103456.db2.gz QPTUQNBTTZLCNW-ZDUSSCGKSA-N -1 3 299.330 1.008 10 0 CDAEHM COc1cccc(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)c1[O-] ZINC000178661448 295288806 /nfs/dbraw/zinc/28/88/06/295288806.db2.gz NTUXDTBMOKDXTB-DZGCQCFKSA-N -1 3 299.326 1.789 10 0 CDAEHM [O-]c1cc2c(cc1-c1nc(Cn3cncn3)no1)CCCC2 ZINC000350585978 316183152 /nfs/dbraw/zinc/18/31/52/316183152.db2.gz QKJOMFRDAAIMGX-UHFFFAOYSA-N -1 3 297.318 1.961 10 0 CDAEHM O=S(=O)([N-][C@@H]1CCC[C@H]2OCC[C@H]21)c1cscn1 ZINC000571915673 316940260 /nfs/dbraw/zinc/94/02/60/316940260.db2.gz JMNHMQKGEIJZAP-IVZWLZJFSA-N -1 3 288.394 1.379 10 0 CDAEHM O=S(=O)([N-]CCN1CCCCCC1)c1cscn1 ZINC000576463717 317143080 /nfs/dbraw/zinc/14/30/80/317143080.db2.gz VQJYQGDASRBJSO-UHFFFAOYSA-N -1 3 289.426 1.297 10 0 CDAEHM Cc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)nc(C)n1 ZINC000576932067 317232668 /nfs/dbraw/zinc/23/26/68/317232668.db2.gz DEXLYPZKRVKZER-LBPRGKRZSA-N -1 3 287.323 1.342 10 0 CDAEHM CCn1cc(NC(=O)c2cccc([O-])c2)ccc1=O ZINC000182127709 323263997 /nfs/dbraw/zinc/26/39/97/323263997.db2.gz DRRCVFOSFAZWEE-UHFFFAOYSA-N -1 3 258.277 1.826 10 0 CDAEHM CC(C)[C@@H]1CN(C)CCN1C(=O)c1cccc([O-])c1 ZINC000182486448 323283322 /nfs/dbraw/zinc/28/33/22/323283322.db2.gz RDQNTHQTMHICLM-AWEZNQCLSA-N -1 3 262.353 1.804 10 0 CDAEHM CC(C)C[C@H](C)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000185534126 323391486 /nfs/dbraw/zinc/39/14/86/323391486.db2.gz HROFAXKMRJSQQW-JTQLQIEISA-N -1 3 263.341 1.337 10 0 CDAEHM COCC[C@@H](COC)NC(=O)c1ccc([O-])c(C)c1 ZINC000388976268 323798547 /nfs/dbraw/zinc/79/85/47/323798547.db2.gz PQVOUTADBMCIAM-LBPRGKRZSA-N -1 3 267.325 1.482 10 0 CDAEHM CCOC(=O)c1csc(=NCCc2cnccn2)[n-]1 ZINC000389994406 323815420 /nfs/dbraw/zinc/81/54/20/323815420.db2.gz HFMPLBJBGXYFLD-UHFFFAOYSA-N -1 3 278.337 1.186 10 0 CDAEHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@H]1NCCCC1(C)C ZINC000397036112 323858843 /nfs/dbraw/zinc/85/88/43/323858843.db2.gz CZLJIWWBXCUUFR-IJLUTSLNSA-N -1 3 282.384 1.476 10 0 CDAEHM COc1cc(=NC(=O)N2CC(C3CCCC3)C2)[n-]n1C ZINC000579068449 324092481 /nfs/dbraw/zinc/09/24/81/324092481.db2.gz FHYZXRNYHLDOKD-UHFFFAOYSA-N -1 3 278.356 1.505 10 0 CDAEHM O=C([N-]c1nnc(C2CC2)s1)c1cn(CC2CC2)nn1 ZINC000580695037 324533713 /nfs/dbraw/zinc/53/37/13/324533713.db2.gz LSOHMYUZGTXZQZ-UHFFFAOYSA-N -1 3 290.352 1.669 10 0 CDAEHM COc1cc(=NC(=O)NC[C@H]2CCOC(C)(C)C2)[n-]n1C ZINC000581293622 324702405 /nfs/dbraw/zinc/70/24/05/324702405.db2.gz NAOLZENLANMSOO-JTQLQIEISA-N -1 3 296.371 1.177 10 0 CDAEHM CCc1cccc(C(=O)NC2(CC(=O)OC)CC2)c1[O-] ZINC000583387385 325166215 /nfs/dbraw/zinc/16/62/15/325166215.db2.gz MUTRMLKUFXKJHR-UHFFFAOYSA-N -1 3 277.320 1.780 10 0 CDAEHM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])C[C@H](N2CCC2)C1 ZINC000536957816 330383600 /nfs/dbraw/zinc/38/36/00/330383600.db2.gz FMIUGFOLLFLHLB-MNOVXSKESA-N -1 3 284.356 1.402 10 0 CDAEHM CCOc1nnc(NC(=O)c2cn3ccccc3n2)[n-]1 ZINC000228775672 1159863983 /nfs/dbraw/zinc/86/39/83/1159863983.db2.gz NQPASOMYTZXGAE-UHFFFAOYSA-N -1 3 272.268 1.103 10 0 CDAEHM CCOc1nc(NC(=O)c2cn3ccccc3n2)n[n-]1 ZINC000228775672 1159863993 /nfs/dbraw/zinc/86/39/93/1159863993.db2.gz NQPASOMYTZXGAE-UHFFFAOYSA-N -1 3 272.268 1.103 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2cn3ccccc3n2)n1 ZINC000228775672 1159864005 /nfs/dbraw/zinc/86/40/05/1159864005.db2.gz NQPASOMYTZXGAE-UHFFFAOYSA-N -1 3 272.268 1.103 10 0 CDAEHM O=C([N-]c1cnns1)C(=O)N1CCC12CCCC2 ZINC000651914069 482455525 /nfs/dbraw/zinc/45/55/25/482455525.db2.gz OLBXZVZDBUFCHP-UHFFFAOYSA-N -1 3 266.326 1.022 10 0 CDAEHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C1CC2(CC2)C1 ZINC000668444411 482440622 /nfs/dbraw/zinc/44/06/22/482440622.db2.gz MUMWYLCLVZLCOL-UHFFFAOYSA-N -1 3 283.335 1.673 10 0 CDAEHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C1CC2(CC2)C1 ZINC000668444411 482440623 /nfs/dbraw/zinc/44/06/23/482440623.db2.gz MUMWYLCLVZLCOL-UHFFFAOYSA-N -1 3 283.335 1.673 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1CCC2(CCCC2)O1)c1c[nH]cn1 ZINC000655674494 482579540 /nfs/dbraw/zinc/57/95/40/482579540.db2.gz SVFVEVNNJIEEET-JTQLQIEISA-N -1 3 285.369 1.180 10 0 CDAEHM COc1cncc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1 ZINC000672430699 482582144 /nfs/dbraw/zinc/58/21/44/482582144.db2.gz CQMUCSPJIHETKU-SNVBAGLBSA-N -1 3 292.307 1.556 10 0 CDAEHM CCn1cncc1S(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000673586813 482622618 /nfs/dbraw/zinc/62/26/18/482622618.db2.gz CKPDUYLQDQPNJK-UHFFFAOYSA-N -1 3 293.339 1.759 10 0 CDAEHM Cc1nc(CS(=O)(=O)[N-]Cc2cscn2)cs1 ZINC000684098980 482646777 /nfs/dbraw/zinc/64/67/77/482646777.db2.gz JNAFQWOULYXAAR-UHFFFAOYSA-N -1 3 289.407 1.528 10 0 CDAEHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(N)cc2F)o1 ZINC000231736036 482685553 /nfs/dbraw/zinc/68/55/53/482685553.db2.gz GULPMENNHGMROS-MRVPVSSYSA-N -1 3 299.327 1.744 10 0 CDAEHM COc1ccc(C(=O)N2C[C@@H](O)CC(F)(F)C2)c([O-])c1 ZINC000682590973 482824961 /nfs/dbraw/zinc/82/49/61/482824961.db2.gz XUEWBWLEWAFPPQ-QMMMGPOBSA-N -1 3 287.262 1.243 10 0 CDAEHM O=C1CC[C@@H](CNCc2cccc([O-])c2Cl)N1 ZINC000383352185 482997785 /nfs/dbraw/zinc/99/77/85/482997785.db2.gz UVDFFFSQQQAUBP-VIFPVBQESA-N -1 3 254.717 1.414 10 0 CDAEHM O=C(c1c([O-])cccc1O)N1CCC(OCCCO)CC1 ZINC000678345055 483034944 /nfs/dbraw/zinc/03/49/44/483034944.db2.gz ZDCAQNKTSWKKBH-UHFFFAOYSA-N -1 3 295.335 1.101 10 0 CDAEHM CO[C@@H](C)c1nc(=NC2(CN(C)C)CCC2)s[n-]1 ZINC000393576295 483136500 /nfs/dbraw/zinc/13/65/00/483136500.db2.gz UYQRRSAZUJRZHO-VIFPVBQESA-N -1 3 270.402 1.564 10 0 CDAEHM C[C@@H]1CC[C@@H]1NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000685854931 483239190 /nfs/dbraw/zinc/23/91/90/483239190.db2.gz KHVITJDXQZZKNX-KOLCDFICSA-N -1 3 256.309 2.000 10 0 CDAEHM CCN(C(=O)c1csc(=O)[n-]1)[C@@H]1CCCOC1 ZINC000652815883 483256493 /nfs/dbraw/zinc/25/64/93/483256493.db2.gz PBKVAFGGSQUZRI-MRVPVSSYSA-N -1 3 256.327 1.490 10 0 CDAEHM Cn1ccnc1-c1noc([N-]Cc2n[nH]c3ccccc32)n1 ZINC000679118514 483279021 /nfs/dbraw/zinc/27/90/21/483279021.db2.gz NNAMFOJYUBBGDB-UHFFFAOYSA-N -1 3 295.306 1.959 10 0 CDAEHM CCc1cccc(C(=O)N2C[C@H](O)CC(F)(F)C2)c1[O-] ZINC000682585334 483295404 /nfs/dbraw/zinc/29/54/04/483295404.db2.gz FJVIGNBMBVZESU-SNVBAGLBSA-N -1 3 285.290 1.797 10 0 CDAEHM CO[C@@H](C(=O)Nc1nnc(SC)[n-]1)C1CCC1 ZINC000667618937 483354470 /nfs/dbraw/zinc/35/44/70/483354470.db2.gz NUSWVYQWEAOSLT-SSDOTTSWSA-N -1 3 256.331 1.280 10 0 CDAEHM CO[C@@H](C(=O)Nc1nc(SC)n[n-]1)C1CCC1 ZINC000667618937 483354473 /nfs/dbraw/zinc/35/44/73/483354473.db2.gz NUSWVYQWEAOSLT-SSDOTTSWSA-N -1 3 256.331 1.280 10 0 CDAEHM CO[C@@H](C(=O)Nc1n[n-]c(SC)n1)C1CCC1 ZINC000667618937 483354474 /nfs/dbraw/zinc/35/44/74/483354474.db2.gz NUSWVYQWEAOSLT-SSDOTTSWSA-N -1 3 256.331 1.280 10 0 CDAEHM CON1CCC(CC(=O)Nc2nnc(SC)[n-]2)CC1 ZINC000667619543 483355465 /nfs/dbraw/zinc/35/54/65/483355465.db2.gz FBWOGBWITLVDTM-UHFFFAOYSA-N -1 3 285.373 1.129 10 0 CDAEHM CON1CCC(CC(=O)Nc2nc(SC)n[n-]2)CC1 ZINC000667619543 483355469 /nfs/dbraw/zinc/35/54/69/483355469.db2.gz FBWOGBWITLVDTM-UHFFFAOYSA-N -1 3 285.373 1.129 10 0 CDAEHM CON1CCC(CC(=O)Nc2n[n-]c(SC)n2)CC1 ZINC000667619543 483355471 /nfs/dbraw/zinc/35/54/71/483355471.db2.gz FBWOGBWITLVDTM-UHFFFAOYSA-N -1 3 285.373 1.129 10 0 CDAEHM CCCn1c(=O)[n-]nc1SCc1cc(C)n(C)n1 ZINC000676025872 483395281 /nfs/dbraw/zinc/39/52/81/483395281.db2.gz BTBICAZAGYUNLV-UHFFFAOYSA-N -1 3 267.358 1.728 10 0 CDAEHM O=C(Nc1ccccc1)N1CCc2c(nc[n-]c2=O)C1 ZINC000680025126 483518874 /nfs/dbraw/zinc/51/88/74/483518874.db2.gz FJEGZHSPWGGTQZ-UHFFFAOYSA-N -1 3 270.292 1.772 10 0 CDAEHM C[C@@]1(O)C[C@H](NC(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000668035965 483542785 /nfs/dbraw/zinc/54/27/85/483542785.db2.gz NAAARFHJFYDHGB-AITUWYQGSA-N -1 3 275.348 1.914 10 0 CDAEHM Cn1[n-]c(CN[C@@H](CC2CC2)c2ccccc2)nc1=O ZINC000680379370 483603460 /nfs/dbraw/zinc/60/34/60/483603460.db2.gz JGJAVEUASYFOHP-ZDUSSCGKSA-N -1 3 272.352 1.739 10 0 CDAEHM O=C([O-])c1cccc(CNC[C@@H]2CCCCO2)n1 ZINC000236485521 1178305557 /nfs/dbraw/zinc/30/55/57/1178305557.db2.gz WBNIUAQFOARGPK-NSHDSACASA-N -1 3 250.298 1.439 10 0 CDAEHM CC(C)CCOC[C@](N)(C(=O)[O-])c1ccccc1 ZINC000045478672 519669399 /nfs/dbraw/zinc/66/93/99/519669399.db2.gz BKHWXKWFHDGYLC-CQSZACIVSA-N -1 3 251.326 1.988 10 0 CDAEHM CC(C)C[C@@H](CN(C)C)NC(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000054525289 519775435 /nfs/dbraw/zinc/77/54/35/519775435.db2.gz KHSVFNZNBHHYLJ-NWDGAFQWSA-N -1 3 285.388 1.125 10 0 CDAEHM CC(C)[C@@H](CN(C)C)NC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000049230818 519793445 /nfs/dbraw/zinc/79/34/45/519793445.db2.gz ADZOOMREJNTTFV-VXGBXAGGSA-N -1 3 285.388 1.221 10 0 CDAEHM CC(C)n1c(=O)[n-]nc1S[C@@H]1CCCC[C@H]1O ZINC000061596082 519919385 /nfs/dbraw/zinc/91/93/85/519919385.db2.gz DSKCKMYNEZXNNP-RKDXNWHRSA-N -1 3 257.359 1.548 10 0 CDAEHM CCN(CC(=O)NCc1ccccc1)[C@H](C)CC(=O)[O-] ZINC000061182492 520338723 /nfs/dbraw/zinc/33/87/23/520338723.db2.gz RVSNKFWQXDVGHU-GFCCVEGCSA-N -1 3 278.352 1.488 10 0 CDAEHM CCOc1ccc(CN[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000340675214 521008701 /nfs/dbraw/zinc/00/87/01/521008701.db2.gz AJUKLHICFDPPGY-AWEZNQCLSA-N -1 3 265.309 1.419 10 0 CDAEHM CCOC(=O)c1nc(CC[C@H]2CCCCO2)n[n-]1 ZINC000069405254 521595851 /nfs/dbraw/zinc/59/58/51/521595851.db2.gz FSABFMWAWKOXKA-SECBINFHSA-N -1 3 253.302 1.483 10 0 CDAEHM CCOC(=O)c1nnc(CC[C@H]2CCCCO2)[n-]1 ZINC000069405254 521595854 /nfs/dbraw/zinc/59/58/54/521595854.db2.gz FSABFMWAWKOXKA-SECBINFHSA-N -1 3 253.302 1.483 10 0 CDAEHM CCOC(=O)c1n[n-]c(CC[C@H]2CCCCO2)n1 ZINC000069405254 521595861 /nfs/dbraw/zinc/59/58/61/521595861.db2.gz FSABFMWAWKOXKA-SECBINFHSA-N -1 3 253.302 1.483 10 0 CDAEHM CCN1CCC[C@@H](NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1 ZINC000049227986 521621910 /nfs/dbraw/zinc/62/19/10/521621910.db2.gz KDCMKVKCBGJIMF-GHMZBOCLSA-N -1 3 285.388 1.269 10 0 CDAEHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@H]1CCC[C@@H]1OC ZINC000338534772 521757997 /nfs/dbraw/zinc/75/79/97/521757997.db2.gz LXYNUFLEDQHXLB-IUCAKERBSA-N -1 3 298.364 1.937 10 0 CDAEHM CN(C)C[C@H]1CCCN1c1ncc(C(=O)[O-])cc1Cl ZINC000061652243 521876121 /nfs/dbraw/zinc/87/61/21/521876121.db2.gz BQQWAMIPNMPLFX-SNVBAGLBSA-N -1 3 283.759 1.964 10 0 CDAEHM CNC(C)(C)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000061318050 521942990 /nfs/dbraw/zinc/94/29/90/521942990.db2.gz QVICKOLQRMYXJI-UHFFFAOYSA-N -1 3 254.261 1.460 10 0 CDAEHM CC[C@@H](C)N1CCN(c2cc(N)ccc2C(=O)[O-])CC1 ZINC000069514966 522134156 /nfs/dbraw/zinc/13/41/56/522134156.db2.gz CAPQTGSYPUAFPN-LLVKDONJSA-N -1 3 277.368 1.888 10 0 CDAEHM COC[C@H](C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000103431724 522556947 /nfs/dbraw/zinc/55/69/47/522556947.db2.gz NUHMGCUNQDVPQF-BYPYZUCNSA-N -1 3 252.196 1.045 10 0 CDAEHM COC[C@H](C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000103431724 522556954 /nfs/dbraw/zinc/55/69/54/522556954.db2.gz NUHMGCUNQDVPQF-BYPYZUCNSA-N -1 3 252.196 1.045 10 0 CDAEHM CN(C[C@H]1CCCO1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163751910 523122302 /nfs/dbraw/zinc/12/23/02/523122302.db2.gz GDERCEJCKXRZBP-LLVKDONJSA-N -1 3 282.315 1.852 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]c2c(F)cccc2F)c1 ZINC000336603255 523568135 /nfs/dbraw/zinc/56/81/35/523568135.db2.gz WPFUQYLRRJHAPE-UHFFFAOYSA-N -1 3 287.291 1.982 10 0 CDAEHM COCCN(C)CCNc1cc(C(=O)[O-])cc(Cl)n1 ZINC000061399559 523613114 /nfs/dbraw/zinc/61/31/14/523613114.db2.gz CGGYTZRDUAHVLG-UHFFFAOYSA-N -1 3 287.747 1.423 10 0 CDAEHM COCCNCc1ccccc1O[C@@H](C)C(=O)[O-] ZINC000062729687 523955838 /nfs/dbraw/zinc/95/58/38/523955838.db2.gz FTCQJOUZBSQLRH-JTQLQIEISA-N -1 3 253.298 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/nfs/dbraw/zinc/83/41/17/695834117.db2.gz UNUYVXQVTHPYRG-JTQLQIEISA-N -1 3 266.297 1.264 10 0 CDAEHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2F)CCS1 ZINC000921712166 695881367 /nfs/dbraw/zinc/88/13/67/695881367.db2.gz GYPPXNOLQFDGOW-IUCAKERBSA-N -1 3 290.385 1.783 10 0 CDAEHM Cc1cnc(CCCC(=O)[N-]OC[C@@H]2CCOC2)o1 ZINC000857493529 695912658 /nfs/dbraw/zinc/91/26/58/695912658.db2.gz DBOPUNGIBJSMSQ-LLVKDONJSA-N -1 3 268.313 1.390 10 0 CDAEHM Cc1nn(C)c(C)c1CC(=O)[N-]OCCCC(F)(F)F ZINC000871211794 696062746 /nfs/dbraw/zinc/06/27/46/696062746.db2.gz ABPKIOKWGBKSTJ-UHFFFAOYSA-N -1 3 293.289 1.970 10 0 CDAEHM COC(=O)[C@]12C[C@H]1CCCN2Cc1nc(C)cc(=O)[n-]1 ZINC000933165215 695273035 /nfs/dbraw/zinc/27/30/35/695273035.db2.gz OTLZCFQFVSVLOK-YGRLFVJLSA-N -1 3 277.324 1.018 10 0 CDAEHM COC[C@]1(C)CN(Cc2c(F)ccc([O-])c2F)CCO1 ZINC000862552468 695306794 /nfs/dbraw/zinc/30/67/94/695306794.db2.gz ZNDXPZCTZPXKSK-AWEZNQCLSA-N -1 3 287.306 1.908 10 0 CDAEHM CCO[C@@H]1COCC[C@@H]1CC(=O)[N-]OC1CCC1 ZINC000868659767 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ZINC000866478087 695835759 /nfs/dbraw/zinc/83/57/59/695835759.db2.gz VCBLEULCFUXYSV-HUTHGQBESA-N -1 3 294.398 1.163 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1CCC[C@@H]1O)c1cccnc1Cl ZINC000089169717 695893539 /nfs/dbraw/zinc/89/35/39/695893539.db2.gz JXYDKBWLLRVFFU-IUCAKERBSA-N -1 3 290.772 1.174 10 0 CDAEHM C[C@@]12COC[C@@H]1CN(C(=O)c1cc3c(cc1[O-])OCO3)C2 ZINC000855835381 695923260 /nfs/dbraw/zinc/92/32/60/695923260.db2.gz KCDBQSXMWMUFSX-BJOHPYRUSA-N -1 3 291.303 1.229 10 0 CDAEHM CC(C)[C@@H](CO)O[N-]C(=O)C12CC(C(F)(F)F)(C1)C2 ZINC000836890754 695926788 /nfs/dbraw/zinc/92/67/88/695926788.db2.gz KBBSLQNSRPOFSN-MFAVDMRSSA-N -1 3 281.274 1.784 10 0 CDAEHM O=C(C=Cc1cnccn1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820218076 695987780 /nfs/dbraw/zinc/98/77/80/695987780.db2.gz FMRJXAQIBACUNQ-DAFODLJHSA-N -1 3 281.275 1.710 10 0 CDAEHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000867307054 696105614 /nfs/dbraw/zinc/10/56/14/696105614.db2.gz JYIJPYSMOSLESC-UHFFFAOYSA-N -1 3 296.352 1.122 10 0 CDAEHM CCc1cccc(C(=O)N(C)[C@H]2CCOC[C@@H]2OC)c1[O-] ZINC000921929465 696119646 /nfs/dbraw/zinc/11/96/46/696119646.db2.gz UFHCHUFJYHVINA-KBPBESRZSA-N -1 3 293.363 1.831 10 0 CDAEHM CC(C)(C)OC1CN(C(=O)c2c([O-])cccc2O)C1 ZINC000706877877 696206172 /nfs/dbraw/zinc/20/61/72/696206172.db2.gz QARNQIPDVVVPQX-UHFFFAOYSA-N -1 3 265.309 1.737 10 0 CDAEHM C[C@H]1CCN(CCCO)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805788754 1162613277 /nfs/dbraw/zinc/61/32/77/1162613277.db2.gz RUKRJMORXYQSNI-GUBZILKMSA-N -1 3 282.306 1.146 10 0 CDAEHM COc1nscc1[N-]C(=O)c1ccc(OC)nn1 ZINC001651233581 1158586816 /nfs/dbraw/zinc/58/68/16/1158586816.db2.gz VXXTUXLLVAXUMY-UHFFFAOYSA-N -1 3 266.282 1.203 10 0 CDAEHM CSc1nc(NC(=O)c2cc(F)cc(C)c2N)n[n-]1 ZINC001626105462 1161508839 /nfs/dbraw/zinc/50/88/39/1161508839.db2.gz CQMSUQKSMXRTPJ-UHFFFAOYSA-N -1 3 281.316 1.809 10 0 CDAEHM O=C(c1nnc2ccccc2c1[O-])N1CC[C@H]1C(F)F ZINC000868604583 1164969758 /nfs/dbraw/zinc/96/97/58/1164969758.db2.gz PPAABMSRBFFZPD-VIFPVBQESA-N -1 3 279.246 1.815 10 0 CDAEHM F[C@@H]1COc2ccccc2[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC001612894855 1165523377 /nfs/dbraw/zinc/52/33/77/1165523377.db2.gz ZYMJVLOEIVHDAM-ZYHUDNBSSA-N -1 3 285.282 1.610 10 0 CDAEHM O=C(NCCc1ccc2c[nH]nc2c1)c1cnncc1[O-] ZINC001623905234 1165803099 /nfs/dbraw/zinc/80/30/99/1165803099.db2.gz JABKMOJJFBAARB-UHFFFAOYSA-N -1 3 283.291 1.031 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1c(F)ccnc1F ZINC001628258682 1166056455 /nfs/dbraw/zinc/05/64/55/1166056455.db2.gz CKIYLAWSHGUDER-UHFFFAOYSA-N -1 3 298.274 1.074 10 0 CDAEHM CCCC[C@H](O)CCC(=O)Nc1nnc(OC)[n-]1 ZINC001630683015 1166224371 /nfs/dbraw/zinc/22/43/71/1166224371.db2.gz BWMXAKILLDGYOQ-QMMMGPOBSA-N -1 3 256.306 1.083 10 0 CDAEHM CCCC[C@H](O)CCC(=O)Nc1n[n-]c(OC)n1 ZINC001630683015 1166224379 /nfs/dbraw/zinc/22/43/79/1166224379.db2.gz BWMXAKILLDGYOQ-QMMMGPOBSA-N -1 3 256.306 1.083 10 0 CDAEHM CCCC[C@H](O)CCC(=O)Nc1nc(OC)n[n-]1 ZINC001630683015 1166224386 /nfs/dbraw/zinc/22/43/86/1166224386.db2.gz BWMXAKILLDGYOQ-QMMMGPOBSA-N -1 3 256.306 1.083 10 0 CDAEHM CCCC[C@@H](O)CCC(=O)Nc1nnc(OC)[n-]1 ZINC001630683014 1166224719 /nfs/dbraw/zinc/22/47/19/1166224719.db2.gz BWMXAKILLDGYOQ-MRVPVSSYSA-N -1 3 256.306 1.083 10 0 CDAEHM CCCC[C@@H](O)CCC(=O)Nc1n[n-]c(OC)n1 ZINC001630683014 1166224721 /nfs/dbraw/zinc/22/47/21/1166224721.db2.gz BWMXAKILLDGYOQ-MRVPVSSYSA-N -1 3 256.306 1.083 10 0 CDAEHM CCCC[C@@H](O)CCC(=O)Nc1nc(OC)n[n-]1 ZINC001630683014 1166224725 /nfs/dbraw/zinc/22/47/25/1166224725.db2.gz BWMXAKILLDGYOQ-MRVPVSSYSA-N -1 3 256.306 1.083 10 0 CDAEHM Cc1[n-]nc(Cl)c1C(=O)NOCc1cccnc1 ZINC001632129171 1166331787 /nfs/dbraw/zinc/33/17/87/1166331787.db2.gz QECYTDBKPCPGTM-UHFFFAOYSA-N -1 3 266.688 1.628 10 0 CDAEHM O=C(N[C@H]1C=CCC1)c1nnc2ccccc2c1[O-] ZINC001632310772 1166341725 /nfs/dbraw/zinc/34/17/25/1166341725.db2.gz DXGXGIJGLZQEBJ-VIFPVBQESA-N -1 3 255.277 1.784 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Cl)ncc1F ZINC001632758270 1166375148 /nfs/dbraw/zinc/37/51/48/1166375148.db2.gz HCRGGVFYZCUXBX-ZETCQYMHSA-N -1 3 298.705 1.116 10 0 CDAEHM CC(=O)c1cccc(NC(=O)Cc2nnc(N)s2)c1[O-] ZINC001636953188 1166710907 /nfs/dbraw/zinc/71/09/07/1166710907.db2.gz NPEOEOFXXCSSHQ-UHFFFAOYSA-N -1 3 292.320 1.210 10 0 CDAEHM COC(=Cc1ccccc1)C(=O)[N-]c1nnc2[nH]cnn12 ZINC001636997595 1166713983 /nfs/dbraw/zinc/71/39/83/1166713983.db2.gz FUFBSHXOURWEQU-JXMROGBWSA-N -1 3 284.279 1.078 10 0 CDAEHM Cc1cc(F)c(CN=c2ncnc3[nH][n-]cc2-3)c(F)c1 ZINC001640448928 1167025374 /nfs/dbraw/zinc/02/53/74/1167025374.db2.gz AUMVMRHXZFXYPV-UHFFFAOYSA-N -1 3 275.262 1.925 10 0 CDAEHM COc1cncc([N-]C(=O)c2nnc(-c3ccco3)o2)n1 ZINC001640545815 1167034156 /nfs/dbraw/zinc/03/41/56/1167034156.db2.gz DZULLSQSCIPJJH-UHFFFAOYSA-N -1 3 287.235 1.381 10 0 CDAEHM CC[C@H]1CN(C)CCN1C(=O)c1cccc([O-])c1F ZINC001641352088 1167097651 /nfs/dbraw/zinc/09/76/51/1167097651.db2.gz URVIHKQNSNTPAU-JTQLQIEISA-N -1 3 266.316 1.698 10 0 CDAEHM C[C@H](NC(=O)[C@@H]1C[C@@H]1F)c1nc(C(F)(F)F)n[n-]1 ZINC001645534582 1167413447 /nfs/dbraw/zinc/41/34/47/1167413447.db2.gz ZZXIBWMDQDKNID-LMVFSUKVSA-N -1 3 266.198 1.359 10 0 CDAEHM CC(=Cc1ccco1)C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC001566209643 1168250842 /nfs/dbraw/zinc/25/08/42/1168250842.db2.gz KPGYYSMBJDODBV-SREVYHEPSA-N -1 3 275.264 1.831 10 0 CDAEHM COC(=O)Cc1ccc(CN=c2ncnc3[nH][n-]cc2-3)cc1 ZINC001651285522 1171312963 /nfs/dbraw/zinc/31/29/63/1171312963.db2.gz CJECQDLEAJSQEC-UHFFFAOYSA-N -1 3 297.318 1.054 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)c2ccc(Cl)nn2)[n-]n1 ZINC001654451175 1171613667 /nfs/dbraw/zinc/61/36/67/1171613667.db2.gz VCFYCXXZMURNOO-UHFFFAOYSA-N -1 3 295.686 1.282 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)c2ccc(Cl)nn2)n[n-]1 ZINC001654451175 1171613673 /nfs/dbraw/zinc/61/36/73/1171613673.db2.gz VCFYCXXZMURNOO-UHFFFAOYSA-N -1 3 295.686 1.282 10 0 CDAEHM COC(=O)c1cnc(SCC(=O)c2cc(C)ccn2)[n-]1 ZINC001656474823 1171828583 /nfs/dbraw/zinc/82/85/83/1171828583.db2.gz WZWCLVBQOVLIPE-UHFFFAOYSA-N -1 3 291.332 1.875 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)c2ccc(Cl)nc2C)n1 ZINC001583383152 1172756633 /nfs/dbraw/zinc/75/66/33/1172756633.db2.gz PTUBRKVCLGPPNK-UHFFFAOYSA-N -1 3 292.726 1.777 10 0 CDAEHM CCCCO[C@@H]1C[C@H](NC(=O)c2cnncc2[O-])C1(C)C ZINC001587654513 1172992971 /nfs/dbraw/zinc/99/29/71/1172992971.db2.gz KZWHIPZSENQWTO-QWHCGFSZSA-N -1 3 293.367 1.896 10 0 CDAEHM CN(CCCNCc1n[nH]c(=O)[n-]1)C(=O)C1(C)CCCC1 ZINC001699524769 1176461395 /nfs/dbraw/zinc/46/13/95/1176461395.db2.gz SXAJYDVUTKJEMP-UHFFFAOYSA-N -1 3 295.387 1.029 10 0 CDAEHM CCOCCC(=O)NCCCNC(=O)c1ccccc1[O-] ZINC001703318381 1177509091 /nfs/dbraw/zinc/50/90/91/1177509091.db2.gz YJLIHULAFQJDJA-UHFFFAOYSA-N -1 3 294.351 1.055 10 0 CDAEHM COc1cccc([O-])c1C(=O)NCCc1ccncc1 ZINC000405430814 1186574712 /nfs/dbraw/zinc/57/47/12/1186574712.db2.gz ATMYGUWRJRHMTM-UHFFFAOYSA-N -1 3 272.304 1.768 10 0 CDAEHM CCOc1nnc(NC(=O)C=Cc2ccccc2)[n-]1 ZINC000311262407 1186682184 /nfs/dbraw/zinc/68/21/84/1186682184.db2.gz OLTKHAPVHHYXEO-HJWRWDBZSA-N -1 3 258.281 1.855 10 0 CDAEHM CCOc1nc(NC(=O)C=Cc2ccccc2)n[n-]1 ZINC000311262407 1186682186 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/nfs/dbraw/zinc/53/38/97/392533897.db2.gz VCPKNXKZUXHQNT-HFAKWTLXSA-N -1 3 291.399 1.573 10 0 CDAEHM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000529582694 392502795 /nfs/dbraw/zinc/50/27/95/392502795.db2.gz CUVNKRXRUALFJF-JFGNBEQYSA-N -1 3 298.342 1.736 10 0 CDAEHM O=C(Nc1c([O-])cccc1F)[C@@H]1CCc2cncn2C1 ZINC000649211849 393041184 /nfs/dbraw/zinc/04/11/84/393041184.db2.gz BWCCJDPLPLCQQK-SECBINFHSA-N -1 3 275.283 1.929 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cccc(C(N)=O)n1 ZINC000649230792 393125312 /nfs/dbraw/zinc/12/53/12/393125312.db2.gz XGCXHOMZDKJNCX-UHFFFAOYSA-N -1 3 287.323 1.010 10 0 CDAEHM O=C(N[C@@H]1CCn2ccnc2C1)c1cccc([O-])c1 ZINC000548638643 393340503 /nfs/dbraw/zinc/34/05/03/393340503.db2.gz PFLFMHCIISWKGX-LLVKDONJSA-N -1 3 257.293 1.334 10 0 CDAEHM CCc1ncc(C[N-]S(=O)(=O)c2cccc(F)c2)o1 ZINC000451961785 393412783 /nfs/dbraw/zinc/41/27/83/393412783.db2.gz UEGNKEVMIMSVJJ-UHFFFAOYSA-N -1 3 284.312 1.855 10 0 CDAEHM CCN1CCN(c2ccc(C(=O)[O-])c(F)c2)CC1 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Cc1cc(CN(C)C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)no1 ZINC000104143095 147187950 /nfs/dbraw/zinc/18/79/50/147187950.db2.gz VHTIQFJPGBDOSM-UHFFFAOYSA-N -1 3 299.286 1.139 10 0 CDAEHM COc1nnc(NC(=O)c2ccc3cc(OC)ccc3n2)[n-]1 ZINC000179366070 148110206 /nfs/dbraw/zinc/11/02/06/148110206.db2.gz NBFJYEQGLXIGRH-UHFFFAOYSA-N -1 3 299.290 1.622 10 0 CDAEHM COc1nc(NC(=O)c2ccc3cc(OC)ccc3n2)n[n-]1 ZINC000179366070 148110210 /nfs/dbraw/zinc/11/02/10/148110210.db2.gz NBFJYEQGLXIGRH-UHFFFAOYSA-N -1 3 299.290 1.622 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc3cc(OC)ccc3n2)n1 ZINC000179366070 148110213 /nfs/dbraw/zinc/11/02/13/148110213.db2.gz NBFJYEQGLXIGRH-UHFFFAOYSA-N -1 3 299.290 1.622 10 0 CDAEHM CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cccc([O-])c3)[C@@H]2C1 ZINC000182902988 148272776 /nfs/dbraw/zinc/27/27/76/148272776.db2.gz MKDDTLAIYBXRSY-KFWWJZLASA-N -1 3 291.347 1.801 10 0 CDAEHM Cc1ccc(CC(=O)NCc2ncccc2[O-])cc1 ZINC000352500487 155230087 /nfs/dbraw/zinc/23/00/87/155230087.db2.gz KCPYAMMGSGUOSO-UHFFFAOYSA-N -1 3 256.305 1.955 10 0 CDAEHM CC(C)(C(=O)NCc1ncccc1[O-])c1cccnc1 ZINC000352507598 155236137 /nfs/dbraw/zinc/23/61/37/155236137.db2.gz KPTAKLIJTIIVPJ-UHFFFAOYSA-N -1 3 271.320 1.776 10 0 CDAEHM O=C(CCc1cscn1)NCc1ncccc1[O-] ZINC000352506191 155236179 /nfs/dbraw/zinc/23/61/79/155236179.db2.gz FJQFRQZYBMGORW-UHFFFAOYSA-N -1 3 263.322 1.493 10 0 CDAEHM CC[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000334694546 149825397 /nfs/dbraw/zinc/82/53/97/149825397.db2.gz JJWDUNMKMWIJHL-UHFFFAOYSA-N -1 3 254.233 1.399 10 0 CDAEHM CCc1cccc(CC(=O)N2CCc3c(nc[n-]c3=O)C2)c1 ZINC000335163891 150357412 /nfs/dbraw/zinc/35/74/12/150357412.db2.gz NMXZKDSQVQSENG-UHFFFAOYSA-N -1 3 297.358 1.872 10 0 CDAEHM CC[C@@H]1[C@@H](CO)CCN1C(=O)c1cccc(C)c1[O-] ZINC000335899545 151095527 /nfs/dbraw/zinc/09/55/27/151095527.db2.gz JJBBPTSILVLRLR-DGCLKSJQSA-N -1 3 263.337 1.934 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H]2C)c1 ZINC000336143782 151308270 /nfs/dbraw/zinc/30/82/70/151308270.db2.gz TUKZUWMLQMIMPK-QPUJVOFHSA-N -1 3 262.309 1.879 10 0 CDAEHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCCSCC1 ZINC000336157831 151320816 /nfs/dbraw/zinc/32/08/16/151320816.db2.gz SUHNSKNWDFVPEY-UHFFFAOYSA-N -1 3 294.376 1.088 10 0 CDAEHM Cc1cc(=O)n(C)cc1NC(=O)NCc1ncccc1[O-] ZINC000344033549 152396740 /nfs/dbraw/zinc/39/67/40/152396740.db2.gz OOKJTVVINARYOE-UHFFFAOYSA-N -1 3 288.307 1.116 10 0 CDAEHM CN(C)[C@H]1CCN(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000186777517 289385025 /nfs/dbraw/zinc/38/50/25/289385025.db2.gz SSHKJPUUTXPUML-VIFPVBQESA-N -1 3 270.279 1.447 10 0 CDAEHM CCCn1c(=O)[n-]nc1SC[C@@H](O)CCOC(C)C ZINC000349214045 154069304 /nfs/dbraw/zinc/06/93/04/154069304.db2.gz FHHPCENSAODHSM-JTQLQIEISA-N -1 3 289.401 1.662 10 0 CDAEHM CC(C)(CCCO)CNC(=O)NCc1ncccc1[O-] ZINC000349737338 154202542 /nfs/dbraw/zinc/20/25/42/154202542.db2.gz VBLNNLJESDHASQ-UHFFFAOYSA-N -1 3 281.356 1.385 10 0 CDAEHM Cc1ccc([O-])c(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)n1 ZINC000375495146 160385859 /nfs/dbraw/zinc/38/58/59/160385859.db2.gz MTRLJNCVEXUIBO-COPLHBTASA-N -1 3 275.352 1.181 10 0 CDAEHM Cc1cc(C(=O)NCc2nnc3ccccn32)ccc1[O-] ZINC000353874958 156137859 /nfs/dbraw/zinc/13/78/59/156137859.db2.gz VDOQIXLXMVHQQT-UHFFFAOYSA-N -1 3 282.303 1.673 10 0 CDAEHM CCO[C@H]1COCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000354340518 156398701 /nfs/dbraw/zinc/39/87/01/156398701.db2.gz QRCCYYFIVWIZHJ-STQMWFEESA-N -1 3 265.309 1.316 10 0 CDAEHM CCCN(C)S(=O)(=O)[N-]c1cc(OC)ccc1O ZINC000360603522 158579155 /nfs/dbraw/zinc/57/91/55/158579155.db2.gz FJMKUSZCYNTKFB-UHFFFAOYSA-N -1 3 274.342 1.399 10 0 CDAEHM Cc1ccc([O-])c(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)n1 ZINC000373634515 160217344 /nfs/dbraw/zinc/21/73/44/160217344.db2.gz FIDFEXLTJLXNRL-BBRMVZONSA-N -1 3 292.379 1.866 10 0 CDAEHM O=C(NCC1(O)Cc2ccccc2C1)c1ccc(O)cc1[O-] ZINC000374754107 160312845 /nfs/dbraw/zinc/31/28/45/160312845.db2.gz XFRTXCDRYUNDPC-UHFFFAOYSA-N -1 3 299.326 1.358 10 0 CDAEHM C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(N)=S)N2 ZINC000025185857 287246997 /nfs/dbraw/zinc/24/69/97/287246997.db2.gz UVWFEYOHPLEJSI-HCVRKRLWSA-N -1 3 281.303 1.589 10 0 CDAEHM COc1[n-]c(N)nc2nc(C(=O)OC(C)C)cc1-2 ZINC000020286026 171133367 /nfs/dbraw/zinc/13/33/67/171133367.db2.gz REXZHQVIHQDHDG-UHFFFAOYSA-N -1 3 250.258 1.114 10 0 CDAEHM COc1nc(N)[n-]c2nc(C(=O)OC(C)C)cc1-2 ZINC000020286026 171133368 /nfs/dbraw/zinc/13/33/68/171133368.db2.gz REXZHQVIHQDHDG-UHFFFAOYSA-N -1 3 250.258 1.114 10 0 CDAEHM COc1nc(N)nc2[n-]c(C(=O)OC(C)C)cc21 ZINC000020286026 171133372 /nfs/dbraw/zinc/13/33/72/171133372.db2.gz REXZHQVIHQDHDG-UHFFFAOYSA-N -1 3 250.258 1.114 10 0 CDAEHM CN(C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])C1CCN(C)CC1 ZINC000022218220 171376278 /nfs/dbraw/zinc/37/62/78/171376278.db2.gz WOUSNOQIFRXXED-OLZOCXBDSA-N -1 3 280.368 1.206 10 0 CDAEHM Cc1ccc(C[N-]S(=O)(=O)c2ccc[nH]c2=NN)cc1 ZINC000035358520 172148419 /nfs/dbraw/zinc/14/84/19/172148419.db2.gz YLPFWITYVGLYGN-UHFFFAOYSA-N -1 3 292.364 1.154 10 0 CDAEHM C[C@@H]1Cc2ccccc2N1C(=O)CNCCC(=O)[O-] ZINC000035386112 172168115 /nfs/dbraw/zinc/16/81/15/172168115.db2.gz JRAFXDXHNHEPMB-SNVBAGLBSA-N -1 3 262.309 1.029 10 0 CDAEHM C[C@@H](NCC(=O)Nc1ccc(Cl)cc1F)C(=O)[O-] ZINC000035388432 172170284 /nfs/dbraw/zinc/17/02/84/172170284.db2.gz XOJZDLFYNKTDHA-ZCFIWIBFSA-N -1 3 274.679 1.480 10 0 CDAEHM c1c(C[N-]c2nnc([C@H]3CCCO3)o2)nnn1C1CCC1 ZINC000656773458 413640523 /nfs/dbraw/zinc/64/05/23/413640523.db2.gz ZBWQYZXLIDONPC-LLVKDONJSA-N -1 3 290.327 1.850 10 0 CDAEHM C[C@@H]1CCN(C(=O)[C@@H](CN)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000656854980 413739420 /nfs/dbraw/zinc/73/94/20/413739420.db2.gz DPXGICPVGVSPOS-KWCYVHTRSA-N -1 3 290.363 1.298 10 0 CDAEHM C[C@@H](NC(=O)C1(N)CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656855826 413758265 /nfs/dbraw/zinc/75/82/65/413758265.db2.gz SYIKXYGKFJQPJJ-GRYCIOLGSA-N -1 3 296.411 1.900 10 0 CDAEHM Cc1cc(F)ccc1C[C@H](C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000657057064 413880554 /nfs/dbraw/zinc/88/05/54/413880554.db2.gz IQZWGGCBPOFZMI-JTQLQIEISA-N -1 3 297.355 1.767 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCO[C@@](C)(C3CC3)C2)n1 ZINC000661169084 413853792 /nfs/dbraw/zinc/85/37/92/413853792.db2.gz SWMHUSFDXMTUDL-OAHLLOKOSA-N -1 3 277.368 1.746 10 0 CDAEHM CC(C)(C)N1CC[C@H]1C[N-]S(=O)(=O)c1ccco1 ZINC000657034780 413860370 /nfs/dbraw/zinc/86/03/70/413860370.db2.gz OEPYXOBYNLGSRJ-JTQLQIEISA-N -1 3 272.370 1.431 10 0 CDAEHM CC[C@](C)([N-]S(=O)(=O)c1cn(C)cn1)C1CC1 ZINC000657179825 414010326 /nfs/dbraw/zinc/01/03/26/414010326.db2.gz UCSXLHWNIHEDBJ-NSHDSACASA-N -1 3 257.359 1.277 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@@](C)(CC)C2CC2)c1 ZINC000657180286 414011703 /nfs/dbraw/zinc/01/17/03/414011703.db2.gz YQEVRSFIBGZIQJ-LBPRGKRZSA-N -1 3 271.386 1.760 10 0 CDAEHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2C[C@@H](O)C23CCC3)c1 ZINC000657184254 414016802 /nfs/dbraw/zinc/01/68/02/414016802.db2.gz HTWPWRFUNKQFLD-QWHCGFSZSA-N -1 3 299.367 1.716 10 0 CDAEHM CC(C)(C)N1CC[C@@H](NC(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC000663125000 413970021 /nfs/dbraw/zinc/97/00/21/413970021.db2.gz 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414367627 /nfs/dbraw/zinc/36/76/27/414367627.db2.gz IZKJJEPBPKFUOA-VIFPVBQESA-N -1 3 294.298 1.790 10 0 CDAEHM C[C@H](c1ccccc1)[C@H](C)N[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662212993 414565763 /nfs/dbraw/zinc/56/57/63/414565763.db2.gz ZHKWBBPJIDYPFM-SGMGOOAPSA-N -1 3 290.363 1.454 10 0 CDAEHM COC(=O)C[C@@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000038025923 174011285 /nfs/dbraw/zinc/01/12/85/174011285.db2.gz RLMYYEBFODQZRU-LBPRGKRZSA-N -1 3 277.320 1.950 10 0 CDAEHM CC[C@H](N)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000040469545 174277901 /nfs/dbraw/zinc/27/79/01/174277901.db2.gz PANSWVJXAVDZEA-QMMMGPOBSA-N -1 3 256.689 1.714 10 0 CDAEHM C[C@@](N)(C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])C1CC1 ZINC000040469735 174278130 /nfs/dbraw/zinc/27/81/30/174278130.db2.gz LKJPIJGOYAQIAF-CJNGLKHVSA-N -1 3 288.347 1.152 10 0 CDAEHM CCC[C@](C)(NC(=O)C[C@H](N)c1ccccc1)C(=O)[O-] ZINC000040482848 174286565 /nfs/dbraw/zinc/28/65/65/174286565.db2.gz MTMFKWMZMUMHQO-WFASDCNBSA-N -1 3 278.352 1.836 10 0 CDAEHM CCN1CCC[C@H]1CNC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000040552816 174329446 /nfs/dbraw/zinc/32/94/46/174329446.db2.gz UAMVTGPJMIVBFG-NWDGAFQWSA-N -1 3 283.372 1.119 10 0 CDAEHM CN1CCC[C@H](NC(=O)CC2(C(=O)[O-])CCCC2)C1 ZINC000040673237 174372200 /nfs/dbraw/zinc/37/22/00/174372200.db2.gz JTMGGIHVHGSQOQ-NSHDSACASA-N -1 3 268.357 1.232 10 0 CDAEHM CN1CCC[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2O)C1 ZINC000040716450 174383505 /nfs/dbraw/zinc/38/35/05/174383505.db2.gz ANIYPLWKRBBBHK-JTQLQIEISA-N -1 3 293.323 1.306 10 0 CDAEHM CC(C)N(CC(=O)[O-])C(=O)N[C@@H](C)CN1CCCCC1 ZINC000042322251 174684785 /nfs/dbraw/zinc/68/47/85/174684785.db2.gz MNJYUEPPMFPCKY-LBPRGKRZSA-N -1 3 285.388 1.365 10 0 CDAEHM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCCCN1 ZINC000043594649 175075287 /nfs/dbraw/zinc/07/52/87/175075287.db2.gz MQQPXIUIYDUPGF-KBPBESRZSA-N -1 3 288.347 1.339 10 0 CDAEHM COc1ccc(O[C@@H](C)C(=O)[O-])c(CNC2CC2)c1 ZINC000043623982 175081005 /nfs/dbraw/zinc/08/10/05/175081005.db2.gz URQNEDHKRDDQRL-VIFPVBQESA-N -1 3 265.309 1.799 10 0 CDAEHM CCC(CC)(CC(=O)N[C@H]1CCN(C2CC2)C1)C(=O)[O-] ZINC000044692953 175234144 /nfs/dbraw/zinc/23/41/44/175234144.db2.gz CZUBIFARRZCMET-NSHDSACASA-N -1 3 282.384 1.620 10 0 CDAEHM COCCN(C)C[C@@](NC1CC1)(C(=O)[O-])c1ccccc1 ZINC000045280186 175349953 /nfs/dbraw/zinc/34/99/53/175349953.db2.gz KNYOBIWJIZMOAG-INIZCTEOSA-N -1 3 292.379 1.297 10 0 CDAEHM COCCN(C)C[C@](NC1CC1)(C(=O)[O-])c1ccccc1 ZINC000045280184 175350015 /nfs/dbraw/zinc/35/00/15/175350015.db2.gz KNYOBIWJIZMOAG-MRXNPFEDSA-N -1 3 292.379 1.297 10 0 CDAEHM Cc1cccc(NC(=O)NC[C@@H](C)N(C)C)c1C(=O)[O-] ZINC000071172099 176052218 /nfs/dbraw/zinc/05/22/18/176052218.db2.gz JAPCSTUESZZVGS-SNVBAGLBSA-N -1 3 279.340 1.765 10 0 CDAEHM O=C(CCC1CCCCC1)[N-]OCC(=O)NC1CC1 ZINC000071185350 176059893 /nfs/dbraw/zinc/05/98/93/176059893.db2.gz GCSUMCCYJOQFOR-UHFFFAOYSA-N -1 3 268.357 1.673 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1cnccc1Cl)[C@@H]1CCCO1 ZINC000071203584 176078746 /nfs/dbraw/zinc/07/87/46/176078746.db2.gz 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/nfs/dbraw/zinc/39/49/69/260394969.db2.gz RBFWYANRCNEZEA-UHFFFAOYSA-N -1 3 253.298 1.228 10 0 CDAEHM O=C(N[C@H]1CCC[C@H](CO)C1)c1cccc2nn[n-]c21 ZINC000520996685 263128065 /nfs/dbraw/zinc/12/80/65/263128065.db2.gz NNFHMHBYGXNKKF-UWVGGRQHSA-N -1 3 274.324 1.239 10 0 CDAEHM O=C(N[C@H]1CCC[C@H](CO)C1)c1cccc2[n-]nnc21 ZINC000520996685 263128066 /nfs/dbraw/zinc/12/80/66/263128066.db2.gz NNFHMHBYGXNKKF-UWVGGRQHSA-N -1 3 274.324 1.239 10 0 CDAEHM O=C(N[C@H]1CCC[C@H](CO)C1)c1cccc2n[n-]nc21 ZINC000520996685 263128067 /nfs/dbraw/zinc/12/80/67/263128067.db2.gz NNFHMHBYGXNKKF-UWVGGRQHSA-N -1 3 274.324 1.239 10 0 CDAEHM CCCn1c(=O)[n-]nc1SCC(=O)c1ccnn1C ZINC000655461878 424272383 /nfs/dbraw/zinc/27/23/83/424272383.db2.gz HBQXRIAMOLYUMM-UHFFFAOYSA-N -1 3 281.341 1.102 10 0 CDAEHM CCC(CC)(C(=O)[O-])C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000653297604 424497850 /nfs/dbraw/zinc/49/78/50/424497850.db2.gz XAXIKVKYXOFBFL-NEPJUHHUSA-N -1 3 284.400 1.819 10 0 CDAEHM C[C@@H]1CN([C@@H]2CCc3ccccc32)C[C@H](C(=O)[O-])O1 ZINC000652509587 424508070 /nfs/dbraw/zinc/50/80/70/424508070.db2.gz FLUQQFMRDOXXLC-LERXQTSPSA-N -1 3 261.321 1.848 10 0 CDAEHM C[C@@H]1CN(CCOCC(=O)[O-])CCc2ccccc21 ZINC000652511263 424510608 /nfs/dbraw/zinc/51/06/08/424510608.db2.gz SGBUNVURMYYHKA-GFCCVEGCSA-N -1 3 263.337 1.749 10 0 CDAEHM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@]1(C)CCCCN1 ZINC000397007770 270345064 /nfs/dbraw/zinc/34/50/64/270345064.db2.gz IBDXBYDHIBEZGX-SUNKGSAMSA-N -1 3 268.357 1.230 10 0 CDAEHM COC(=O)c1[n-]c(=NC[C@]2(C)CCOC2)sc1C ZINC000397272643 270347858 /nfs/dbraw/zinc/34/78/58/270347858.db2.gz ONWHBHSRAGQGQZ-LBPRGKRZSA-N -1 3 270.354 1.499 10 0 CDAEHM CCOC(=O)c1csc(=NC[C@H](C)C[C@@H](C)O)[n-]1 ZINC000397830364 270351774 /nfs/dbraw/zinc/35/17/74/270351774.db2.gz KKMFCLOASMCCQP-RKDXNWHRSA-N -1 3 272.370 1.561 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000528544868 270835577 /nfs/dbraw/zinc/83/55/77/270835577.db2.gz BATROIVKPPVFCC-PKIKSRDPSA-N -1 3 259.327 1.370 10 0 CDAEHM O=C(NCC[C@@H]1CCCOC1)c1ccc2n[n-]nc2c1 ZINC000529599107 271000388 /nfs/dbraw/zinc/00/03/88/271000388.db2.gz VDCHDKLZKQGRNE-JTQLQIEISA-N -1 3 274.324 1.504 10 0 CDAEHM CO[C@@]1(C(=O)[O-])CCN(Cc2cccc(F)c2)C1 ZINC000530170430 271126736 /nfs/dbraw/zinc/12/67/36/271126736.db2.gz ZWJARUZQHSTYTF-ZDUSSCGKSA-N -1 3 253.273 1.501 10 0 CDAEHM CS(=O)(=O)c1ccc(CNCc2ncccc2[O-])cc1 ZINC000530278902 271193650 /nfs/dbraw/zinc/19/36/50/271193650.db2.gz AOWDYJFVKQXXHX-UHFFFAOYSA-N -1 3 292.360 1.481 10 0 CDAEHM C=Cc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000194997669 275753122 /nfs/dbraw/zinc/75/31/22/275753122.db2.gz PMTVHYVXKAHRBZ-MRXNPFEDSA-N -1 3 299.330 1.144 10 0 CDAEHM CC1(C)CCC(NC(=O)C(=O)[N-]c2cnns2)CC1 ZINC000192030416 276102280 /nfs/dbraw/zinc/10/22/80/276102280.db2.gz PBTROYIQEXDKBR-UHFFFAOYSA-N -1 3 282.369 1.562 10 0 CDAEHM CC(C)(C)N=c1[n-]nc([C@@H]2CCOC2)n1C[C@H]1CCCO1 ZINC000329826072 277164380 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/nfs/dbraw/zinc/08/62/01/278086201.db2.gz YIFCCLPJRLQMGD-UHFFFAOYSA-N -1 3 270.651 1.858 10 0 CDAEHM COc1nnc(NC(=O)c2cnc3ccccc3n2)[n-]1 ZINC000158857782 278086422 /nfs/dbraw/zinc/08/64/22/278086422.db2.gz PYBNLZGSHLCRDN-UHFFFAOYSA-N -1 3 270.252 1.009 10 0 CDAEHM COc1nc(NC(=O)c2cnc3ccccc3n2)n[n-]1 ZINC000158857782 278086423 /nfs/dbraw/zinc/08/64/23/278086423.db2.gz PYBNLZGSHLCRDN-UHFFFAOYSA-N -1 3 270.252 1.009 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cnc3ccccc3n2)n1 ZINC000158857782 278086424 /nfs/dbraw/zinc/08/64/24/278086424.db2.gz PYBNLZGSHLCRDN-UHFFFAOYSA-N -1 3 270.252 1.009 10 0 CDAEHM C[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)c2c([O-])cccc21 ZINC000294892759 278361501 /nfs/dbraw/zinc/36/15/01/278361501.db2.gz BESUEPINZYFUTN-WCBMZHEXSA-N -1 3 276.292 1.341 10 0 CDAEHM C[C@@H]1CCN(C(=O)[C@H]2CNC(=O)C2)c2c([O-])cccc21 ZINC000186258205 278538679 /nfs/dbraw/zinc/53/86/79/278538679.db2.gz SQRABVVVIGPRJA-NXEZZACHSA-N -1 3 274.320 1.369 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)CCc2cccnc2)n[n-]1 ZINC000119678177 279369010 /nfs/dbraw/zinc/36/90/10/279369010.db2.gz WWIJJQIHLHSATP-UHFFFAOYSA-N -1 3 296.334 1.777 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)CCc2cccnc2)[n-]n1 ZINC000119678177 279369012 /nfs/dbraw/zinc/36/90/12/279369012.db2.gz WWIJJQIHLHSATP-UHFFFAOYSA-N -1 3 296.334 1.777 10 0 CDAEHM CC(=O)N[C@@H]1CCCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000247778855 280346158 /nfs/dbraw/zinc/34/61/58/280346158.db2.gz XFTGGIJSSXOXBA-CMPLNLGQSA-N -1 3 278.356 1.152 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1CC[C@H]2C[C@H]2C1)c1ccccn1 ZINC000528445745 281231859 /nfs/dbraw/zinc/23/18/59/281231859.db2.gz BFVXDNMOJHIWAE-GRYCIOLGSA-N -1 3 266.366 1.796 10 0 CDAEHM Cc1ccn(-c2ccccc2CNC(=O)c2c[n-]nn2)n1 ZINC000152072821 289114948 /nfs/dbraw/zinc/11/49/48/289114948.db2.gz MQSDMEVTSDCJHM-UHFFFAOYSA-N -1 3 282.307 1.229 10 0 CDAEHM Cc1ccn(-c2ccccc2CNC(=O)c2cnn[n-]2)n1 ZINC000152072821 289114951 /nfs/dbraw/zinc/11/49/51/289114951.db2.gz MQSDMEVTSDCJHM-UHFFFAOYSA-N -1 3 282.307 1.229 10 0 CDAEHM Cc1ccn(-c2ccccc2CNC(=O)c2cn[n-]n2)n1 ZINC000152072821 289114957 /nfs/dbraw/zinc/11/49/57/289114957.db2.gz MQSDMEVTSDCJHM-UHFFFAOYSA-N -1 3 282.307 1.229 10 0 CDAEHM COc1cc(=NC(=O)C[C@H]2CCC[C@@H]2C)[n-]n1C ZINC000547495154 289781052 /nfs/dbraw/zinc/78/10/52/289781052.db2.gz RXLLMCFFORXAPR-VHSXEESVSA-N -1 3 251.330 1.615 10 0 CDAEHM COc1cc(=NC(=O)[C@H](C)OCc2ccccc2)[n-]n1C ZINC000547816828 289811950 /nfs/dbraw/zinc/81/19/50/289811950.db2.gz AZGODNXXFUUYMD-NSHDSACASA-N -1 3 289.335 1.394 10 0 CDAEHM COc1cc(=NC(=O)C(C)(C)c2cccs2)[n-]n1C ZINC000548143796 289850026 /nfs/dbraw/zinc/85/00/26/289850026.db2.gz DGFYTTHBGNWIBE-UHFFFAOYSA-N -1 3 279.365 1.828 10 0 CDAEHM COc1cc(=NC(=O)CCc2ccc3[nH]ccc3c2)[n-]n1C ZINC000548144876 289850236 /nfs/dbraw/zinc/85/02/36/289850236.db2.gz AUDQTRYUJKBTPA-UHFFFAOYSA-N -1 3 298.346 1.903 10 0 CDAEHM COc1cc(=NC(=O)N2CCC[C@@H]2C2CCC2)[n-]n1C ZINC000548167146 289853052 /nfs/dbraw/zinc/85/30/52/289853052.db2.gz ZTLHBAGOHDVIEX-LLVKDONJSA-N -1 3 278.356 1.647 10 0 CDAEHM COc1cc(=NC(=O)N2CCCC[C@H](C)C2)[n-]n1C ZINC000548167034 289853425 /nfs/dbraw/zinc/85/34/25/289853425.db2.gz GGAJXQZRLCLCHN-JTQLQIEISA-N -1 3 266.345 1.505 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2cc(Cl)c[nH]2)nc1=N ZINC000549727867 289974687 /nfs/dbraw/zinc/97/46/87/289974687.db2.gz ZSHFEGCCCKUSHS-SECBINFHSA-N -1 3 294.746 1.186 10 0 CDAEHM COc1cc(=NC(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)[n-]n1C ZINC000555418020 290218292 /nfs/dbraw/zinc/21/82/92/290218292.db2.gz ASBCZGCQHJPFGA-GARJFASQSA-N -1 3 280.372 1.797 10 0 CDAEHM COc1cc(=NC(=O)[C@H]2CCCCCC(=O)C2)[n-]n1C ZINC000558961603 290431291 /nfs/dbraw/zinc/43/12/91/290431291.db2.gz KKYYSERKQUDOTL-JTQLQIEISA-N -1 3 279.340 1.329 10 0 CDAEHM O=C(N=c1cc2ccccn2[n-]1)N1CCO[C@H](C2CC2)C1 ZINC000562295133 293129624 /nfs/dbraw/zinc/12/96/24/293129624.db2.gz KHPZKKOLLZSPMK-ZDUSSCGKSA-N -1 3 286.335 1.399 10 0 CDAEHM COCC[C@@H](C)C[N-]S(=O)(=O)c1cscn1 ZINC000563055555 293258791 /nfs/dbraw/zinc/25/87/91/293258791.db2.gz RKAUNSNMJBYJLA-MRVPVSSYSA-N -1 3 264.372 1.094 10 0 CDAEHM O=C([O-])COCCN1CCC(Oc2ccc(F)cc2)CC1 ZINC000563280447 293332796 /nfs/dbraw/zinc/33/27/96/293332796.db2.gz TXSRXEIOGJNMKD-UHFFFAOYSA-N -1 3 297.326 1.770 10 0 CDAEHM CCC[C@@H](C)[C@H](CO)NC(=O)c1cccc(OC)c1[O-] ZINC000568081218 293948144 /nfs/dbraw/zinc/94/81/44/293948144.db2.gz VVEGXRYBNICACN-PWSUYJOCSA-N -1 3 281.352 1.928 10 0 CDAEHM CC[C@H]1CCC[C@H]1CNC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000568596667 294063183 /nfs/dbraw/zinc/06/31/83/294063183.db2.gz RTBGQAUEECAHRX-QWRGUYRKSA-N -1 3 280.372 1.798 10 0 CDAEHM Nc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1cscn1 ZINC000568769356 294099647 /nfs/dbraw/zinc/09/96/47/294099647.db2.gz GINCIRNJXISDAW-NSHDSACASA-N -1 3 295.389 1.691 10 0 CDAEHM CC(C)n1cc(NC(=O)NCc2ncccc2[O-])cn1 ZINC000570744605 294300247 /nfs/dbraw/zinc/30/02/47/294300247.db2.gz GSWUIRLGXGBMHP-UHFFFAOYSA-N -1 3 275.312 1.886 10 0 CDAEHM CCc1cccc(C(=O)N2CCN(CCO)C[C@H]2C)c1[O-] ZINC000571260466 294397117 /nfs/dbraw/zinc/39/71/17/294397117.db2.gz MNNIWDNPOFCXRN-GFCCVEGCSA-N -1 3 292.379 1.093 10 0 CDAEHM Cc1ncc(C[N-]S(=O)(=O)c2cnccc2C)o1 ZINC000572824229 294696710 /nfs/dbraw/zinc/69/67/10/294696710.db2.gz RVYOFDROHBQABU-UHFFFAOYSA-N -1 3 267.310 1.165 10 0 CDAEHM CC1CC(C(=O)N=c2[nH][n-]cc2Br)C1 ZINC000573083123 294748358 /nfs/dbraw/zinc/74/83/58/294748358.db2.gz QPRUYKFPWLTTTD-UHFFFAOYSA-N -1 3 258.119 1.579 10 0 CDAEHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cscn2)[C@@H](C)O1 ZINC000575799430 317016238 /nfs/dbraw/zinc/01/62/38/317016238.db2.gz HDDLYDDWGRYKFR-HLTSFMKQSA-N -1 3 276.383 1.235 10 0 CDAEHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cscn1 ZINC000575865174 317028404 /nfs/dbraw/zinc/02/84/04/317028404.db2.gz PZGAHLQESCZRFM-RKDXNWHRSA-N -1 3 278.399 1.219 10 0 CDAEHM CO[C@@H]1COC[C@H]1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000576109862 317076982 /nfs/dbraw/zinc/07/69/82/317076982.db2.gz BZRBGYNVRGNTJT-ZIAGYGMSSA-N -1 3 291.347 1.415 10 0 CDAEHM O=C(NCC1(CCO)CCC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000579372169 324173419 /nfs/dbraw/zinc/17/34/19/324173419.db2.gz KMLKESHJTXJPGS-UHFFFAOYSA-N -1 3 291.351 1.342 10 0 CDAEHM O=c1cc(CN2CCOCC3(CC3)C2)nc(C2CC2)[n-]1 ZINC000579444887 324186026 /nfs/dbraw/zinc/18/60/26/324186026.db2.gz AYOBGVPWBBNXDU-UHFFFAOYSA-N -1 3 275.352 1.672 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2C(=O)[C@@H]2CCCSC2)nc1=N ZINC000580956531 324610228 /nfs/dbraw/zinc/61/02/28/324610228.db2.gz ZPGZGJJEKZIOEU-NXEZZACHSA-N -1 3 295.412 1.034 10 0 CDAEHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1[C@@H]2COC[C@@H]21 ZINC000666329143 482659666 /nfs/dbraw/zinc/65/96/66/482659666.db2.gz FNPAGZSMHHULHF-VROVMSAKSA-N -1 3 298.136 1.986 10 0 CDAEHM CCS(=O)(=O)[N-]c1ccc(OC)nc1C(F)(F)F ZINC000670329580 482767418 /nfs/dbraw/zinc/76/74/18/482767418.db2.gz WZMWFOWQVRPAGR-UHFFFAOYSA-N -1 3 284.259 1.871 10 0 CDAEHM [O-]c1cccnc1CNCc1cnc2ccccn12 ZINC000684415952 482800315 /nfs/dbraw/zinc/80/03/15/482800315.db2.gz QQJLVYYDKUHPIA-UHFFFAOYSA-N -1 3 254.293 1.725 10 0 CDAEHM Cc1ccc(C(=O)N2C[C@@H](O)CC(F)(F)C2)c([O-])c1 ZINC000682587111 482818306 /nfs/dbraw/zinc/81/83/06/482818306.db2.gz MTHNAPLCOTXURN-VIFPVBQESA-N -1 3 271.263 1.543 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CCCc3n[nH]cc3C2)c1 ZINC000404735144 482837656 /nfs/dbraw/zinc/83/76/56/482837656.db2.gz SYGJJFSCSBDLAI-UHFFFAOYSA-N -1 3 287.319 1.713 10 0 CDAEHM N[C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000380230638 482845593 /nfs/dbraw/zinc/84/55/93/482845593.db2.gz LKZKBNSUPQNWPG-YNEHKIRRSA-N -1 3 282.384 1.654 10 0 CDAEHM N[C@@H](CC1CCCCC1)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000380315641 482850893 /nfs/dbraw/zinc/85/08/93/482850893.db2.gz XNQQWFHVDWDGCT-ZDUSSCGKSA-N -1 3 282.384 1.607 10 0 CDAEHM C[C@H](CN1CCOCC1)C(=O)Nc1c([O-])cccc1F ZINC000678061773 482917198 /nfs/dbraw/zinc/91/71/98/482917198.db2.gz PRINELBGAQEHIH-SNVBAGLBSA-N -1 3 282.315 1.438 10 0 CDAEHM C[C@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1CCCO1 ZINC000667013537 483051980 /nfs/dbraw/zinc/05/19/80/483051980.db2.gz BEVZLXAHVKLSER-RQJHMYQMSA-N -1 3 292.261 1.967 10 0 CDAEHM C[C@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1CCCO1 ZINC000667013537 483051984 /nfs/dbraw/zinc/05/19/84/483051984.db2.gz BEVZLXAHVKLSER-RQJHMYQMSA-N -1 3 292.261 1.967 10 0 CDAEHM CO[C@@H](C(=O)Nc1nnc(-c2ccccn2)[n-]1)C1CCC1 ZINC000667023379 483055677 /nfs/dbraw/zinc/05/56/77/483055677.db2.gz MKNGKQHNDQOEHW-LLVKDONJSA-N -1 3 287.323 1.620 10 0 CDAEHM CO[C@@H](C(=O)Nc1nc(-c2ccccn2)n[n-]1)C1CCC1 ZINC000667023379 483055682 /nfs/dbraw/zinc/05/56/82/483055682.db2.gz MKNGKQHNDQOEHW-LLVKDONJSA-N -1 3 287.323 1.620 10 0 CDAEHM CO[C@@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)C1CCC1 ZINC000667023379 483055687 /nfs/dbraw/zinc/05/56/87/483055687.db2.gz MKNGKQHNDQOEHW-LLVKDONJSA-N -1 3 287.323 1.620 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2nnc3n2CCC3)o1 ZINC000678614768 483131829 /nfs/dbraw/zinc/13/18/29/483131829.db2.gz GRHQXZCKHGEUNT-SECBINFHSA-N -1 3 296.352 1.165 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(CC3CC3)C2)o1 ZINC000678614588 483132111 /nfs/dbraw/zinc/13/21/11/483132111.db2.gz DRUODABCMZVDQN-GFCCVEGCSA-N -1 3 284.381 1.351 10 0 CDAEHM C[C@@H](CNC(=O)c1cccc2nn[n-]c21)c1ccncc1 ZINC000682164648 483156227 /nfs/dbraw/zinc/15/62/27/483156227.db2.gz RTOKEEQSNAQJND-JTQLQIEISA-N -1 3 281.319 1.886 10 0 CDAEHM C[C@@H](CNC(=O)c1cccc2[n-]nnc21)c1ccncc1 ZINC000682164648 483156232 /nfs/dbraw/zinc/15/62/32/483156232.db2.gz RTOKEEQSNAQJND-JTQLQIEISA-N -1 3 281.319 1.886 10 0 CDAEHM C[C@@H](CNC(=O)c1cccc2n[n-]nc21)c1ccncc1 ZINC000682164648 483156234 /nfs/dbraw/zinc/15/62/34/483156234.db2.gz RTOKEEQSNAQJND-JTQLQIEISA-N -1 3 281.319 1.886 10 0 CDAEHM COc1cc(C(=O)N2CC3(CC(F)C3)C2)ccc1[O-] ZINC000682361715 483200231 /nfs/dbraw/zinc/20/02/31/483200231.db2.gz DOJHGZHPJISWMU-UHFFFAOYSA-N -1 3 265.284 1.975 10 0 CDAEHM Cc1cccc(C(=O)N2C[C@@H](O)CC(F)(F)C2)c1[O-] ZINC000682586095 483296033 /nfs/dbraw/zinc/29/60/33/483296033.db2.gz GJFVWRBCQIXQRM-VIFPVBQESA-N -1 3 271.263 1.543 10 0 CDAEHM O=C(c1ccc2n[n-]nc2c1)N1CC(CC(F)(F)F)C1 ZINC000675375221 483296573 /nfs/dbraw/zinc/29/65/73/483296573.db2.gz UAJHUHGMPUADMT-UHFFFAOYSA-N -1 3 284.241 1.982 10 0 CDAEHM CCc1cc(NC(=O)CC[C@@H]2NC(=O)[N-]C2=O)ccc1C ZINC000679200897 483299550 /nfs/dbraw/zinc/29/95/50/483299550.db2.gz SZEQMCGLGJPRGP-LBPRGKRZSA-N -1 3 289.335 1.484 10 0 CDAEHM Cc1ccc2cc(CN3CCN4C(=O)[N-]C(=O)[C@H]4C3)[nH]c2c1 ZINC000667946722 483487652 /nfs/dbraw/zinc/48/76/52/483487652.db2.gz UVMUCVDNZPTNSS-CQSZACIVSA-N -1 3 298.346 1.212 10 0 CDAEHM CCc1c(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cnn1C ZINC000676454676 483496435 /nfs/dbraw/zinc/49/64/35/483496435.db2.gz WYHBIUBKWOFMSX-UHFFFAOYSA-N -1 3 299.338 1.358 10 0 CDAEHM CCc1c(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cnn1C ZINC000676454676 483496438 /nfs/dbraw/zinc/49/64/38/483496438.db2.gz WYHBIUBKWOFMSX-UHFFFAOYSA-N -1 3 299.338 1.358 10 0 CDAEHM COc1cc2c(cc1C(=O)[N-]c1cnoc1)OCO2 ZINC000680534291 483652968 /nfs/dbraw/zinc/65/29/68/483652968.db2.gz VPFHXEIGPLUMKS-UHFFFAOYSA-N -1 3 262.221 1.664 10 0 CDAEHM CCN(C[C@H](C)C(=O)[O-])C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000061226874 521239337 /nfs/dbraw/zinc/23/93/37/521239337.db2.gz DTGJWQXMGMUZDF-RYUDHWBXSA-N -1 3 285.388 1.175 10 0 CDAEHM CCC(CC)NC(=O)CN1CCCC[C@@H]1CC(=O)[O-] ZINC000049286516 521574649 /nfs/dbraw/zinc/57/46/49/521574649.db2.gz UPMZAKJLQNIHKI-GFCCVEGCSA-N -1 3 270.373 1.620 10 0 CDAEHM CC(C)NCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000050927304 519719580 /nfs/dbraw/zinc/71/95/80/519719580.db2.gz LRVRFJHYGGAMMR-NSHDSACASA-N -1 3 256.346 1.230 10 0 CDAEHM CC(C)[C@@H](CN(C)C)NC(=O)N(CC(=O)[O-])CC1CC1 ZINC000049230370 519793176 /nfs/dbraw/zinc/79/31/76/519793176.db2.gz QMSJFESUOYVNJJ-GFCCVEGCSA-N -1 3 285.388 1.079 10 0 CDAEHM CCO[C@@H](CCN(CC)Cc1ccncc1)C(=O)[O-] ZINC000062754188 520292254 /nfs/dbraw/zinc/29/22/54/520292254.db2.gz WBNPOBQEMNRSBS-ZDUSSCGKSA-N -1 3 266.341 1.783 10 0 CDAEHM CCN(CC(=O)NCc1cccs1)[C@H](C)CC(=O)[O-] ZINC000061182514 520342041 /nfs/dbraw/zinc/34/20/41/520342041.db2.gz QQWSNSGDAVGBSL-SNVBAGLBSA-N -1 3 284.381 1.549 10 0 CDAEHM CCC[C@@H](NC(=O)N[C@H](CN(C)C)C(C)C)C(=O)[O-] ZINC000049230676 520743700 /nfs/dbraw/zinc/74/37/00/520743700.db2.gz QOYPRYRXEHOQQU-GHMZBOCLSA-N -1 3 273.377 1.125 10 0 CDAEHM CCN(CCOC)CCOc1ccc(CC(=O)[O-])cc1 ZINC000062754852 521136177 /nfs/dbraw/zinc/13/61/77/521136177.db2.gz CSVPMCPHYXLJNP-UHFFFAOYSA-N -1 3 281.352 1.661 10 0 CDAEHM CCN([C@H](C)CC(=O)[O-])[C@@H](C)C(=O)N1CCCC1 ZINC000061182440 521474273 /nfs/dbraw/zinc/47/42/73/521474273.db2.gz XLNSXDUVIOMVFP-MNOVXSKESA-N -1 3 256.346 1.182 10 0 CDAEHM CCCn1c(=O)[n-]nc1S[C@@H](C)CC(=O)OCC ZINC000061593706 521615939 /nfs/dbraw/zinc/61/59/39/521615939.db2.gz UDVIYZFLSHIQQH-QMMMGPOBSA-N -1 3 273.358 1.415 10 0 CDAEHM COCC[C@@H](N)C(=O)N(CCCC(=O)[O-])c1ccccc1 ZINC000052809514 521818642 /nfs/dbraw/zinc/81/86/42/521818642.db2.gz OXLCWEMDNOYGLG-CYBMUJFWSA-N -1 3 294.351 1.248 10 0 CDAEHM CC[C@@H](C)[C@H](N)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000061564339 522370089 /nfs/dbraw/zinc/37/00/89/522370089.db2.gz PQRAWZVXBUYJNN-KBUNVGBDSA-N -1 3 286.278 1.975 10 0 CDAEHM COCc1csc(NC(=O)c2ccc(C(=O)OC)[n-]2)n1 ZINC000340403530 523161513 /nfs/dbraw/zinc/16/15/13/523161513.db2.gz NIGBPTHMARGJBY-UHFFFAOYSA-N -1 3 295.320 1.657 10 0 CDAEHM COCCN(C)CCNc1nc(C)cc(C)c1C(=O)[O-] ZINC000061399598 523617301 /nfs/dbraw/zinc/61/73/01/523617301.db2.gz DDVDWUCNZCDMHD-UHFFFAOYSA-N -1 3 281.356 1.387 10 0 CDAEHM COC(=O)[C@H](CC(C)C)n1ccc(=O)[n-]c1=S ZINC000052313238 523895889 /nfs/dbraw/zinc/89/58/89/523895889.db2.gz UJDVJOTUQFROOZ-QMMMGPOBSA-N -1 3 256.327 1.666 10 0 CDAEHM CN1CC[C@@H](NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])C1 ZINC000050930423 523964927 /nfs/dbraw/zinc/96/49/27/523964927.db2.gz ZGQCYSQJAFTDRC-VXGBXAGGSA-N -1 3 283.372 1.119 10 0 CDAEHM COC(=O)c1[n-]c(=NCCN2CC=CCC2)sc1C ZINC000338713637 524020144 /nfs/dbraw/zinc/02/01/44/524020144.db2.gz UARSVMBLBZCYQA-UHFFFAOYSA-N -1 3 281.381 1.334 10 0 CDAEHM COc1ccc(CN[C@@]2(C(=O)[O-])CCOC2)cc1Cl ZINC000340685382 524088065 /nfs/dbraw/zinc/08/80/65/524088065.db2.gz YOSBUMLCKHNPGS-ZDUSSCGKSA-N -1 3 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CDAEHM O=C(NCc1ccc([O-])c2ncccc12)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000616022053 349248111 /nfs/dbraw/zinc/24/81/11/349248111.db2.gz AJVRHDDRYDPXDS-XNRPHZJLSA-N -1 3 298.342 1.982 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)NCC1CSC1 ZINC000616069916 349278207 /nfs/dbraw/zinc/27/82/07/349278207.db2.gz FLCNYKZATALHOG-UHFFFAOYSA-N -1 3 255.314 1.553 10 0 CDAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000620208337 350092579 /nfs/dbraw/zinc/09/25/79/350092579.db2.gz NYPUXMVJVANPBG-SECBINFHSA-N -1 3 292.339 1.122 10 0 CDAEHM C[C@H](CNC(=O)c1c([O-])cc(F)cc1F)N(C)C ZINC000620969047 350389075 /nfs/dbraw/zinc/38/90/75/350389075.db2.gz HSRCUQQCVUVEDH-SSDOTTSWSA-N -1 3 258.268 1.350 10 0 CDAEHM N#C[N-]C(=O)c1cc(Br)cnc1Cl ZINC000236041400 362964591 /nfs/dbraw/zinc/96/45/91/362964591.db2.gz HIIGVEBBUFZBOD-UHFFFAOYSA-N -1 3 260.478 1.708 10 0 CDAEHM C[C@@H](NCC(=O)[N-]OCc1ccccc1)c1cn[nH]c1 ZINC000275257612 365978777 /nfs/dbraw/zinc/97/87/77/365978777.db2.gz ZMNJONHTIUYLLX-LLVKDONJSA-N -1 3 274.324 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ZINC000566688365 370793677 /nfs/dbraw/zinc/79/36/77/370793677.db2.gz XVILFXWRRXKTEW-UHFFFAOYSA-N -1 3 286.291 1.090 10 0 CDAEHM COC[C@@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)OC ZINC000272732794 365371381 /nfs/dbraw/zinc/37/13/81/365371381.db2.gz BYFIRZPRIYRRFN-SNVBAGLBSA-N -1 3 290.319 1.332 10 0 CDAEHM CCc1cc(C(=O)N2CCO[C@@H]([C@H](C)O)C2)ccc1[O-] ZINC000414032192 241034421 /nfs/dbraw/zinc/03/44/21/241034421.db2.gz IXHXWALVHVQBDH-IINYFYTJSA-N -1 3 279.336 1.176 10 0 CDAEHM COC(=O)CC1(NC(=O)c2ccc(O)cc2[O-])CCCC1 ZINC000279437971 366991320 /nfs/dbraw/zinc/99/13/20/366991320.db2.gz LUNUGFKCHPHPCF-UHFFFAOYSA-N -1 3 293.319 1.704 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@H](O)C2)c1 ZINC000401550745 366995611 /nfs/dbraw/zinc/99/56/11/366995611.db2.gz SEHIKHWQBARSQH-ZJUUUORDSA-N -1 3 265.309 1.244 10 0 CDAEHM COc1ccc([O-])c(C(=O)NCCNc2ccccn2)c1 ZINC000357725340 367169629 /nfs/dbraw/zinc/16/96/29/367169629.db2.gz WRVUASKOQNUYAE-UHFFFAOYSA-N -1 3 287.319 1.638 10 0 CDAEHM COC1(c2ccccc2)CN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000627219378 367727806 /nfs/dbraw/zinc/72/78/06/367727806.db2.gz CJBGSGHVVZPORM-UHFFFAOYSA-N -1 3 285.303 1.180 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1cscn1 ZINC000528543577 367890220 /nfs/dbraw/zinc/89/02/20/367890220.db2.gz BAYGASMNLFXOLL-QHOPCYEYSA-N -1 3 276.383 1.233 10 0 CDAEHM CCc1[n-][nH]c(=NC(=O)[C@H](C)[C@@H](C)COC)c1C ZINC000360198883 368171392 /nfs/dbraw/zinc/17/13/92/368171392.db2.gz NDCCIHMYCAQWMO-DTWKUNHWSA-N -1 3 253.346 1.560 10 0 CDAEHM CC(C)[C@@H](NC(=O)c1cccc([O-])c1)C(C)(C)O ZINC000360460656 368304164 /nfs/dbraw/zinc/30/41/64/368304164.db2.gz QOQPZLTVCBDMAH-GFCCVEGCSA-N -1 3 251.326 1.918 10 0 CDAEHM COc1nnc(NC(=O)c2ccc3nc(C)c(C)nc3c2)[n-]1 ZINC000540914642 368569881 /nfs/dbraw/zinc/56/98/81/368569881.db2.gz DQUODFMEYBEKNQ-UHFFFAOYSA-N -1 3 298.306 1.626 10 0 CDAEHM COc1nc(NC(=O)c2ccc3nc(C)c(C)nc3c2)n[n-]1 ZINC000540914642 368569885 /nfs/dbraw/zinc/56/98/85/368569885.db2.gz DQUODFMEYBEKNQ-UHFFFAOYSA-N 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ZINC000582530648 372349307 /nfs/dbraw/zinc/34/93/07/372349307.db2.gz CTSQPVKRSCNOMI-GXFFZTMASA-N -1 3 286.335 1.363 10 0 CDAEHM C[C@H](COCc1ccccc1)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000360800623 372616471 /nfs/dbraw/zinc/61/64/71/372616471.db2.gz OSOYMWRKQIERKR-LLVKDONJSA-N -1 3 295.364 1.293 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000177412255 372855426 /nfs/dbraw/zinc/85/54/26/372855426.db2.gz YUKVBPSUDQQFEO-NWDGAFQWSA-N -1 3 290.363 1.729 10 0 CDAEHM CN[C@H](C(=O)[O-])c1cscc1Br ZINC000307589207 373044705 /nfs/dbraw/zinc/04/47/05/373044705.db2.gz ZVRKWSFTZRIDDZ-LURJTMIESA-N -1 3 250.117 1.856 10 0 CDAEHM COc1cccc(C(=O)NC[C@H]2CCCC2=O)c1[O-] ZINC000189970044 373309764 /nfs/dbraw/zinc/30/97/64/373309764.db2.gz DDUFOVJWLGMVSY-SECBINFHSA-N -1 3 263.293 1.500 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(C3CC3)C2)o1 ZINC000334322751 374900910 /nfs/dbraw/zinc/90/09/10/374900910.db2.gz YMNMVEPIFOHWOL-JTQLQIEISA-N -1 3 270.354 1.103 10 0 CDAEHM O=C(NC1CCC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000334373026 375077706 /nfs/dbraw/zinc/07/77/06/375077706.db2.gz SGIXOSYTTFMXAP-CYBMUJFWSA-N -1 3 288.347 1.666 10 0 CDAEHM COC[C@H](O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000127705605 375078041 /nfs/dbraw/zinc/07/80/41/375078041.db2.gz OOYYKIYUHAFJGF-OAHLLOKOSA-N -1 3 293.363 1.294 10 0 CDAEHM Cc1cccc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)c1[O-] ZINC000127149095 375045132 /nfs/dbraw/zinc/04/51/32/375045132.db2.gz WLLUCLCYFHAOQF-CYBMUJFWSA-N -1 3 290.363 1.294 10 0 CDAEHM COCCC1(C(=O)Nc2cc(-c3nccn3C)[n-]n2)CC1 ZINC000127263224 375050822 /nfs/dbraw/zinc/05/08/22/375050822.db2.gz JWWUEKFTAKHAKE-UHFFFAOYSA-N -1 3 289.339 1.565 10 0 CDAEHM COCCC1(C(=O)Nc2cc(-c3nccn3C)n[n-]2)CC1 ZINC000127263224 375050827 /nfs/dbraw/zinc/05/08/27/375050827.db2.gz JWWUEKFTAKHAKE-UHFFFAOYSA-N -1 3 289.339 1.565 10 0 CDAEHM CC(C)(C(=O)NCc1ncccc1[O-])C1CCC(O)CC1 ZINC000416215363 375597963 /nfs/dbraw/zinc/59/79/63/375597963.db2.gz GYMNCWYEIIVPQC-UHFFFAOYSA-N -1 3 292.379 1.981 10 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1.623 10 0 CDAEHM COC(=O)C1(C)CN(Cc2nc(C)ccc2[O-])C1 ZINC000425372465 376915273 /nfs/dbraw/zinc/91/52/73/376915273.db2.gz JPKOLSDXYDGZBV-UHFFFAOYSA-N -1 3 250.298 1.091 10 0 CDAEHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632039228 376939791 /nfs/dbraw/zinc/93/97/91/376939791.db2.gz XKWSNFXPPIAZPQ-SFYZADRCSA-N -1 3 278.399 1.952 10 0 CDAEHM CO[C@@H](C[N-]S(=O)(=O)CC1(OC)CCCC1)C(C)C ZINC000632055804 376959085 /nfs/dbraw/zinc/95/90/85/376959085.db2.gz HTNPQHBRDXGPAO-LBPRGKRZSA-N -1 3 293.429 1.536 10 0 CDAEHM O=c1[nH]cc(S(=O)(=O)[N-][C@H]2CC23CCCCC3)s1 ZINC000632171720 377088066 /nfs/dbraw/zinc/08/80/66/377088066.db2.gz BNSAYGHKYSUIHD-QMMMGPOBSA-N -1 3 288.394 1.850 10 0 CDAEHM Cc1ccoc1CN(C)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000345024573 377127309 /nfs/dbraw/zinc/12/73/09/377127309.db2.gz IZDZMRDPNGZING-UHFFFAOYSA-N -1 3 290.323 1.422 10 0 CDAEHM Cc1ccc([C@@H](C)N(C)C(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000264861704 190139702 /nfs/dbraw/zinc/13/97/02/190139702.db2.gz 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ZINC000372498114 160126121 /nfs/dbraw/zinc/12/61/21/160126121.db2.gz WAERYNPNJMYNTI-UHFFFAOYSA-N -1 3 297.354 1.960 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CC(CC(F)(F)F)C1 ZINC000655392680 412169818 /nfs/dbraw/zinc/16/98/18/412169818.db2.gz KVTBDDKPWQRLAT-UHFFFAOYSA-N -1 3 274.242 1.741 10 0 CDAEHM CCC(C)(C)NC(=O)[C@H](C)N[C@H](C(=O)[O-])C(C)C ZINC000035390988 172174576 /nfs/dbraw/zinc/17/45/76/172174576.db2.gz TVQXBTYZPJGQAB-UWVGGRQHSA-N -1 3 258.362 1.379 10 0 CDAEHM CC(C)[C@@H](N[C@@H](C)C(=O)NC1CCCC1)C(=O)[O-] ZINC000035391064 172174779 /nfs/dbraw/zinc/17/47/79/172174779.db2.gz AKHOROOBCKLUTJ-GXSJLCMTSA-N -1 3 256.346 1.133 10 0 CDAEHM O=C([O-])CCCNCC(=O)Nc1cccc(Cl)c1 ZINC000035415548 172189637 /nfs/dbraw/zinc/18/96/37/172189637.db2.gz RGPUQDKYYCGLGI-UHFFFAOYSA-N -1 3 270.716 1.733 10 0 CDAEHM O=C([O-])CCCNCC(=O)Nc1ccc(F)cc1F ZINC000035415673 172190433 /nfs/dbraw/zinc/19/04/33/172190433.db2.gz HESMFPSURJDILY-UHFFFAOYSA-N -1 3 272.251 1.358 10 0 CDAEHM Cc1cc(CS(=O)(=O)[N-]C[C@H](O)c2ccccc2)no1 ZINC000035611587 172298161 /nfs/dbraw/zinc/29/81/61/172298161.db2.gz DCLQFWZRFLRGJF-ZDUSSCGKSA-N -1 3 296.348 1.136 10 0 CDAEHM CC[C@@H](NC(=O)NCc1ncccc1[O-])[C@H]1CCCCO1 ZINC000654716442 413631964 /nfs/dbraw/zinc/63/19/64/413631964.db2.gz OXFLXKPSAYHFDW-BXUZGUMPSA-N -1 3 293.367 1.934 10 0 CDAEHM O=C([O-])[C@H](C(=O)N1CC[C@@H](N2CCCCC2)C1)C1CC1 ZINC000663115836 413953259 /nfs/dbraw/zinc/95/32/59/413953259.db2.gz VYABHZPKCHBJFO-OLZOCXBDSA-N -1 3 280.368 1.184 10 0 CDAEHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccccn2)O1 ZINC000657152760 413977902 /nfs/dbraw/zinc/97/79/02/413977902.db2.gz GSDVIAOMQHISRQ-WDEREUQCSA-N -1 3 270.354 1.318 10 0 CDAEHM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C[C@]1(C)CC1(F)F ZINC000657157413 413984098 /nfs/dbraw/zinc/98/40/98/413984098.db2.gz SZUVGWNOSIVKHU-JTQLQIEISA-N -1 3 293.339 1.361 10 0 CDAEHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccco2)O1 ZINC000657155183 413985228 /nfs/dbraw/zinc/98/52/28/413985228.db2.gz OIRKLEDWDOCUDL-NXEZZACHSA-N -1 3 259.327 1.516 10 0 CDAEHM COc1cccc([C@@H](NC(C)C)C(=O)[O-])c1OC ZINC000037183243 173015946 /nfs/dbraw/zinc/01/59/46/173015946.db2.gz IKMWVURXRFRITG-LLVKDONJSA-N -1 3 253.298 1.828 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CC3(CCC3)OC[C@@H]2C)n1 ZINC000661469307 414106608 /nfs/dbraw/zinc/10/66/08/414106608.db2.gz LLLSBGQRAUANHC-NSHDSACASA-N -1 3 277.368 1.888 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CC3(CCC3)OC[C@H]2C)n1 ZINC000661469306 414109842 /nfs/dbraw/zinc/10/98/42/414109842.db2.gz LLLSBGQRAUANHC-LLVKDONJSA-N -1 3 277.368 1.888 10 0 CDAEHM N[C@H](CC(=O)NC[C@H](C(=O)[O-])C1CCC1)c1ccccc1 ZINC000663279774 414116299 /nfs/dbraw/zinc/11/62/99/414116299.db2.gz LXDASYCEVIRLFR-UONOGXRCSA-N -1 3 290.363 1.694 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)[C@]2(C)CCCCO2)n[n-]1 ZINC000665377681 414122644 /nfs/dbraw/zinc/12/26/44/414122644.db2.gz NBYZFLBTHWCKOV-AWEZNQCLSA-N -1 3 289.339 1.708 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)[C@]2(C)CCCCO2)[n-]n1 ZINC000665377681 414122651 /nfs/dbraw/zinc/12/26/51/414122651.db2.gz NBYZFLBTHWCKOV-AWEZNQCLSA-N -1 3 289.339 1.708 10 0 CDAEHM C[C@]1(CNC(=O)NCc2ncccc2[O-])CC1(F)F ZINC000661816155 414381750 /nfs/dbraw/zinc/38/17/50/414381750.db2.gz CLNRBSISAJALKI-LLVKDONJSA-N -1 3 271.267 1.632 10 0 CDAEHM CSCC[C@H](NC(=O)C[C@H](N)c1ccccc1)C(=O)[O-] ZINC000040471256 174279657 /nfs/dbraw/zinc/27/96/57/174279657.db2.gz FAATXBUMTSEGNI-RYUDHWBXSA-N -1 3 296.392 1.399 10 0 CDAEHM CC(C)NCC(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000040479991 174284419 /nfs/dbraw/zinc/28/44/19/174284419.db2.gz RREPTVYCDRBBNK-UHFFFAOYSA-N -1 3 254.261 1.460 10 0 CDAEHM CC[C@@H](C)[C@H](N)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000040480827 174284723 /nfs/dbraw/zinc/28/47/23/174284723.db2.gz XUMHOLWYZLKFMR-RNCFNFMXSA-N -1 3 276.336 1.647 10 0 CDAEHM CC(C)(C)[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)[O-] ZINC000040482035 174285844 /nfs/dbraw/zinc/28/58/44/174285844.db2.gz SBUVTFJPDQEVDV-VXGBXAGGSA-N -1 3 278.352 1.172 10 0 CDAEHM Cc1ccc(N(CC(=O)[O-])C(=O)[C@H]2CCCCN2)cc1 ZINC000040483808 174287168 /nfs/dbraw/zinc/28/71/68/174287168.db2.gz DEKTVPLFUDPTIN-CYBMUJFWSA-N -1 3 276.336 1.555 10 0 CDAEHM CN1CCC[C@@H](NC(=O)CC2(C(=O)[O-])CCCC2)C1 ZINC000040673238 174371883 /nfs/dbraw/zinc/37/18/83/174371883.db2.gz JTMGGIHVHGSQOQ-LLVKDONJSA-N -1 3 268.357 1.232 10 0 CDAEHM CN1CCC[C@H](Nc2cc(C(=O)[O-])cc(Cl)n2)C1 ZINC000040716212 174383347 /nfs/dbraw/zinc/38/33/47/174383347.db2.gz WPIRRGRENAUOCR-VIFPVBQESA-N -1 3 269.732 1.939 10 0 CDAEHM C[C@@](N)(C(=O)NCC1(CC(=O)[O-])CCCCC1)C1CC1 ZINC000043413734 175037569 /nfs/dbraw/zinc/03/75/69/175037569.db2.gz KAYRQQWRSAHHTA-AWEZNQCLSA-N -1 3 282.384 1.655 10 0 CDAEHM CC(C)NCc1cc2c(cc1O[C@H](C)C(=O)[O-])OCO2 ZINC000043625633 175081962 /nfs/dbraw/zinc/08/19/62/175081962.db2.gz OVPWQMGCYGZTGL-SECBINFHSA-N -1 3 281.308 1.765 10 0 CDAEHM CC(C)NCc1cc2c(cc1O[C@@H](C)C(=O)[O-])OCO2 ZINC000043625631 175082096 /nfs/dbraw/zinc/08/20/96/175082096.db2.gz OVPWQMGCYGZTGL-VIFPVBQESA-N -1 3 281.308 1.765 10 0 CDAEHM CCC(CC)(CC(=O)NC[C@H]1CCCCN1C)C(=O)[O-] ZINC000044564003 175207745 /nfs/dbraw/zinc/20/77/45/175207745.db2.gz PLPZGAZFKONAOR-GFCCVEGCSA-N -1 3 284.400 1.868 10 0 CDAEHM C[C@](N)(C(=O)N1CCc2sccc2[C@H]1C(=O)[O-])C1CC1 ZINC000044592641 175213530 /nfs/dbraw/zinc/21/35/30/175213530.db2.gz PYWCTWBUITZTQG-SMDDNHRTSA-N -1 3 294.376 1.386 10 0 CDAEHM CC[C@@H](C)[C@H](N)C(=O)N1CCc2sccc2[C@@H]1C(=O)[O-] ZINC000044592605 175213786 /nfs/dbraw/zinc/21/37/86/175213786.db2.gz GIVROAARMWFAHQ-JFUSQASVSA-N -1 3 296.392 1.632 10 0 CDAEHM CC[C@H](C(=O)[O-])N(C)Cc1cc(C(N)=O)ccc1F ZINC000044622267 175220394 /nfs/dbraw/zinc/22/03/94/175220394.db2.gz RQLFSFVQCPMULR-LLVKDONJSA-N -1 3 268.288 1.220 10 0 CDAEHM CC[C@@H](C(=O)[O-])N(C)C(=O)Nc1ccccc1CNC ZINC000044629135 175221975 /nfs/dbraw/zinc/22/19/75/175221975.db2.gz UZTXJFOCSQOZLD-LBPRGKRZSA-N -1 3 279.340 1.733 10 0 CDAEHM CCOC[C@H](C)[N-]S(=O)(=O)c1cc(N)c(F)cc1F ZINC000044687108 175232359 /nfs/dbraw/zinc/23/23/59/175232359.db2.gz KLKKZSFFYHSTBO-ZETCQYMHSA-N -1 3 294.323 1.250 10 0 CDAEHM C[C@H](CNC(=O)N(CCC(=O)[O-])c1ccccc1)N(C)C ZINC000045111779 175310323 /nfs/dbraw/zinc/31/03/23/175310323.db2.gz NTERJPYDVGBBAL-GFCCVEGCSA-N -1 3 293.367 1.627 10 0 CDAEHM C[C@H](CC(=O)[O-])NCc1ccc(S(C)(=O)=O)cc1 ZINC000045173575 175322600 /nfs/dbraw/zinc/32/26/00/175322600.db2.gz CVIZQPQKAUQHCP-SECBINFHSA-N -1 3 271.338 1.043 10 0 CDAEHM CN1CC[C@@H](N2CCC(n3cccc3C(=O)[O-])CC2)C1=O ZINC000071184616 176059673 /nfs/dbraw/zinc/05/96/73/176059673.db2.gz PCLSPWJXKXTURF-GFCCVEGCSA-N -1 3 291.351 1.054 10 0 CDAEHM NCc1cc(S(=O)(=O)[N-]c2cccnc2)ccc1F ZINC000071238668 176093876 /nfs/dbraw/zinc/09/38/76/176093876.db2.gz ULZWVLACXQZBAQ-UHFFFAOYSA-N -1 3 281.312 1.480 10 0 CDAEHM CC(=O)C(=C(C)[O-])n1cc(Br)ccc1=O ZINC000071514978 176193229 /nfs/dbraw/zinc/19/32/29/176193229.db2.gz NDUCQFALROISJM-UHFFFAOYSA-N -1 3 272.098 1.330 10 0 CDAEHM COc1cc(OC)c([C@H](NCC2CC2)C(=O)[O-])c(OC)c1 ZINC000037967540 260122279 /nfs/dbraw/zinc/12/22/79/260122279.db2.gz RZNMJIOSDNSBLW-AWEZNQCLSA-N -1 3 295.335 1.838 10 0 CDAEHM Cc1ccc([O-])c(C(=O)NCCc2cn(C)cn2)c1 ZINC000313474216 260297613 /nfs/dbraw/zinc/29/76/13/260297613.db2.gz QXJLSCRMMWFVDI-UHFFFAOYSA-N -1 3 259.309 1.407 10 0 CDAEHM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2cscn2)cn1 ZINC000518764075 261396844 /nfs/dbraw/zinc/39/68/44/261396844.db2.gz RGTXREAIDJBWJW-MRVPVSSYSA-N -1 3 286.382 1.399 10 0 CDAEHM O=C(CSc1n[n-]c(-c2ccccn2)n1)C1CC1 ZINC000117112654 423872323 /nfs/dbraw/zinc/87/23/23/423872323.db2.gz HGFQQRNAFCWNLH-UHFFFAOYSA-N -1 3 260.322 1.938 10 0 CDAEHM NC(=O)[C@H]1C[C@@H](NCc2cccc([O-])c2Cl)C1 ZINC000651939048 423934971 /nfs/dbraw/zinc/93/49/71/423934971.db2.gz RFCRZMDSBCFOIU-DTORHVGOSA-N -1 3 254.717 1.399 10 0 CDAEHM COc1ccc([O-])c(C(=O)NCC[C@@H]2CCCOC2)c1 ZINC000529603291 271002937 /nfs/dbraw/zinc/00/29/37/271002937.db2.gz VUEXMBVERSCRGB-NSHDSACASA-N -1 3 279.336 1.947 10 0 CDAEHM Cc1ccncc1CN(C)C(=O)c1cccc2[n-]nnc21 ZINC000530305243 271198555 /nfs/dbraw/zinc/19/85/55/271198555.db2.gz NHYKVISGRFHRNP-UHFFFAOYSA-N -1 3 281.319 1.934 10 0 CDAEHM Cc1ccncc1CN(C)C(=O)c1cccc2nn[n-]c21 ZINC000530305243 271198558 /nfs/dbraw/zinc/19/85/58/271198558.db2.gz NHYKVISGRFHRNP-UHFFFAOYSA-N -1 3 281.319 1.934 10 0 CDAEHM Cc1ccncc1CN(C)C(=O)c1cccc2n[n-]nc21 ZINC000530305243 271198560 /nfs/dbraw/zinc/19/85/60/271198560.db2.gz NHYKVISGRFHRNP-UHFFFAOYSA-N -1 3 281.319 1.934 10 0 CDAEHM CC1(C)SC[C@@H]1N/C=C1/C(=O)[N-]C(=O)c2ccccc21 ZINC000282721902 276157548 /nfs/dbraw/zinc/15/75/48/276157548.db2.gz WGNQKBNIVVVMSJ-VNKGSWCUSA-N -1 3 288.372 1.781 10 0 CDAEHM CC(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000096767778 280370228 /nfs/dbraw/zinc/37/02/28/280370228.db2.gz PJQHXTGJZRMNDO-MNOVXSKESA-N -1 3 271.386 1.903 10 0 CDAEHM CCC(CC)[C@H](C)C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000517035503 280969389 /nfs/dbraw/zinc/96/93/89/280969389.db2.gz LIPGHQGOPXHNGI-CMPLNLGQSA-N -1 3 293.415 1.963 10 0 CDAEHM CCc1ncncc1C(=O)NCc1ncccc1[O-] ZINC000527481344 281143492 /nfs/dbraw/zinc/14/34/92/281143492.db2.gz HGGAFBATIXTGRF-UHFFFAOYSA-N -1 3 258.281 1.070 10 0 CDAEHM COc1ccc(CC[N-]S(=O)(=O)c2cscn2)cn1 ZINC000528532548 281255664 /nfs/dbraw/zinc/25/56/64/281255664.db2.gz ZGWALEYDZMKGNU-UHFFFAOYSA-N -1 3 299.377 1.068 10 0 CDAEHM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000334883001 281291849 /nfs/dbraw/zinc/29/18/49/281291849.db2.gz SRBTXXUPZPYXET-NSHDSACASA-N -1 3 291.319 1.668 10 0 CDAEHM COc1cccc(C(=O)N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1[O-] ZINC000529985554 281408913 /nfs/dbraw/zinc/40/89/13/281408913.db2.gz LRWXIQYPQLYTDM-QYTUQVAYSA-N -1 3 279.336 1.943 10 0 CDAEHM CCCN(CCC)S(=O)(=O)NCc1ncccc1[O-] ZINC000530375841 281479596 /nfs/dbraw/zinc/47/95/96/281479596.db2.gz FAYBKSBKMQPUTI-UHFFFAOYSA-N -1 3 287.385 1.244 10 0 CDAEHM CN(C)[C@@H]1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000132231954 289316138 /nfs/dbraw/zinc/31/61/38/289316138.db2.gz KMEFOFPMDMUGJV-SECBINFHSA-N -1 3 286.734 1.961 10 0 CDAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)Nc1ccncc1F ZINC000548417898 289881567 /nfs/dbraw/zinc/88/15/67/289881567.db2.gz 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/nfs/dbraw/zinc/02/47/82/293024782.db2.gz LSBMRGBSQKSQAR-QMMMGPOBSA-N -1 3 274.280 1.187 10 0 CDAEHM COc1cc(=NC(=O)N2CCS[C@H](C)CC2)[n-]n1C ZINC000562363805 293143712 /nfs/dbraw/zinc/14/37/12/293143712.db2.gz UVQQKHMPBMIKAF-SECBINFHSA-N -1 3 284.385 1.210 10 0 CDAEHM C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)c1ccc([O-])cc1F ZINC000416308392 297006925 /nfs/dbraw/zinc/00/69/25/297006925.db2.gz MDKRYONKDNLVBD-WDEREUQCSA-N -1 3 296.342 1.058 10 0 CDAEHM Cc1cnc(CCN(C)C(=O)Cc2cncc([O-])c2)s1 ZINC000565607171 293646421 /nfs/dbraw/zinc/64/64/21/293646421.db2.gz HLCTZWPEYLCYAJ-UHFFFAOYSA-N -1 3 291.376 1.796 10 0 CDAEHM CC[C@@H](C)C[C@H]([N-]S(=O)(=O)C1CC1)C(=O)OC ZINC000568388689 294026260 /nfs/dbraw/zinc/02/62/60/294026260.db2.gz NYBPRNWCBSWHHJ-SCZZXKLOSA-N -1 3 263.359 1.046 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)c2ccc(N3CCC3)nc2)n1 ZINC000568356662 294019606 /nfs/dbraw/zinc/01/96/06/294019606.db2.gz CCNIKYBRPDMPRM-UHFFFAOYSA-N -1 3 284.319 1.953 10 0 CDAEHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1cscn1)C1CC1 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271.361 1.023 10 0 CDAEHM CCN(C[C@H](C)C(=O)[O-])C(=O)[C@H](N)Cc1ccccc1 ZINC000061221596 521243435 /nfs/dbraw/zinc/24/34/35/521243435.db2.gz PSXUMYUBALYYRT-WCQYABFASA-N -1 3 278.352 1.126 10 0 CDAEHM CCN1CCC(N(C)c2ccc(C(=O)[O-])o2)CC1 ZINC000050909278 521567024 /nfs/dbraw/zinc/56/70/24/521567024.db2.gz MRZCMSUHRWYCLB-UHFFFAOYSA-N -1 3 252.314 1.898 10 0 CDAEHM CCCn1c(=O)[n-]nc1Sc1ccc(Cl)nn1 ZINC000061596000 521615695 /nfs/dbraw/zinc/61/56/95/521615695.db2.gz IJIDBBXNDGEEGC-UHFFFAOYSA-N -1 3 271.733 1.576 10 0 CDAEHM CCc1nc(N2CCC[C@@H]2CN(C)C)sc1C(=O)[O-] ZINC000061655565 522385192 /nfs/dbraw/zinc/38/51/92/522385192.db2.gz HBXHHCKEELKVAM-SECBINFHSA-N -1 3 283.397 1.934 10 0 CDAEHM CC[C@@H](NC(=O)N[C@@H](C)CN1CCCCC1)C(=O)[O-] ZINC000049502783 522736986 /nfs/dbraw/zinc/73/69/86/522736986.db2.gz DMCNILIFFCZSLR-WDEREUQCSA-N -1 3 271.361 1.023 10 0 CDAEHM COc1ccc(/C=C/C(=O)[O-])cc1CN1CC[C@@H](O)C1 ZINC000061711538 523397481 /nfs/dbraw/zinc/39/74/81/523397481.db2.gz GVNYUDUDORXXGH-MASHWEEQSA-N -1 3 277.320 1.360 10 0 CDAEHM COc1ccc(C(=O)NCc2cnc(C)cn2)c([O-])c1 ZINC000061322946 523714644 /nfs/dbraw/zinc/71/46/44/523714644.db2.gz KSFZSWLGQYSXCS-UHFFFAOYSA-N -1 3 273.292 1.429 10 0 CDAEHM CN1CCC(Oc2nc3c(cc2C(=O)[O-])CCC3)CC1 ZINC000054553676 523783056 /nfs/dbraw/zinc/78/30/56/523783056.db2.gz YQPYIQKOYGIBDM-UHFFFAOYSA-N -1 3 276.336 1.742 10 0 CDAEHM CN(C(=O)CN1CCC(C)(C(=O)[O-])CC1)C1=CCCC1 ZINC000062844253 523816549 /nfs/dbraw/zinc/81/65/49/523816549.db2.gz XCJRZOFQRMTDME-UHFFFAOYSA-N -1 3 280.368 1.699 10 0 CDAEHM CN1CCN(Cc2cccc(/C=C/C(=O)[O-])c2)CC1 ZINC000049625897 523910490 /nfs/dbraw/zinc/91/04/90/523910490.db2.gz WXTIIKQRFAGCQG-AATRIKPKSA-N -1 3 260.337 1.532 10 0 CDAEHM CC[C@H](C)NC(=O)CCNC(=O)c1cccc([O-])c1 ZINC000045010734 523967607 /nfs/dbraw/zinc/96/76/07/523967607.db2.gz NMYUWMASYURJDR-JTQLQIEISA-N -1 3 264.325 1.427 10 0 CDAEHM Cc1ccc(C)c(CN2CCN(CCC(=O)[O-])CC2)c1 ZINC000049257301 524101703 /nfs/dbraw/zinc/10/17/03/524101703.db2.gz 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295.387 1.398 10 0 CDAEHM CC[C@H](C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000828075928 936362501 /nfs/dbraw/zinc/36/25/01/936362501.db2.gz OAPVUGKJLAUNBI-GXSJLCMTSA-N -1 3 275.370 1.663 10 0 CDAEHM O=C(NCC1OCCCO1)c1cc(=O)c2ccccc2[n-]1 ZINC000832789881 936602081 /nfs/dbraw/zinc/60/20/81/936602081.db2.gz WKVQFAOSFXIWNC-UHFFFAOYSA-N -1 3 288.303 1.021 10 0 CDAEHM COC[C@H](C[N-]S(=O)(=O)c1cscn1)C(C)C ZINC000921901828 921071851 /nfs/dbraw/zinc/07/18/51/921071851.db2.gz STKDBPRZUVKSCR-VIFPVBQESA-N -1 3 278.399 1.340 10 0 CDAEHM CON(C)CCCNC(=O)c1cc([O-])ccc1Cl ZINC000823720523 922047341 /nfs/dbraw/zinc/04/73/41/922047341.db2.gz UCBIMUAUXJVZSA-UHFFFAOYSA-N -1 3 272.732 1.659 10 0 CDAEHM O=C(CCn1cnnn1)Nc1c([O-])cccc1Cl ZINC001141469515 936878156 /nfs/dbraw/zinc/87/81/56/936878156.db2.gz VGXXZIQUAOEKKS-UHFFFAOYSA-N -1 3 267.676 1.061 10 0 CDAEHM C[C@@H]1CCN(C(=O)c2ccc(N)cc2[O-])C[C@H](C)O1 ZINC000852863754 927901403 /nfs/dbraw/zinc/90/14/03/927901403.db2.gz YSDRHPCMFLQMAS-ZJUUUORDSA-N -1 3 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CC[C@@H](C)C(=O)NCCCC[C@H](C)NC(=O)c1cn[n-]n1 ZINC001281570396 942596336 /nfs/dbraw/zinc/59/63/36/942596336.db2.gz WCFDMZODOQRPTB-MNOVXSKESA-N -1 3 295.387 1.256 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCC[C@H](C)OC)c1 ZINC001263794580 943976259 /nfs/dbraw/zinc/97/62/59/943976259.db2.gz ZBOZDLIEXSJABP-JTQLQIEISA-N -1 3 292.335 1.672 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](F)CC1CCCCC1 ZINC001362244432 971065398 /nfs/dbraw/zinc/06/53/98/971065398.db2.gz ZUNBHPHTHPJMTE-STQMWFEESA-N -1 3 297.374 1.923 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccnn1C1CCC1 ZINC001362385698 971215043 /nfs/dbraw/zinc/21/50/43/971215043.db2.gz FPIRFIGJXPKRLN-UHFFFAOYSA-N -1 3 289.295 1.370 10 0 CDAEHM Cn1cncc1[C@H](CO)NC(=O)c1cc([O-])ccc1Cl ZINC001363138851 971918972 /nfs/dbraw/zinc/91/89/72/971918972.db2.gz CZUWMSSDPYHEFC-NSHDSACASA-N -1 3 295.726 1.243 10 0 CDAEHM CCOc1nnc(NC(=O)c2c(C)nsc2NC)[n-]1 ZINC001363539787 953427945 /nfs/dbraw/zinc/42/79/45/953427945.db2.gz WGZOZMZYOHGFSO-UHFFFAOYSA-N -1 3 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ZINC001364505621 954703645 /nfs/dbraw/zinc/70/36/45/954703645.db2.gz SWWJVKLJBBORON-IONNQARKSA-N -1 3 275.316 1.011 10 0 CDAEHM O=Cc1ccc(F)c(C(=O)Nc2ncccc2[O-])c1 ZINC001296270328 954841483 /nfs/dbraw/zinc/84/14/83/954841483.db2.gz DIQZNNBNTQWRBC-UHFFFAOYSA-N -1 3 260.224 1.991 10 0 CDAEHM CCc1[nH]cnc1C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001298993309 955264376 /nfs/dbraw/zinc/26/43/76/955264376.db2.gz BLGFRUPCQAJLSL-UHFFFAOYSA-N -1 3 297.322 1.328 10 0 CDAEHM CSCc1nc(CNC(=O)c2ncc(C)cc2[O-])n[nH]1 ZINC001364871181 955316159 /nfs/dbraw/zinc/31/61/59/955316159.db2.gz DJHHKSWINYPGGS-UHFFFAOYSA-N -1 3 293.352 1.007 10 0 CDAEHM CSCc1n[nH]c(CNC(=O)c2ncc(C)cc2[O-])n1 ZINC001364871181 955316163 /nfs/dbraw/zinc/31/61/63/955316163.db2.gz DJHHKSWINYPGGS-UHFFFAOYSA-N -1 3 293.352 1.007 10 0 CDAEHM CSCc1nnc(CNC(=O)c2ncc(C)cc2[O-])[nH]1 ZINC001364871181 955316173 /nfs/dbraw/zinc/31/61/73/955316173.db2.gz DJHHKSWINYPGGS-UHFFFAOYSA-N -1 3 293.352 1.007 10 0 CDAEHM O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cnncc1[O-] ZINC001336644227 960435858 /nfs/dbraw/zinc/43/58/58/960435858.db2.gz RMJXUZLUPMXYLM-ZLKJLUDKSA-N -1 3 267.288 1.250 10 0 CDAEHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cnccn1 ZINC001434409544 961327239 /nfs/dbraw/zinc/32/72/39/961327239.db2.gz PDTMXIUOJFQBOV-XYPYZODXSA-N -1 3 299.334 1.428 10 0 CDAEHM O=C([N-]c1nnc2nc[nH]n12)c1scnc1C(F)F ZINC001556860878 965112891 /nfs/dbraw/zinc/11/28/91/965112891.db2.gz CSPZGLLPGCFRDC-UHFFFAOYSA-N -1 3 285.239 1.099 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCC(C)(C)O)c1 ZINC001346592651 965178121 /nfs/dbraw/zinc/17/81/21/965178121.db2.gz XJZLBWLPRJUREL-UHFFFAOYSA-N -1 3 292.335 1.408 10 0 CDAEHM CSCCCC(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001349108067 966270922 /nfs/dbraw/zinc/27/09/22/966270922.db2.gz LETACGDPYNEYHR-UHFFFAOYSA-N -1 3 283.401 1.124 10 0 CDAEHM CSCCCC(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001349108067 966270927 /nfs/dbraw/zinc/27/09/27/966270927.db2.gz LETACGDPYNEYHR-UHFFFAOYSA-N -1 3 283.401 1.124 10 0 CDAEHM COc1cc([N-]C(=O)c2nnc(-c3ccco3)o2)nn1C ZINC001447925412 966932310 /nfs/dbraw/zinc/93/23/10/966932310.db2.gz TYPMMBRROPSUIS-UHFFFAOYSA-N -1 3 289.251 1.324 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1ccccc1F ZINC001542942240 967256643 /nfs/dbraw/zinc/25/66/43/967256643.db2.gz UNGISINABXQPGT-ZHRWSRJISA-N -1 3 289.310 1.467 10 0 CDAEHM O=C([O-])[C@@H](CNCc1cn(C2CC2)cn1)CC1CC1 ZINC001353944730 968360031 /nfs/dbraw/zinc/36/00/31/968360031.db2.gz IKQHUCGBPJJKLQ-LLVKDONJSA-N -1 3 263.341 1.809 10 0 CDAEHM CCOc1nnc(NC(=O)c2cnn(CC)c2CC)[n-]1 ZINC001454981828 968583679 /nfs/dbraw/zinc/58/36/79/968583679.db2.gz KAJROHKJDDUWSJ-UHFFFAOYSA-N -1 3 278.316 1.235 10 0 CDAEHM CCOc1nc(NC(=O)c2cnn(CC)c2CC)n[n-]1 ZINC001454981828 968583690 /nfs/dbraw/zinc/58/36/90/968583690.db2.gz KAJROHKJDDUWSJ-UHFFFAOYSA-N -1 3 278.316 1.235 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2cnn(CC)c2CC)n1 ZINC001454981828 968583698 /nfs/dbraw/zinc/58/36/98/968583698.db2.gz KAJROHKJDDUWSJ-UHFFFAOYSA-N -1 3 278.316 1.235 10 0 CDAEHM O=C([N-]c1c(F)ccnc1F)c1cc2n(n1)CCO2 ZINC001527210088 968660965 /nfs/dbraw/zinc/66/09/65/968660965.db2.gz KZNIQTOONQNYPU-UHFFFAOYSA-N -1 3 266.207 1.201 10 0 CDAEHM Cc1cnccc1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001455678497 968773682 /nfs/dbraw/zinc/77/36/82/968773682.db2.gz VPIAYBFYFKQRHR-UHFFFAOYSA-N -1 3 284.319 1.693 10 0 CDAEHM CO[C@](C)(CO)CNC(=O)c1cc2sccc2c([O-])c1 ZINC000848266164 968920399 /nfs/dbraw/zinc/92/03/99/968920399.db2.gz VMJDWTFPYHIJOH-AWEZNQCLSA-N -1 3 295.360 1.734 10 0 CDAEHM O=C(c1ccc(F)nc1)N1CCCc2c(=O)[n-]cnc21 ZINC001536200583 969596913 /nfs/dbraw/zinc/59/69/13/969596913.db2.gz PQRKLLNYUWGHBC-UHFFFAOYSA-N -1 3 274.255 1.309 10 0 CDAEHM Cn1c(C=O)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001464625103 969803015 /nfs/dbraw/zinc/80/30/15/969803015.db2.gz SITKOEVMXZHBHW-UHFFFAOYSA-N -1 3 296.290 1.270 10 0 CDAEHM Cn1c(C=O)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001464625103 969803020 /nfs/dbraw/zinc/80/30/20/969803020.db2.gz SITKOEVMXZHBHW-UHFFFAOYSA-N -1 3 296.290 1.270 10 0 CDAEHM COc1n[n-]c(NC(=O)c2c(Cl)n[nH]c2C2CC2)n1 ZINC001466102104 969922975 /nfs/dbraw/zinc/92/29/75/969922975.db2.gz ZYOPMTPUQOHSDS-UHFFFAOYSA-N -1 3 282.691 1.320 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)CCO)c1 ZINC001519804215 970113051 /nfs/dbraw/zinc/11/30/51/970113051.db2.gz SLKWMWUIAADBLU-SECBINFHSA-N -1 3 278.308 1.017 10 0 CDAEHM CCn1cccc1C(=O)Nc1[n-]nc2cc(C)n(C)c(=O)c21 ZINC001520239664 970163075 /nfs/dbraw/zinc/16/30/75/970163075.db2.gz KZUMBLWJGOMOCT-UHFFFAOYSA-N -1 3 299.334 1.644 10 0 CDAEHM c1[n-][nH]c2ncnc(=NCc3nc4cnccc4s3)c1-2 ZINC001472877751 970718196 /nfs/dbraw/zinc/71/81/96/970718196.db2.gz BFMUXQBQFZVAIK-UHFFFAOYSA-N -1 3 283.320 1.343 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1c[nH]cc1C1CC1 ZINC001417635778 973222460 /nfs/dbraw/zinc/22/24/60/973222460.db2.gz GMINBFSFGBBFEU-SNVBAGLBSA-N -1 3 274.324 1.134 10 0 CDAEHM CCCCC(=O)N1C[C@@H](NC(=O)c2cn[n-]n2)CC[C@H]1C ZINC001512136140 976164398 /nfs/dbraw/zinc/16/43/98/976164398.db2.gz KMOJYOMNYNENGI-MNOVXSKESA-N -1 3 293.371 1.104 10 0 CDAEHM CCCCC1(C(=O)NC[C@@H](C)NC(=O)c2cn[n-]n2)CC1 ZINC001408320086 977007648 /nfs/dbraw/zinc/00/76/48/977007648.db2.gz WHKFXHFKQOJVGG-SNVBAGLBSA-N -1 3 293.371 1.010 10 0 CDAEHM CCN(Cc1nc(=O)n(C)[n-]1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812854828 1163745289 /nfs/dbraw/zinc/74/52/89/1163745289.db2.gz YAONYPJUKPTHNN-BXUZGUMPSA-N -1 3 290.367 1.052 10 0 CDAEHM CCC[C@@](C)(NCc1nc(C)ccc1[O-])C(=O)OC ZINC000273823475 192323135 /nfs/dbraw/zinc/32/31/35/192323135.db2.gz DEAUBBDUPHRTAU-CQSZACIVSA-N -1 3 266.341 1.917 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2C[C@H]3COC[C@]3(C)C2)c1 ZINC000618720466 349516437 /nfs/dbraw/zinc/51/64/37/349516437.db2.gz HHUHXYZPWOXPBH-BONVTDFDSA-N -1 3 277.320 1.509 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)C(F)F ZINC000390379412 342560953 /nfs/dbraw/zinc/56/09/53/342560953.db2.gz XCJBJRBKARGDOX-SSDOTTSWSA-N -1 3 260.265 1.490 10 0 CDAEHM CSCCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000590557428 342576648 /nfs/dbraw/zinc/57/66/48/342576648.db2.gz AIFJTZBUUHORHE-UHFFFAOYSA-N -1 3 251.311 1.960 10 0 CDAEHM COC(=O)[C@@]1(OC)CCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000600302182 342053239 /nfs/dbraw/zinc/05/32/39/342053239.db2.gz PZBJMEGCWFVZJV-OAHLLOKOSA-N -1 3 293.319 1.105 10 0 CDAEHM C[C@@]1(C(=O)Nc2cccc(C(=O)[O-])c2)CCCCN1 ZINC000133308140 342069917 /nfs/dbraw/zinc/06/99/17/342069917.db2.gz SBMBYZKVFHDGEL-AWEZNQCLSA-N -1 3 262.309 1.856 10 0 CDAEHM CC(C)(C)N1CC[C@H]1CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000617008408 342605153 /nfs/dbraw/zinc/60/51/53/342605153.db2.gz GNLFYAVMRWCKDO-LBPRGKRZSA-N -1 3 290.363 1.564 10 0 CDAEHM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000619988773 342127591 /nfs/dbraw/zinc/12/75/91/342127591.db2.gz FUUIMMAZUXJUNO-LBPRGKRZSA-N -1 3 291.351 1.220 10 0 CDAEHM COc1cc(C(=O)NCC(O)(C2CC2)C2CC2)ccc1[O-] ZINC000619029599 349591308 /nfs/dbraw/zinc/59/13/08/349591308.db2.gz CICONCHYUIZUGP-UHFFFAOYSA-N -1 3 291.347 1.682 10 0 CDAEHM CCCN(C)S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)OC ZINC000592076091 342664055 /nfs/dbraw/zinc/66/40/55/342664055.db2.gz UQDWERWRONHARH-JTQLQIEISA-N -1 3 294.417 1.140 10 0 CDAEHM COc1cc(=NC(=O)C(C)(C)C(=O)OC(C)(C)C)[n-]n1C ZINC000592620436 342715485 /nfs/dbraw/zinc/71/54/85/342715485.db2.gz IBOYWUJAHFOPGG-UHFFFAOYSA-N -1 3 297.355 1.157 10 0 CDAEHM CC1(C(=O)C[N-]S(=O)(=O)c2ccccn2)CCCC1 ZINC000625547311 342183877 /nfs/dbraw/zinc/18/38/77/342183877.db2.gz OEXQXOQSCIXNNT-UHFFFAOYSA-N -1 3 282.365 1.509 10 0 CDAEHM C/C=C\C[N-]S(=O)(=O)c1cccc(OC)c1F ZINC000625556434 342187083 /nfs/dbraw/zinc/18/70/83/342187083.db2.gz HFOGMDRJNQHPPI-ARJAWSKDSA-N -1 3 259.302 1.689 10 0 CDAEHM CCc1cc(C(=O)N[C@@H](CCF)C(=O)OC)ccc1[O-] ZINC000593798170 342835757 /nfs/dbraw/zinc/83/57/57/342835757.db2.gz SYPNTUVMUVSQPP-NSHDSACASA-N -1 3 283.299 1.586 10 0 CDAEHM CC1(C2CC2)CCN(C(=O)C(=O)[N-]c2cnns2)CC1 ZINC000354782955 365688641 /nfs/dbraw/zinc/68/86/41/365688641.db2.gz FNUGRAGFCPQIPZ-UHFFFAOYSA-N -1 3 294.380 1.515 10 0 CDAEHM CN1C[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)CC1=O ZINC000279574138 539126755 /nfs/dbraw/zinc/12/67/55/539126755.db2.gz PWRHEGVLVGJICH-LBPRGKRZSA-N -1 3 284.315 1.506 10 0 CDAEHM NC(=O)[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000281070223 539128457 /nfs/dbraw/zinc/12/84/57/539128457.db2.gz ZVKSWMFGUYOWIA-NSHDSACASA-N -1 3 284.315 1.493 10 0 CDAEHM CCc1cc(C(=O)NC(C)(C)[C@@H](C)O)ccc1[O-] ZINC000291695193 529515947 /nfs/dbraw/zinc/51/59/47/529515947.db2.gz OKULBBXPUHPBHR-SECBINFHSA-N -1 3 251.326 1.844 10 0 CDAEHM COC(=O)c1occc1C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000594859472 342964753 /nfs/dbraw/zinc/96/47/53/342964753.db2.gz DZXQQWJPVJZMEO-UHFFFAOYSA-N -1 3 299.304 1.446 10 0 CDAEHM O=C(NN=c1cccn[n-]1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000077032167 342326751 /nfs/dbraw/zinc/32/67/51/342326751.db2.gz GPGLJBQXNHILQK-NSHDSACASA-N -1 3 290.710 1.577 10 0 CDAEHM COCc1ccc(NC(=O)c2cnn[n-]2)cc1OC ZINC000629492839 362105411 /nfs/dbraw/zinc/10/54/11/362105411.db2.gz RIGFCIOXGZYWGF-UHFFFAOYSA-N -1 3 262.269 1.212 10 0 CDAEHM COCc1ccc(NC(=O)c2c[n-]nn2)cc1OC ZINC000629492839 362105413 /nfs/dbraw/zinc/10/54/13/362105413.db2.gz RIGFCIOXGZYWGF-UHFFFAOYSA-N -1 3 262.269 1.212 10 0 CDAEHM COCc1ccc(NC(=O)c2cn[n-]n2)cc1OC ZINC000629492839 362105414 /nfs/dbraw/zinc/10/54/14/362105414.db2.gz RIGFCIOXGZYWGF-UHFFFAOYSA-N -1 3 262.269 1.212 10 0 CDAEHM Cc1cnc(C(=O)N2CCN3CCC2CC3)c([O-])c1 ZINC000329918945 362091981 /nfs/dbraw/zinc/09/19/81/362091981.db2.gz ALTBJTRKCKAIDO-UHFFFAOYSA-N -1 3 261.325 1.016 10 0 CDAEHM CCc1cc(=O)[n-]c(CN[C@](C)(CCF)C(=O)OC)n1 ZINC000595776832 343149219 /nfs/dbraw/zinc/14/92/19/343149219.db2.gz TZUCGUHKEOMGCA-CYBMUJFWSA-N -1 3 285.319 1.126 10 0 CDAEHM Cn1ncc2c1nc(CN1C[C@@H]3CCCC[C@@]31C)[n-]c2=O ZINC000626104022 342338834 /nfs/dbraw/zinc/33/88/34/342338834.db2.gz BEUIEYOVXQNWLH-BONVTDFDSA-N -1 3 287.367 1.833 10 0 CDAEHM Cc1cc(C[C@H](C)[N-]S(=O)(=O)c2ccc(C)o2)[nH]n1 ZINC000632395859 365717338 /nfs/dbraw/zinc/71/73/38/365717338.db2.gz WDQOBTYFGHGOLI-VIFPVBQESA-N -1 3 283.353 1.529 10 0 CDAEHM Cc1cc(C)cc(-c2cc(=NC(=O)C3(C(N)=O)CC3)[nH][n-]2)c1 ZINC000600983296 342424911 /nfs/dbraw/zinc/42/49/11/342424911.db2.gz SQURLUZCLRIULB-UHFFFAOYSA-N -1 3 298.346 1.319 10 0 CDAEHM COC(=O)CN(Cc1nc(C)ccc1[O-])C1CCOCC1 ZINC000093763565 342426176 /nfs/dbraw/zinc/42/61/76/342426176.db2.gz UOODDZSZMUKJQV-UHFFFAOYSA-N -1 3 294.351 1.250 10 0 CDAEHM CCCCN(C)[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC000643871650 362183132 /nfs/dbraw/zinc/18/31/32/362183132.db2.gz CZRWSBWPIAAVAZ-NSHDSACASA-N -1 3 256.346 1.184 10 0 CDAEHM COc1ccc([C@H]2C[C@H](C(=O)[O-])CN2C)cc1OC ZINC000257798329 342442690 /nfs/dbraw/zinc/44/26/90/342442690.db2.gz WCXQJMGMFLLSTB-WDEREUQCSA-N -1 3 265.309 1.781 10 0 CDAEHM O=C(Nc1cccc2n[n-]nc21)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000640380947 362229115 /nfs/dbraw/zinc/22/91/15/362229115.db2.gz ZQNCJIOVVGMRGQ-NYRNMGCKSA-N -1 3 258.281 1.321 10 0 CDAEHM COC(=O)c1cc(C(=O)[N-]c2nocc2C)c(C)o1 ZINC000597415565 343529013 /nfs/dbraw/zinc/52/90/13/343529013.db2.gz XUJSJSUGOJVCBR-UHFFFAOYSA-N -1 3 264.237 1.345 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)[C@@H]2CC[C@@H](OC)C2)[n-]1 ZINC000597565720 343573526 /nfs/dbraw/zinc/57/35/26/343573526.db2.gz XSHWSJRFELHBGQ-RKDXNWHRSA-N -1 3 281.312 1.340 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)[C@@H]2CC[C@@H](OC)C2)c[n-]1 ZINC000597565720 343573527 /nfs/dbraw/zinc/57/35/27/343573527.db2.gz XSHWSJRFELHBGQ-RKDXNWHRSA-N -1 3 281.312 1.340 10 0 CDAEHM CCc1ccc(C(=O)N2CC3CC2(C(=O)OC)C3)c([O-])c1 ZINC000598063412 343700496 /nfs/dbraw/zinc/70/04/96/343700496.db2.gz ZHEXUIHDZUGWIY-UHFFFAOYSA-N -1 3 289.331 1.732 10 0 CDAEHM COC(=O)CCCCCNC(=O)c1cc(F)c[n-]c1=O ZINC000598627301 343848139 /nfs/dbraw/zinc/84/81/39/343848139.db2.gz PPIJQYVDFXMFCR-UHFFFAOYSA-N -1 3 284.287 1.390 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H]1CCC1(C)C ZINC000612091246 347013850 /nfs/dbraw/zinc/01/38/50/347013850.db2.gz ZRFXZGVSTPYMQE-SSDOTTSWSA-N -1 3 251.286 1.571 10 0 CDAEHM C/C=C/C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1 ZINC000599475192 344062546 /nfs/dbraw/zinc/06/25/46/344062546.db2.gz IZPAICFMKAEEHI-ONEGZZNKSA-N -1 3 287.312 1.467 10 0 CDAEHM C/C=C\C[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000599475485 344063598 /nfs/dbraw/zinc/06/35/98/344063598.db2.gz QJZKFZQXWASGIF-ARJAWSKDSA-N -1 3 287.312 1.467 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)[C@@H]2C[C@H](C)O[C@H]2C)[n-]1 ZINC000601530477 344190104 /nfs/dbraw/zinc/19/01/04/344190104.db2.gz URUPFPRGSZEPFD-XHNCKOQMSA-N -1 3 281.312 1.338 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)[C@@H]2C[C@H](C)O[C@H]2C)c[n-]1 ZINC000601530477 344190105 /nfs/dbraw/zinc/19/01/05/344190105.db2.gz URUPFPRGSZEPFD-XHNCKOQMSA-N -1 3 281.312 1.338 10 0 CDAEHM COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)c2nc[n-]n2)cc1 ZINC000601833417 344267753 /nfs/dbraw/zinc/26/77/53/344267753.db2.gz JUAIXWKSHLKACF-WDEREUQCSA-N -1 3 286.291 1.334 10 0 CDAEHM O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1c[n-]nn1 ZINC000536808023 282344179 /nfs/dbraw/zinc/34/41/79/282344179.db2.gz VSVBOULPLQTIEH-WCQYABFASA-N -1 3 272.308 1.312 10 0 CDAEHM O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1cnn[n-]1 ZINC000536808023 282344182 /nfs/dbraw/zinc/34/41/82/282344182.db2.gz VSVBOULPLQTIEH-WCQYABFASA-N -1 3 272.308 1.312 10 0 CDAEHM O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1cn[n-]n1 ZINC000536808023 282344185 /nfs/dbraw/zinc/34/41/85/282344185.db2.gz VSVBOULPLQTIEH-WCQYABFASA-N -1 3 272.308 1.312 10 0 CDAEHM CN(C)[C@@H]1CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000147682138 362436442 /nfs/dbraw/zinc/43/64/42/362436442.db2.gz UOKJLNSLTBPQNS-SNVBAGLBSA-N -1 3 252.289 1.307 10 0 CDAEHM O=C(Nc1ccc2nccn2c1)c1cncc([O-])c1 ZINC000606533105 345022534 /nfs/dbraw/zinc/02/25/34/345022534.db2.gz DYHRSSNHMJKWIL-UHFFFAOYSA-N -1 3 254.249 1.687 10 0 CDAEHM O=C(c1ccccc1[O-])N1CC[C@@H](Cn2ccnn2)C1 ZINC000617266425 345096686 /nfs/dbraw/zinc/09/66/86/345096686.db2.gz ULKLHIRQEMVWTL-LLVKDONJSA-N -1 3 272.308 1.146 10 0 CDAEHM COc1cccc(C(=O)N[C@H]2C[C@H](C)n3ncnc32)c1[O-] ZINC000617431804 345532993 /nfs/dbraw/zinc/53/29/93/345532993.db2.gz CBQXPABINFGLES-WPRPVWTQSA-N -1 3 288.307 1.428 10 0 CDAEHM CCN=c1[n-]c(C(=O)NCCc2cnccc2C)cs1 ZINC000617661860 345901611 /nfs/dbraw/zinc/90/16/11/345901611.db2.gz URIPZRVIHJBWNV-UHFFFAOYSA-N -1 3 290.392 1.673 10 0 CDAEHM C/C=C\C[N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC000385126393 346116266 /nfs/dbraw/zinc/11/62/66/346116266.db2.gz GKCFQDITHGEQOY-ARJAWSKDSA-N -1 3 287.312 1.467 10 0 CDAEHM CCCN(CCN(C)C)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000085341364 179026013 /nfs/dbraw/zinc/02/60/13/179026013.db2.gz UZKNWDNMTIOKJP-QWHCGFSZSA-N -1 3 299.415 1.613 10 0 CDAEHM Cc1nc(-c2cc(F)cc(F)c2)[n-]c(=O)c1CCO ZINC000085403977 179053947 /nfs/dbraw/zinc/05/39/47/179053947.db2.gz RAIBZCLGHWYSGD-UHFFFAOYSA-N -1 3 266.247 1.558 10 0 CDAEHM CC[C@H](C(N)=S)S(=O)(=O)[N-]c1ccsc1 ZINC000085535521 179092394 /nfs/dbraw/zinc/09/23/94/179092394.db2.gz WXPYJIAMZMCMSE-SSDOTTSWSA-N -1 3 264.397 1.555 10 0 CDAEHM CNC(=O)c1cc(Br)c(C(F)F)[n-]c1=O ZINC000584633224 346510278 /nfs/dbraw/zinc/51/02/78/346510278.db2.gz XBTHKNAJNYEEEX-UHFFFAOYSA-N -1 3 281.056 1.847 10 0 CDAEHM N[C@@H](CCC(=O)[O-])C(=O)Nc1cc(Cl)ccc1F ZINC000085818849 179182235 /nfs/dbraw/zinc/18/22/35/179182235.db2.gz KUCLPYZRWAQUEF-QMMMGPOBSA-N -1 3 274.679 1.610 10 0 CDAEHM Cc1ccc(CN(C(=O)[C@@H](N)CCC(=O)[O-])C(C)C)o1 ZINC000085839722 179185250 /nfs/dbraw/zinc/18/52/50/179185250.db2.gz GMZXATCQYRHNSQ-LBPRGKRZSA-N -1 3 282.340 1.517 10 0 CDAEHM CCN(Cc1ccc(Cl)s1)C(=O)[C@H](N)CC(=O)[O-] ZINC000085815432 179178939 /nfs/dbraw/zinc/17/89/39/179178939.db2.gz YHOXUDYMWJRVDP-MRVPVSSYSA-N -1 3 290.772 1.552 10 0 CDAEHM Cc1ccc(NC(=O)[C@@H](N)CC(=O)[O-])c2cccnc12 ZINC000085814693 179179226 /nfs/dbraw/zinc/17/92/26/179179226.db2.gz VWUJRPVMDLLJHC-JTQLQIEISA-N -1 3 273.292 1.284 10 0 CDAEHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@@H](N)CC(=O)[O-] ZINC000085815727 179179531 /nfs/dbraw/zinc/17/95/31/179179531.db2.gz ZTNSDBGAKSGVKA-HQJQHLMTSA-N -1 3 286.278 1.286 10 0 CDAEHM Cc1cc(Cl)ccc1NC(=O)[C@@H](N)CCC(=O)[O-] ZINC000085818703 179181424 /nfs/dbraw/zinc/18/14/24/179181424.db2.gz ZNUNPBRTBHNVLZ-VIFPVBQESA-N -1 3 270.716 1.779 10 0 CDAEHM 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/nfs/dbraw/zinc/31/02/92/175310292.db2.gz KJWVKUGRNBIAMF-MRVPVSSYSA-N -1 3 281.312 1.162 10 0 CDAEHM C[C@H](CNC(=O)NC1(C(=O)[O-])CCCCC1)N(C)C ZINC000045111640 175310321 /nfs/dbraw/zinc/31/03/21/175310321.db2.gz PFOBCKUQQFQMCZ-SNVBAGLBSA-N -1 3 271.361 1.023 10 0 CDAEHM C[C@H](CNC(=O)N1c2ccccc2C[C@@H]1C(=O)[O-])N(C)C ZINC000045111669 175310438 /nfs/dbraw/zinc/31/04/38/175310438.db2.gz QPZNMTZAOCHLCJ-ZWNOBZJWSA-N -1 3 291.351 1.162 10 0 CDAEHM CCN(C[C@@](N)(C(=O)[O-])c1ccccc1)[C@@H](C)COC ZINC000045274878 175344793 /nfs/dbraw/zinc/34/47/93/175344793.db2.gz FRLQCYQWWBPJTE-WFASDCNBSA-N -1 3 280.368 1.282 10 0 CDAEHM COc1cc(=NC(=O)N2CCS[C@H](C(C)C)C2)[n-]n1C ZINC000547514695 289783018 /nfs/dbraw/zinc/78/30/18/289783018.db2.gz AABQTSHSYZSBSK-JTQLQIEISA-N -1 3 298.412 1.456 10 0 CDAEHM CCCNCC(=O)Nc1cccc(C)c1C(=O)[O-] ZINC000071171439 176051889 /nfs/dbraw/zinc/05/18/89/176051889.db2.gz WMJYDXGHVLGOGP-UHFFFAOYSA-N -1 3 250.298 1.631 10 0 CDAEHM Cc1cccc(C(=O)NCC(=O)NC(C)(C)C)c1[O-] 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ZINC000563006884 293242601 /nfs/dbraw/zinc/24/26/01/293242601.db2.gz JYELHPMEEMXSGV-ZDUSSCGKSA-N -1 3 254.289 1.810 10 0 CDAEHM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1cscn1 ZINC000563062665 293261480 /nfs/dbraw/zinc/26/14/80/293261480.db2.gz FROIUVUUYOAWSU-SNVBAGLBSA-N -1 3 292.426 1.465 10 0 CDAEHM COc1cc(=NC(=O)NC[C@@H]2C[C@H]2C(C)C)[n-]n1C ZINC000565876259 293701528 /nfs/dbraw/zinc/70/15/28/293701528.db2.gz UMZHYSCPUVBZLS-UWVGGRQHSA-N -1 3 266.345 1.264 10 0 CDAEHM Cc1noc([C@H](C)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)n1 ZINC000333241355 293973378 /nfs/dbraw/zinc/97/33/78/293973378.db2.gz ZXXGTKBSKQSYKH-CDEVMZEPSA-N -1 3 285.369 1.547 10 0 CDAEHM CC1(c2cc(=NC(=O)c3c[nH]cn3)[n-]o2)CCCC1 ZINC000570787067 294306971 /nfs/dbraw/zinc/30/69/71/294306971.db2.gz CYCGMIJVIINTFE-UHFFFAOYSA-N -1 3 260.297 1.904 10 0 CDAEHM CN(C(=O)N=c1cc2ccccn2[n-]1)[C@@H]1CCOC1 ZINC000571669452 294483066 /nfs/dbraw/zinc/48/30/66/294483066.db2.gz XFWNYDWYIKVISC-LLVKDONJSA-N -1 3 260.297 1.009 10 0 CDAEHM Cc1cc(=NC(=O)NC[C@@H](N)c2ccccc2)[n-]nc1C ZINC000415173016 301050591 /nfs/dbraw/zinc/05/05/91/301050591.db2.gz PHWANYUZLJVHLJ-CYBMUJFWSA-N -1 3 285.351 1.337 10 0 CDAEHM COCC1(CC[N-]S(=O)(=O)c2c(C)noc2C)CC1 ZINC000563620083 316344566 /nfs/dbraw/zinc/34/45/66/316344566.db2.gz JQDJAFHIRVQSCO-UHFFFAOYSA-N -1 3 288.369 1.386 10 0 CDAEHM O=S(=O)([N-][C@@H]1Cc2cccc(O)c2C1)c1cscn1 ZINC000575177493 316972673 /nfs/dbraw/zinc/97/26/73/316972673.db2.gz FWGDLIXXOREJFY-SECBINFHSA-N -1 3 296.373 1.294 10 0 CDAEHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC[C@H](OC(F)F)C1 ZINC000576001930 317057007 /nfs/dbraw/zinc/05/70/07/317057007.db2.gz MORFWDHGENPUNG-QMMMGPOBSA-N -1 3 299.277 1.513 10 0 CDAEHM NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cccc([O-])c2)C1 ZINC000182484953 323283415 /nfs/dbraw/zinc/28/34/15/323283415.db2.gz PZQOVXLBOBZMMQ-KOLCDFICSA-N -1 3 262.309 1.166 10 0 CDAEHM N[C@H](C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)C1CCC1 ZINC000399109524 323881859 /nfs/dbraw/zinc/88/18/59/323881859.db2.gz 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Cc1oc(CN(C)C[C@H]2CCCN2C)cc1C(=O)[O-] ZINC000092631875 482630285 /nfs/dbraw/zinc/63/02/85/482630285.db2.gz STOQKJWXEKTGFB-LLVKDONJSA-N -1 3 266.341 1.812 10 0 CDAEHM C[C@H](CNC(=O)c1csc(=O)[n-]1)c1ccncc1 ZINC000684287263 482740166 /nfs/dbraw/zinc/74/01/66/482740166.db2.gz JMRCPVUKUALGKI-MRVPVSSYSA-N -1 3 263.322 1.777 10 0 CDAEHM Cn1cc(Br)c(=NC(=O)[C@H]2CC23CC3)[n-]1 ZINC000335391149 482825537 /nfs/dbraw/zinc/82/55/37/482825537.db2.gz APMMQQDFMISVMR-ZCFIWIBFSA-N -1 3 270.130 1.343 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCCc2n[nH]cc2C1 ZINC000404717655 482836505 /nfs/dbraw/zinc/83/65/05/482836505.db2.gz IKDHIVWZMFYGHA-UHFFFAOYSA-N -1 3 257.293 1.704 10 0 CDAEHM Cc1nnc([N-]c2cnn(C)c2C(F)F)nc1C ZINC000681393204 482838522 /nfs/dbraw/zinc/83/85/22/482838522.db2.gz PRIJLQABLAGPGN-UHFFFAOYSA-N -1 3 254.244 1.903 10 0 CDAEHM CCc1cc(NC(=O)CNC(=O)c2cccc([O-])c2)no1 ZINC000681734202 482979632 /nfs/dbraw/zinc/97/96/32/482979632.db2.gz VBJCUACUMIBTRQ-UHFFFAOYSA-N -1 3 289.291 1.311 10 0 CDAEHM CC(C)(O)C(C)(C)NCc1nc(=O)c2sccc2[n-]1 ZINC000229164671 483134596 /nfs/dbraw/zinc/13/45/96/483134596.db2.gz ILWZBCPJIVRXKU-UHFFFAOYSA-N -1 3 281.381 1.624 10 0 CDAEHM C[C@H]1CCN(C(=O)c2cccc3[n-]nnc32)C[C@H]1F ZINC000682168170 483159098 /nfs/dbraw/zinc/15/90/98/483159098.db2.gz YALWKZUQNFOPTG-WCBMZHEXSA-N -1 3 262.288 1.778 10 0 CDAEHM C[C@H]1CCN(C(=O)c2cccc3nn[n-]c32)C[C@H]1F ZINC000682168170 483159104 /nfs/dbraw/zinc/15/91/04/483159104.db2.gz YALWKZUQNFOPTG-WCBMZHEXSA-N -1 3 262.288 1.778 10 0 CDAEHM C[C@H]1CCN(C(=O)c2cccc3n[n-]nc32)C[C@H]1F ZINC000682168170 483159108 /nfs/dbraw/zinc/15/91/08/483159108.db2.gz YALWKZUQNFOPTG-WCBMZHEXSA-N -1 3 262.288 1.778 10 0 CDAEHM COc1nnc(NC(=O)c2cc3cccc(OC)c3o2)[n-]1 ZINC000679319776 483225965 /nfs/dbraw/zinc/22/59/65/483225965.db2.gz FAMCIBCKKCETKT-UHFFFAOYSA-N -1 3 288.263 1.820 10 0 CDAEHM COc1nc(NC(=O)c2cc3cccc(OC)c3o2)n[n-]1 ZINC000679319776 483225972 /nfs/dbraw/zinc/22/59/72/483225972.db2.gz FAMCIBCKKCETKT-UHFFFAOYSA-N -1 3 288.263 1.820 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cc3cccc(OC)c3o2)n1 ZINC000679319776 483225977 /nfs/dbraw/zinc/22/59/77/483225977.db2.gz FAMCIBCKKCETKT-UHFFFAOYSA-N -1 3 288.263 1.820 10 0 CDAEHM COc1nnc([N-]C(=O)c2c(C)noc2C)s1 ZINC000682679661 483326391 /nfs/dbraw/zinc/32/63/91/483326391.db2.gz DSZDUWHARKOHTI-UHFFFAOYSA-N -1 3 254.271 1.404 10 0 CDAEHM CCCc1nsc([N-]C(=O)c2cccc(C(N)=O)n2)n1 ZINC000679792236 483437618 /nfs/dbraw/zinc/43/76/18/483437618.db2.gz PUCZRKQOFTWODL-UHFFFAOYSA-N -1 3 291.336 1.237 10 0 CDAEHM N[C@@H](CC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000062135750 1161494899 /nfs/dbraw/zinc/49/48/99/1161494899.db2.gz GPVSRSOUUACFLB-NEPJUHHUSA-N -1 3 262.309 1.010 10 0 CDAEHM CC(C)[C@](C)(CC(=O)N1CCC[C@@H]1CN(C)C)C(=O)[O-] ZINC000061643240 519829099 /nfs/dbraw/zinc/82/90/99/519829099.db2.gz DSWQZYAOROOZKD-DOMZBBRYSA-N -1 3 284.400 1.676 10 0 CDAEHM CC(C)[C@](C)(CC(=O)N[C@@H](C)CN1CCCC1)C(=O)[O-] ZINC000049153926 519829131 /nfs/dbraw/zinc/82/91/31/519829131.db2.gz HVNXWFJZMOFMHC-WFASDCNBSA-N -1 3 284.400 1.724 10 0 CDAEHM CCN(C(=O)C[C@@H](N)c1ccccc1)[C@H](C)CC(=O)[O-] ZINC000061212593 519922391 /nfs/dbraw/zinc/92/23/91/519922391.db2.gz DBYACPQHLJVIAL-DGCLKSJQSA-N -1 3 278.352 1.788 10 0 CDAEHM CCCN[C@@H]1COc2cc(O[C@H](C)C(=O)[O-])ccc21 ZINC000062805021 520028273 /nfs/dbraw/zinc/02/82/73/520028273.db2.gz LGHBGDIMIPJBIE-BXKDBHETSA-N -1 3 265.309 1.972 10 0 CDAEHM CCN(CC(=O)N(C)C1=CCCC1)C[C@@H](C)C(=O)[O-] ZINC000061218957 520302673 /nfs/dbraw/zinc/30/26/73/520302673.db2.gz HSWCWSCIAQNVIE-LLVKDONJSA-N -1 3 268.357 1.555 10 0 CDAEHM CCCCC[C@H](C)NC(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000061146060 520303843 /nfs/dbraw/zinc/30/38/43/520303843.db2.gz QSZWRDHRDPIUTH-ZDUSSCGKSA-N -1 3 299.415 1.757 10 0 CDAEHM CCO[C@H](CCN1CCN([C@H](C)CC)CC1)C(=O)[O-] ZINC000062756725 520503198 /nfs/dbraw/zinc/50/31/98/520503198.db2.gz RWCMVMZIQLXPPW-CHWSQXEVSA-N -1 3 272.389 1.282 10 0 CDAEHM CC1(C)COCCN1C[C@H](C(=O)[O-])c1ccccc1 ZINC000062755076 520504708 /nfs/dbraw/zinc/50/47/08/520504708.db2.gz FGVBJONLVJBMFM-ZDUSSCGKSA-N -1 3 263.337 1.966 10 0 CDAEHM CCCC[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000155496550 521108482 /nfs/dbraw/zinc/10/84/82/521108482.db2.gz FIVFMCBPDPIJGW-VWYCJHECSA-N -1 3 281.356 1.060 10 0 CDAEHM CCC[C@]1(C(=O)[O-])CCCN(C(=O)[C@H](N)CC(C)C)C1 ZINC000062871215 521302240 /nfs/dbraw/zinc/30/22/40/521302240.db2.gz JVGCDHVUIHNLDS-DOMZBBRYSA-N -1 3 284.400 1.853 10 0 CDAEHM CCCn1c(=O)[n-]nc1Sc1nsnc1Cl ZINC000061596002 521616070 /nfs/dbraw/zinc/61/60/70/521616070.db2.gz XAKUDLRAYPEEPU-UHFFFAOYSA-N -1 3 277.762 1.638 10 0 CDAEHM CCN1CCN(CC(=O)Nc2cccc(Cl)c2[O-])CC1 ZINC000340318294 521676449 /nfs/dbraw/zinc/67/64/49/521676449.db2.gz ZXDIMHHTBALEOP-UHFFFAOYSA-N -1 3 297.786 1.622 10 0 CDAEHM CCc1ccc(C(=O)N2CC(F)(F)C[C@@H]2CO)c([O-])c1 ZINC000364952067 523882834 /nfs/dbraw/zinc/88/28/34/523882834.db2.gz PBAURMUZJTUQHW-SNVBAGLBSA-N -1 3 285.290 1.797 10 0 CDAEHM CC[C@H](C)C[N-]S(=O)(=O)c1ccc(CN)s1 ZINC000054489428 523884597 /nfs/dbraw/zinc/88/45/97/523884597.db2.gz QCLVDGNJOPOPLW-QMMMGPOBSA-N -1 3 262.400 1.531 10 0 CDAEHM COCCNCc1ccc(O[C@@H](C)C(=O)[O-])c(OC)c1 ZINC000062731978 523952585 /nfs/dbraw/zinc/95/25/85/523952585.db2.gz XZMNVGTZPVKYFA-JTQLQIEISA-N -1 3 283.324 1.283 10 0 CDAEHM C[C@H]1C[C@H]1[N-]S(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000052272224 524964726 /nfs/dbraw/zinc/96/47/26/524964726.db2.gz GSPGJJLZFNGQQV-YLWLKBPMSA-N -1 3 278.736 1.748 10 0 CDAEHM C[C@@H](Cn1ccc(=O)[n-]c1=S)N1CCCCC1 ZINC000052313306 524948044 /nfs/dbraw/zinc/94/80/44/524948044.db2.gz USSSAAARCAKAKQ-JTQLQIEISA-N -1 3 253.371 1.780 10 0 CDAEHM C[C@@H]1C[C@@H](C)CCN1C(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000061146380 525199041 /nfs/dbraw/zinc/19/90/41/525199041.db2.gz ZIAHUPVKUCDRMJ-QWHCGFSZSA-N -1 3 297.399 1.319 10 0 CDAEHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccc(=O)[nH]c2)s1 ZINC000049188693 525738549 /nfs/dbraw/zinc/73/85/49/525738549.db2.gz MNYNNQOOCDDOQF-SECBINFHSA-N -1 3 298.389 1.784 10 0 CDAEHM Cc1cc(=O)[n-]c(SCc2ccnc(C(=N)N)c2)n1 ZINC000068762879 526121645 /nfs/dbraw/zinc/12/16/45/526121645.db2.gz FOOLYZXCQAVKPV-UHFFFAOYSA-N -1 3 275.337 1.050 10 0 CDAEHM O=C([O-])[C@]1(NCc2ccc(OC(F)F)cc2)CCOC1 ZINC000340676533 526338694 /nfs/dbraw/zinc/33/86/94/526338694.db2.gz QDBPJTPEQBQESP-ZDUSSCGKSA-N -1 3 287.262 1.621 10 0 CDAEHM Cc1nnc(N[C@H]2CCN(C3CC3)C2)c(C(=O)[O-])c1C ZINC000054530938 526375483 /nfs/dbraw/zinc/37/54/83/526375483.db2.gz XWDGKDYJHWSRNA-JTQLQIEISA-N -1 3 276.340 1.440 10 0 CDAEHM O=C([O-])c1nccnc1OCCN1CCCCC1 ZINC000054553594 526409349 /nfs/dbraw/zinc/40/93/49/526409349.db2.gz NCXVIPRAAKMWRN-UHFFFAOYSA-N -1 3 251.286 1.040 10 0 CDAEHM NC(=O)c1ccccc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000050510839 527089427 /nfs/dbraw/zinc/08/94/27/527089427.db2.gz QEYXGWWAPJWUHL-AWEZNQCLSA-N -1 3 284.315 1.701 10 0 CDAEHM O=S1(=O)CCC[C@@H](NCc2ccc([O-])c(Cl)c2)C1 ZINC000069141823 527301085 /nfs/dbraw/zinc/30/10/85/527301085.db2.gz HQLVVQKRVIHOAG-SNVBAGLBSA-N -1 3 289.784 1.712 10 0 CDAEHM CCOCCO[C@H](C)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352983683 528824605 /nfs/dbraw/zinc/82/46/05/528824605.db2.gz IYGOJVLVPAMBKQ-ZYHUDNBSSA-N -1 3 297.355 1.063 10 0 CDAEHM C[C@H](C1CC1)n1[n-]ccc1=NC(=O)COC(=O)[C@H]1C[C@H]1C ZINC000744488521 574447283 /nfs/dbraw/zinc/44/72/83/574447283.db2.gz CHKIEDTZZQPJOR-FOGDFJRCSA-N -1 3 291.351 1.414 10 0 CDAEHM O=C(OCc1cc(=O)c([O-])co1)c1cnn2c1CCCC2 ZINC000750633317 574603904 /nfs/dbraw/zinc/60/39/04/574603904.db2.gz QJYRMYXMPJBQTA-UHFFFAOYSA-N -1 3 290.275 1.235 10 0 CDAEHM CCC[C@](C)(NCc1nc(C)cc(=O)[n-]1)C(=O)OC ZINC000761869821 574990592 /nfs/dbraw/zinc/99/05/92/574990592.db2.gz DCUQGHVMTASWAC-ZDUSSCGKSA-N -1 3 267.329 1.312 10 0 CDAEHM C[C@@H](OC(=O)CN1CC(=O)[N-]C1=O)c1ccc(Cl)cc1 ZINC000732357185 575088296 /nfs/dbraw/zinc/08/82/96/575088296.db2.gz MWOWOKSQDVQCFI-MRVPVSSYSA-N -1 3 296.710 1.496 10 0 CDAEHM O=C(OCc1cnn(-c2ccccc2)n1)c1cncc([O-])c1 ZINC000732393895 575088586 /nfs/dbraw/zinc/08/85/86/575088586.db2.gz VALRLCGUUFIOMA-UHFFFAOYSA-N -1 3 296.286 1.725 10 0 CDAEHM O=C(O[C@@H]1CCCNC1=O)c1cc(Cl)c(Cl)[n-]1 ZINC000767276931 576175053 /nfs/dbraw/zinc/17/50/53/576175053.db2.gz LIVOVGYWHCOYOL-SSDOTTSWSA-N -1 3 277.107 1.757 10 0 CDAEHM CCc1cccc(C(=O)N2CCOC[C@@H]2CCO)c1[O-] ZINC000770134799 575425495 /nfs/dbraw/zinc/42/54/95/575425495.db2.gz OPQFYLKPTRVUGY-LBPRGKRZSA-N -1 3 279.336 1.178 10 0 CDAEHM C[C@@H](COC(=O)CC[C@H]1NC(=O)[N-]C1=O)c1ccccc1 ZINC000735129628 575432840 /nfs/dbraw/zinc/43/28/40/575432840.db2.gz PDAYQDMHWQGCAB-CMPLNLGQSA-N -1 3 290.319 1.322 10 0 CDAEHM Cc1ccc(CCC(=O)[N-]OC2CCOCC2)o1 ZINC000772717924 575742333 /nfs/dbraw/zinc/74/23/33/575742333.db2.gz ISOWJPCVVDDWME-UHFFFAOYSA-N -1 3 253.298 1.747 10 0 CDAEHM Cc1cc(=O)[n-]c(CN[C@H](CCO)c2ccco2)n1 ZINC000769223207 576338867 /nfs/dbraw/zinc/33/88/67/576338867.db2.gz SEFMXNZJNNYEPE-SNVBAGLBSA-N -1 3 263.297 1.297 10 0 CDAEHM COc1ccc([O-])c(C(=O)Nc2nc3cc[nH]cc-3n2)c1 ZINC000760703844 576503694 /nfs/dbraw/zinc/50/36/94/576503694.db2.gz UNHQAERLEYHDFA-UHFFFAOYSA-N -1 3 284.275 1.924 10 0 CDAEHM CC(C)(C)n1cnc([N-]C(=O)c2cncc(Cl)n2)n1 ZINC000760868689 576519192 /nfs/dbraw/zinc/51/91/92/576519192.db2.gz WCTRIHGARXQIOH-UHFFFAOYSA-N -1 3 280.719 1.729 10 0 CDAEHM Cc1cc(=O)[n-]c(CSCC(=O)NC(C)(C)C)n1 ZINC000763216191 576722879 /nfs/dbraw/zinc/72/28/79/576722879.db2.gz OSDQEFJQDWIQRF-UHFFFAOYSA-N -1 3 269.370 1.639 10 0 CDAEHM Cc1ccnc(C2CCN(Cc3nc(C)cc(=O)[n-]3)CC2)n1 ZINC000755220472 576936506 /nfs/dbraw/zinc/93/65/06/576936506.db2.gz BOWIMQKJHFSBAU-UHFFFAOYSA-N -1 3 299.378 1.969 10 0 CDAEHM CCN(CC(=O)NC)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000755317863 576939808 /nfs/dbraw/zinc/93/98/08/576939808.db2.gz VFAZKDCTLVXXEV-UHFFFAOYSA-N -1 3 290.363 1.479 10 0 CDAEHM CCNC(=O)CCC(=O)[N-]OCc1ccc(F)cc1 ZINC000757609718 577045568 /nfs/dbraw/zinc/04/55/68/577045568.db2.gz AGTGODXZHNMXAD-UHFFFAOYSA-N -1 3 268.288 1.290 10 0 CDAEHM CN(CC(=O)[N-]OCc1ccc(F)cc1)[C@@H]1CCSC1 ZINC000757613451 577046052 /nfs/dbraw/zinc/04/60/52/577046052.db2.gz RSEFLJQWDKIOAQ-CYBMUJFWSA-N -1 3 298.383 1.811 10 0 CDAEHM Cn1ccc(S(=O)(=O)[N-]CC[C@H]2CC2(Cl)Cl)n1 ZINC000856751550 617665327 /nfs/dbraw/zinc/66/53/27/617665327.db2.gz BAZFHYNMBLZXPP-ZETCQYMHSA-N -1 3 298.195 1.282 10 0 CDAEHM CC[C@]1(C(=O)[O-])CCCN(Cc2ccn(C)n2)C1 ZINC000211852833 618103252 /nfs/dbraw/zinc/10/32/52/618103252.db2.gz CMFMSUNAGAUHHS-ZDUSSCGKSA-N -1 3 251.330 1.497 10 0 CDAEHM O=C([O-])[C@]1(O)CCN(C/C=C/c2ccc(F)cc2)C1 ZINC000901901963 618353041 /nfs/dbraw/zinc/35/30/41/618353041.db2.gz LAYOJIHKRVOPBQ-YUKKFKLSSA-N -1 3 265.284 1.360 10 0 CDAEHM CC(C)N1CCC[C@@H]1C(=O)NCC(C)(C)CC(=O)[O-] ZINC000910830481 618542734 /nfs/dbraw/zinc/54/27/34/618542734.db2.gz ACUKAYIZHZLZEF-LLVKDONJSA-N -1 3 270.373 1.476 10 0 CDAEHM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000866899866 619137345 /nfs/dbraw/zinc/13/73/45/619137345.db2.gz XOHWFIFOAUDBHD-LMLFDSFASA-N -1 3 273.336 1.359 10 0 CDAEHM C[C@@H](CCC(=O)[O-])NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000909452674 619326773 /nfs/dbraw/zinc/32/67/73/619326773.db2.gz IVTATLLNXLIGRB-GARJFASQSA-N -1 3 256.346 1.229 10 0 CDAEHM CCOC(=O)c1nc([C@H](C)NCc2ccc(CC)o2)n[n-]1 ZINC000895235918 619475816 /nfs/dbraw/zinc/47/58/16/619475816.db2.gz OYHCRLJLZPGFBC-VIFPVBQESA-N -1 3 292.339 1.988 10 0 CDAEHM CCOC(=O)c1nnc([C@H](C)NCc2ccc(CC)o2)[n-]1 ZINC000895235918 619475823 /nfs/dbraw/zinc/47/58/23/619475823.db2.gz OYHCRLJLZPGFBC-VIFPVBQESA-N -1 3 292.339 1.988 10 0 CDAEHM CCOC(=O)c1n[n-]c([C@H](C)NCc2ccc(CC)o2)n1 ZINC000895235918 619475826 /nfs/dbraw/zinc/47/58/26/619475826.db2.gz OYHCRLJLZPGFBC-VIFPVBQESA-N -1 3 292.339 1.988 10 0 CDAEHM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OCc1ccccn1 ZINC000909520385 619620062 /nfs/dbraw/zinc/62/00/62/619620062.db2.gz PNVSLQDFYDLSHH-NWDGAFQWSA-N -1 3 278.308 1.219 10 0 CDAEHM CCC(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000897565849 620999796 /nfs/dbraw/zinc/99/97/96/620999796.db2.gz XNYDWHKNUXLUMB-UHFFFAOYSA-N -1 3 274.328 1.428 10 0 CDAEHM CCC(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000897565849 620999798 /nfs/dbraw/zinc/99/97/98/620999798.db2.gz XNYDWHKNUXLUMB-UHFFFAOYSA-N -1 3 274.328 1.428 10 0 CDAEHM C[C@H]1CCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000897655668 621052508 /nfs/dbraw/zinc/05/25/08/621052508.db2.gz SFKSTGUPQMIOOO-VHSXEESVSA-N -1 3 286.339 1.428 10 0 CDAEHM C[C@H]1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000897655668 621052512 /nfs/dbraw/zinc/05/25/12/621052512.db2.gz SFKSTGUPQMIOOO-VHSXEESVSA-N -1 3 286.339 1.428 10 0 CDAEHM CC[C@@H](OC)C(=O)Nc1[n-]nc2cc(C)n(CC)c(=O)c21 ZINC000898027150 621295780 /nfs/dbraw/zinc/29/57/80/621295780.db2.gz CFMBOCOZPORAKE-SNVBAGLBSA-N -1 3 292.339 1.416 10 0 CDAEHM CC(=O)CCCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898205323 621361829 /nfs/dbraw/zinc/36/18/29/621361829.db2.gz MUJNGDKVIPAELG-JTQLQIEISA-N -1 3 265.313 1.191 10 0 CDAEHM Cc1occc1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898205725 621362999 /nfs/dbraw/zinc/36/29/99/621362999.db2.gz RIHYLDIMIUSZMG-SECBINFHSA-N -1 3 261.281 1.646 10 0 CDAEHM 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/nfs/dbraw/zinc/13/47/55/732134755.db2.gz CJPSUBDVKGODTH-MRVPVSSYSA-N -1 3 272.351 1.646 10 0 CDAEHM CC1(C)CC[C@@H](CNC(=O)NN=c2ccc(Cl)n[n-]2)O1 ZINC000188678014 732139659 /nfs/dbraw/zinc/13/96/59/732139659.db2.gz HEJMTFFCKMFWHQ-QMMMGPOBSA-N -1 3 299.762 1.714 10 0 CDAEHM CC(C)[C@@H](CO)O[N-]C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000836887874 732212958 /nfs/dbraw/zinc/21/29/58/732212958.db2.gz HGWLJCXGCYBYSS-BWZBUEFSSA-N -1 3 255.236 1.250 10 0 CDAEHM C[C@@H](CN(C)[C@H]1CCN(C)C1=O)C(=O)c1ccc([O-])cc1 ZINC000929685745 732246117 /nfs/dbraw/zinc/24/61/17/732246117.db2.gz BUTKRHRNTUIBAL-FZMZJTMJSA-N -1 3 290.363 1.374 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)[C@H](C)O ZINC000344916712 732247829 /nfs/dbraw/zinc/24/78/29/732247829.db2.gz PZIZOXWEWZQKND-RQJHMYQMSA-N -1 3 265.281 1.012 10 0 CDAEHM CC[C@H](C[C@H](C)O)NC(=O)c1ccc(C)cc1[O-] ZINC000716881421 732318133 /nfs/dbraw/zinc/31/81/33/732318133.db2.gz VQPBVMARQOENFD-WDEREUQCSA-N -1 3 251.326 1.980 10 0 CDAEHM Nc1ccc(C(=O)N2CC[C@H]3CSC[C@@H]3C2)c([O-])c1 ZINC000870980658 732319973 /nfs/dbraw/zinc/31/99/73/732319973.db2.gz AJQYUMKOSUUENP-UWVGGRQHSA-N -1 3 278.377 1.800 10 0 CDAEHM Nc1ccc(C(=O)N2CC[C@]3(C2)CCCOC3)c([O-])c1 ZINC000852915456 732348117 /nfs/dbraw/zinc/34/81/17/732348117.db2.gz WLPLAYIAZKMOTQ-HNNXBMFYSA-N -1 3 276.336 1.617 10 0 CDAEHM O=C(Nc1ccccc1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000929096735 732539839 /nfs/dbraw/zinc/53/98/39/732539839.db2.gz HLAXFUAERFYDAV-GFCCVEGCSA-N -1 3 299.334 1.583 10 0 CDAEHM CC(C)Oc1ccc(C(=O)[N-]N2CN=NC2=O)c(Cl)c1 ZINC000839716752 732776146 /nfs/dbraw/zinc/77/61/46/732776146.db2.gz FYRAKLGYVKNZHC-UHFFFAOYSA-N -1 3 296.714 1.808 10 0 CDAEHM O=C(CCc1ccc2c(c1)OCCO2)[N-]OCC1CC1 ZINC000817324526 732800710 /nfs/dbraw/zinc/80/07/10/732800710.db2.gz GKZQSWNCJHBBCC-UHFFFAOYSA-N -1 3 277.320 1.848 10 0 CDAEHM CC(C)c1n[nH]cc1C(=O)[N-]N1CCc2ccccc2C1=O ZINC000867278953 732808626 /nfs/dbraw/zinc/80/86/26/732808626.db2.gz MWRWKFVRTHVDAJ-UHFFFAOYSA-N -1 3 298.346 1.876 10 0 CDAEHM Cn1ccc(S(=O)(=O)[N-]C(C)(C)/C=C\Cl)n1 ZINC000921513854 732837934 /nfs/dbraw/zinc/83/79/34/732837934.db2.gz SGCSKYGFKQZFKZ-WAYWQWQTSA-N -1 3 263.750 1.230 10 0 CDAEHM O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CCc2nc[n-]c(=O)c2C1 ZINC000935033565 732873103 /nfs/dbraw/zinc/87/31/03/732873103.db2.gz UMYGTTGATKUKBO-SDDRHHMPSA-N -1 3 287.363 1.893 10 0 CDAEHM C=C[C@H](C)OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000187592947 732891297 /nfs/dbraw/zinc/89/12/97/732891297.db2.gz YOJQEONCFKBVEH-DTWKUNHWSA-N -1 3 263.359 1.068 10 0 CDAEHM O=C([O-])[C@H](C1CC1)N1CCS[C@@H](C(F)(F)F)C1 ZINC000721391653 732907278 /nfs/dbraw/zinc/90/72/78/732907278.db2.gz UNPAZXFSOMCKGK-SFYZADRCSA-N -1 3 269.288 1.829 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccnn1C ZINC000867855461 732949000 /nfs/dbraw/zinc/94/90/00/732949000.db2.gz CFOLLAJUUFEZSD-ZETCQYMHSA-N -1 3 284.341 1.064 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-][C@H](C)c2ccnn2C)s1 ZINC000867856918 733010014 /nfs/dbraw/zinc/01/00/14/733010014.db2.gz ZHQSJNXOVHOKSA-SSDOTTSWSA-N -1 3 286.382 1.225 10 0 CDAEHM CC1(C)CO[C@@H](COC(=O)c2cccc3nn[n-]c32)C1 ZINC000869477564 733036538 /nfs/dbraw/zinc/03/65/38/733036538.db2.gz BNECUTQEOZAFQO-SECBINFHSA-N -1 3 275.308 1.930 10 0 CDAEHM CC1(C)CO[C@@H](COC(=O)c2cccc3[n-]nnc32)C1 ZINC000869477564 733036541 /nfs/dbraw/zinc/03/65/41/733036541.db2.gz BNECUTQEOZAFQO-SECBINFHSA-N -1 3 275.308 1.930 10 0 CDAEHM CC1(C)CO[C@@H](COC(=O)c2cccc3n[n-]nc32)C1 ZINC000869477564 733036546 /nfs/dbraw/zinc/03/65/46/733036546.db2.gz BNECUTQEOZAFQO-SECBINFHSA-N -1 3 275.308 1.930 10 0 CDAEHM C[C@@H]1CCC[C@H](CC[N-]S(=O)(=O)N=S(C)(C)=O)C1 ZINC000866797998 733039928 /nfs/dbraw/zinc/03/99/28/733039928.db2.gz XGQBEYGZGWLMMN-GHMZBOCLSA-N -1 3 296.458 1.765 10 0 CDAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C1(C2CCC2)CCC1 ZINC000867386939 733048895 /nfs/dbraw/zinc/04/88/95/733048895.db2.gz QAZCUWQUJFKBBU-QGZVFWFLSA-N -1 3 294.442 1.661 10 0 CDAEHM O=C(Nc1cc(F)ccc1[O-])c1coc(CO)c1 ZINC001610905804 1165475719 /nfs/dbraw/zinc/47/57/19/1165475719.db2.gz LHGGOLWLUYQFOY-UHFFFAOYSA-N -1 3 251.213 1.869 10 0 CDAEHM O=C(Nc1ccc[n+]([O-])c1)c1cc([O-])ccc1Cl ZINC001630548244 1166213952 /nfs/dbraw/zinc/21/39/52/1166213952.db2.gz IKGQKLRYOKFGTO-UHFFFAOYSA-N -1 3 264.668 1.931 10 0 CDAEHM CC(=O)c1cccc(NC(=O)c2nn(C)cc2C)c1[O-] ZINC001636952790 1166710410 /nfs/dbraw/zinc/71/04/10/1166710410.db2.gz JJLJDDUSNSAEAW-UHFFFAOYSA-N -1 3 273.292 1.889 10 0 CDAEHM Cc1ccc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)o1 ZINC001640604707 1167038087 /nfs/dbraw/zinc/03/80/87/1167038087.db2.gz DTBRHBIBVDECTB-UHFFFAOYSA-N -1 3 265.294 1.302 10 0 CDAEHM COCCOCCN1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001175860886 913830320 /nfs/dbraw/zinc/83/03/20/913830320.db2.gz CZYJYOCXOVJHCF-UHFFFAOYSA-N -1 3 279.340 1.038 10 0 CDAEHM O=c1[n-]c(C2CC2)nc2c1CN(Cc1ccno1)C2 ZINC001175862686 913835119 /nfs/dbraw/zinc/83/51/19/913835119.db2.gz XKPXYVHWYPKDOW-UHFFFAOYSA-N -1 3 258.281 1.563 10 0 CDAEHM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1cccnc1F ZINC000401815226 895318275 /nfs/dbraw/zinc/31/82/75/895318275.db2.gz HVDGGWKDBJLUFL-SECBINFHSA-N -1 3 290.360 1.296 10 0 CDAEHM CCCC(C)(C)C(=O)N[C@@H](C)CCNCc1n[nH]c(=O)[n-]1 ZINC001268394773 901991036 /nfs/dbraw/zinc/99/10/36/901991036.db2.gz NCLYOFIXQQUDHO-JTQLQIEISA-N -1 3 297.403 1.321 10 0 CDAEHM O=C([N-]c1nc2ccc(F)cn2n1)c1ccc(Cl)nn1 ZINC001126426217 904136965 /nfs/dbraw/zinc/13/69/65/904136965.db2.gz OYJYFYUGWAGPCG-UHFFFAOYSA-N -1 3 292.661 1.564 10 0 CDAEHM C[C@@H](NC(=O)CC1CCCC1)[C@H](C)NC(=O)c1cn[n-]n1 ZINC001486640592 921153448 /nfs/dbraw/zinc/15/34/48/921153448.db2.gz NGNGUTNAEOLLFD-ZJUUUORDSA-N -1 3 293.371 1.008 10 0 CDAEHM CC1(C)CCC[C@H](Cn2cc(Cl)c(=O)[n-]c2=O)O1 ZINC000714358125 909727088 /nfs/dbraw/zinc/72/70/88/909727088.db2.gz UUDQOKXMNNJNMD-MRVPVSSYSA-N -1 3 272.732 1.950 10 0 CDAEHM COc1cccc([O-])c1C(=O)NCC1CSC1 ZINC000697961394 909820227 /nfs/dbraw/zinc/82/02/27/909820227.db2.gz CWWYIJGMJXQISX-UHFFFAOYSA-N -1 3 253.323 1.494 10 0 CDAEHM COc1cccc(CC[N-]S(=O)(=O)c2cscn2)n1 ZINC000827331436 936587494 /nfs/dbraw/zinc/58/74/94/936587494.db2.gz AOFKZOQPHTZTDG-UHFFFAOYSA-N -1 3 299.377 1.068 10 0 CDAEHM Cc1noc(C)c1[C@H](C)NCc1nc(C)cc(=O)[n-]1 ZINC000700468536 922226960 /nfs/dbraw/zinc/22/69/60/922226960.db2.gz QGVVCRZMJVUOPQ-QMMMGPOBSA-N -1 3 262.313 1.946 10 0 CDAEHM Fc1c[n-]c(=NNC(=S)NC[C@@H]2CCCO2)c(F)c1 ZINC000840831436 936963346 /nfs/dbraw/zinc/96/33/46/936963346.db2.gz GUYSYCWTQUTECJ-QMMMGPOBSA-N -1 3 288.323 1.330 10 0 CDAEHM O=C(N1CCCc2c(=O)[n-]cnc21)C1(C(F)(F)F)CC1 ZINC000827659358 925954530 /nfs/dbraw/zinc/95/45/30/925954530.db2.gz PKFQVKAURCVIFH-UHFFFAOYSA-N -1 3 287.241 1.804 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)CC)C1CCCC1 ZINC000867363650 926105828 /nfs/dbraw/zinc/10/58/28/926105828.db2.gz VFCNDDHLLUQXEI-DIFFPNOSSA-N -1 3 296.458 1.907 10 0 CDAEHM O=C(NCc1ncccc1[O-])NCC1SCCS1 ZINC000852668632 927838047 /nfs/dbraw/zinc/83/80/47/927838047.db2.gz HRLMLOFHVDJICY-UHFFFAOYSA-N -1 3 285.394 1.393 10 0 CDAEHM CSc1nc(NC(=O)[C@H]2C[C@@]2(C)Br)n[n-]1 ZINC000858928921 928938766 /nfs/dbraw/zinc/93/87/66/928938766.db2.gz YIBMGUBMFQFPRE-SPGJFGJESA-N -1 3 291.174 1.639 10 0 CDAEHM C[C@@H]1[C@H](C)N(C(=O)c2cccc([O-])c2F)CCN1C ZINC001137893654 930466472 /nfs/dbraw/zinc/46/64/72/930466472.db2.gz CDQNVGQBTPMFBS-ZJUUUORDSA-N -1 3 266.316 1.696 10 0 CDAEHM CC(=CC(=O)NCc1cc(=O)[n-]c(=S)[nH]1)c1ccco1 ZINC001144527203 931884690 /nfs/dbraw/zinc/88/46/90/931884690.db2.gz CPANMQXFNOPQDL-YVMONPNESA-N -1 3 291.332 1.784 10 0 CDAEHM CC(C)(C)OC(=O)c1cc(NC(=O)[C@H]2CCC(=O)O2)[n-]n1 ZINC001412266382 932352481 /nfs/dbraw/zinc/35/24/81/932352481.db2.gz BFMPBUCEBBDUEP-MRVPVSSYSA-N -1 3 295.295 1.009 10 0 CDAEHM CC(C)(C)OC(=O)c1cc(NC(=O)[C@H]2CCC(=O)O2)n[n-]1 ZINC001412266382 932352488 /nfs/dbraw/zinc/35/24/88/932352488.db2.gz BFMPBUCEBBDUEP-MRVPVSSYSA-N -1 3 295.295 1.009 10 0 CDAEHM COC/C(C)=C/CN1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC000931748416 933618819 /nfs/dbraw/zinc/61/88/19/933618819.db2.gz LLJQARLAPMNCDK-UUILKARUSA-N -1 3 292.383 1.205 10 0 CDAEHM O=C([O-])c1cccc(CCNCc2cn(C3CC3)cn2)n1 ZINC001119549130 937731140 /nfs/dbraw/zinc/73/11/40/937731140.db2.gz GGYZESCCXQDMGO-UHFFFAOYSA-N -1 3 286.335 1.644 10 0 CDAEHM c1[n-][nH]c2ncnc(=NC[C@H]3C[C@H]3C3CCCC3)c1-2 ZINC001164380054 939468335 /nfs/dbraw/zinc/46/83/35/939468335.db2.gz RVTRZQSGIKFBFG-MNOVXSKESA-N -1 3 257.341 1.965 10 0 CDAEHM CC[C@H](C)C[C@@H](N)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000400770271 940855311 /nfs/dbraw/zinc/85/53/11/940855311.db2.gz LLKNYWLETWSWDQ-VHSXEESVSA-N -1 3 256.346 1.121 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(C(F)F)o1 ZINC001362089530 970872848 /nfs/dbraw/zinc/87/28/48/970872848.db2.gz LVKRBEOSUTWUHP-ZETCQYMHSA-N -1 3 285.250 1.459 10 0 CDAEHM Cn1nnc(C(=O)[N-]c2nc(-c3ccco3)cs2)n1 ZINC001264528689 944146849 /nfs/dbraw/zinc/14/68/49/944146849.db2.gz DJASVPPWZHJUNO-UHFFFAOYSA-N -1 3 276.281 1.179 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1occ2c1CCC2 ZINC001362244267 971063655 /nfs/dbraw/zinc/06/36/55/971063655.db2.gz HBICMSDTDSZRJL-JTQLQIEISA-N -1 3 275.308 1.010 10 0 CDAEHM O=C(NCCN1CCCOCC1)c1ccc(Cl)c([O-])c1 ZINC001362678767 971522511 /nfs/dbraw/zinc/52/25/11/971522511.db2.gz JQVHGAUURRCLPE-UHFFFAOYSA-N -1 3 298.770 1.498 10 0 CDAEHM COC(=O)c1occc1CNC(=O)c1ccccc1[O-] ZINC001362984153 971788339 /nfs/dbraw/zinc/78/83/39/971788339.db2.gz ORMRUDYWANHGPL-UHFFFAOYSA-N -1 3 275.260 1.702 10 0 CDAEHM COc1cccc([O-])c1C(=O)N[C@H](CO)C(F)(F)F ZINC001363032219 971827522 /nfs/dbraw/zinc/82/75/22/971827522.db2.gz VKUICISHEQLKEH-MRVPVSSYSA-N -1 3 279.214 1.054 10 0 CDAEHM Cc1nc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)co1 ZINC001363737495 953723733 /nfs/dbraw/zinc/72/37/33/953723733.db2.gz LWXOIIABEFDWAF-SCSAIBSYSA-N -1 3 289.217 1.611 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCOC[C@H]2c2cccn2C)n1 ZINC001363789628 953794364 /nfs/dbraw/zinc/79/43/64/953794364.db2.gz LPUSQRGZVAHMGY-ZDUSSCGKSA-N -1 3 288.351 1.403 10 0 CDAEHM COc1cc(CN(C)Cc2nc(C)cc(=O)[n-]2)sn1 ZINC001363829720 953876454 /nfs/dbraw/zinc/87/64/54/953876454.db2.gz GEOXHPDRAPIFHQ-UHFFFAOYSA-N -1 3 280.353 1.588 10 0 CDAEHM Cc1ccc([S@](C)(=O)=NC(=O)c2cc(=O)cc[n-]2)cc1 ZINC001364367700 954510801 /nfs/dbraw/zinc/51/08/01/954510801.db2.gz QBBUKRRKDVWHHC-FQEVSTJZSA-N -1 3 290.344 1.980 10 0 CDAEHM C/C=C(\C)C(=O)N[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001295424137 954659651 /nfs/dbraw/zinc/65/96/51/954659651.db2.gz CHDUZDMTQJWNPC-LLMHMKPQSA-N -1 3 276.336 1.593 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNc1ncnc2c1CCCC2 ZINC001364536614 954758171 /nfs/dbraw/zinc/75/81/71/954758171.db2.gz ZFVNTCWPYGCEIX-JTQLQIEISA-N -1 3 273.340 1.279 10 0 CDAEHM CCOC(=O)[C@H](CC)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001363294811 972062262 /nfs/dbraw/zinc/06/22/62/972062262.db2.gz ASQMBWICFCYUKS-LBPRGKRZSA-N -1 3 291.351 1.717 10 0 CDAEHM Cn1cc(CCNC(=O)c2cnncc2[O-])c2cccnc21 ZINC001302609373 956021198 /nfs/dbraw/zinc/02/11/98/956021198.db2.gz WQUBXYXQMSTNLB-UHFFFAOYSA-N -1 3 297.318 1.041 10 0 CDAEHM CCOc1nnc(NC(=O)c2ccc(-n3cccc3)nc2)[n-]1 ZINC001302692140 956025256 /nfs/dbraw/zinc/02/52/56/956025256.db2.gz XMSUZKRUKIPTMK-UHFFFAOYSA-N -1 3 298.306 1.641 10 0 CDAEHM CCOc1nc(NC(=O)c2ccc(-n3cccc3)nc2)n[n-]1 ZINC001302692140 956025270 /nfs/dbraw/zinc/02/52/70/956025270.db2.gz XMSUZKRUKIPTMK-UHFFFAOYSA-N -1 3 298.306 1.641 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2ccc(-n3cccc3)nc2)n1 ZINC001302692140 956025283 /nfs/dbraw/zinc/02/52/83/956025283.db2.gz XMSUZKRUKIPTMK-UHFFFAOYSA-N -1 3 298.306 1.641 10 0 CDAEHM Cc1conc1CN(C)CCNC(=O)c1ccccc1[O-] ZINC001366513098 956895365 /nfs/dbraw/zinc/89/53/65/956895365.db2.gz CBVJQSFGMZEKPN-UHFFFAOYSA-N -1 3 289.335 1.550 10 0 CDAEHM Cn1nc(CN[C@H](CCF)C(=O)[O-])c2ccccc21 ZINC001334842690 959404323 /nfs/dbraw/zinc/40/43/23/959404323.db2.gz YUCKHOJUUFJUBP-SNVBAGLBSA-N -1 3 265.288 1.476 10 0 CDAEHM COc1nnc(NC(=O)Cc2ccc(F)c(Cl)c2)[n-]1 ZINC001433821159 960652258 /nfs/dbraw/zinc/65/22/58/960652258.db2.gz FXVNGSLRAAOYTK-UHFFFAOYSA-N -1 3 284.678 1.787 10 0 CDAEHM COc1nc(NC(=O)Cc2ccc(F)c(Cl)c2)n[n-]1 ZINC001433821159 960652262 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TXMPNGKHOWKYJU-RKDXNWHRSA-N -1 3 256.327 1.167 10 0 CDAEHM COC1(CS(=O)(=O)[N-][C@@H]2C[C@H](C)O[C@@H]2C)CCCC1 ZINC000632646382 377702876 /nfs/dbraw/zinc/70/28/76/377702876.db2.gz IUWQJYPXZHOBHC-QJPTWQEYSA-N -1 3 291.413 1.431 10 0 CDAEHM COc1cccc(C(=O)N2CC[C@@H]2C(F)F)c1[O-] ZINC000633230844 378233524 /nfs/dbraw/zinc/23/35/24/378233524.db2.gz PQDPXCABVFLXKQ-MRVPVSSYSA-N -1 3 257.236 1.880 10 0 CDAEHM C[C@H](C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccncc1 ZINC000633602932 378580640 /nfs/dbraw/zinc/58/06/40/378580640.db2.gz QIDGWEWLOZPINK-GWCFXTLKSA-N -1 3 286.335 1.820 10 0 CDAEHM CC([N-]S(=O)(=O)c1ccccn1)(C1CC1)C1CC1 ZINC000660041945 412891778 /nfs/dbraw/zinc/89/17/78/412891778.db2.gz BCKSWWZOYWGBCR-UHFFFAOYSA-N -1 3 266.366 1.939 10 0 CDAEHM COCc1ncc2c(n1)CCN(C(=O)c1ccccc1[O-])C2 ZINC000633740110 378728295 /nfs/dbraw/zinc/72/82/95/378728295.db2.gz RVAUUESFSPZCIP-UHFFFAOYSA-N -1 3 299.330 1.527 10 0 CDAEHM COc1cc(C(=O)N[C@H]2CCOC[C@H]2C)cc(OC)c1[O-] ZINC000278636848 194079116 /nfs/dbraw/zinc/07/91/16/194079116.db2.gz SCSFLJLZOOUUDU-KOLCDFICSA-N -1 3 295.335 1.564 10 0 CDAEHM CO[C@@H]1CN(C(=O)c2ccc(C)c(C)c2[O-])[C@@](C)(CO)C1 ZINC000634073715 379022020 /nfs/dbraw/zinc/02/20/20/379022020.db2.gz XSQWRCNIZNCFLJ-BLLLJJGKSA-N -1 3 293.363 1.621 10 0 CDAEHM CCOCCCN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000344102234 379231741 /nfs/dbraw/zinc/23/17/41/379231741.db2.gz NTQKTMNCCYJBGT-JTQLQIEISA-N -1 3 254.334 1.116 10 0 CDAEHM CCOCCCN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000344102235 379231971 /nfs/dbraw/zinc/23/19/71/379231971.db2.gz NTQKTMNCCYJBGT-SNVBAGLBSA-N -1 3 254.334 1.116 10 0 CDAEHM O=C(N=c1cc(-c2ccccc2F)o[n-]1)c1c[nH]cn1 ZINC000448493178 250498551 /nfs/dbraw/zinc/49/85/51/250498551.db2.gz TUFUCDLNJURIGE-UHFFFAOYSA-N -1 3 272.239 1.878 10 0 CDAEHM CCOC(=O)c1csc(=NC[C@@H](C2CC2)N(C)C)[n-]1 ZINC000450316736 251219530 /nfs/dbraw/zinc/21/95/30/251219530.db2.gz ZWHRYWCXHVKKJV-NSHDSACASA-N -1 3 283.397 1.494 10 0 CDAEHM Cc1ccccc1-c1cc(=NC(=O)[C@@H](O)C2CCC2)[nH][n-]1 ZINC000450619174 251371147 /nfs/dbraw/zinc/37/11/47/251371147.db2.gz UMNWBUDHZXSYFH-HNNXBMFYSA-N -1 3 285.347 1.907 10 0 CDAEHM COC[C@](C)(O)CCN=c1[n-]cc(C(F)(F)F)s1 ZINC000450589379 251353025 /nfs/dbraw/zinc/35/30/25/251353025.db2.gz HEUAMHISXHWCIY-SECBINFHSA-N -1 3 284.303 1.783 10 0 CDAEHM C[C@@H](c1ccc(F)cc1)N1CCN(CCC(=O)[O-])CC1 ZINC000086730569 184611350 /nfs/dbraw/zinc/61/13/50/184611350.db2.gz LZGKIVOKILFVHS-LBPRGKRZSA-N -1 3 280.343 1.979 10 0 CDAEHM Oc1[n-]c(SCCO[C@H]2CC2(F)F)nc2nncc1-2 ZINC000663946750 412972900 /nfs/dbraw/zinc/97/29/00/412972900.db2.gz ZIKOAZGDVCBRIE-LURJTMIESA-N -1 3 288.279 1.575 10 0 CDAEHM c1nc([C@H](N=c2ncnc3[nH][n-]cc2-3)c2ccccc2)n[nH]1 ZINC000489910449 253017417 /nfs/dbraw/zinc/01/74/17/253017417.db2.gz MULGXIDKINUKDD-LLVKDONJSA-N -1 3 292.306 1.046 10 0 CDAEHM COc1nc(NC(=O)CC2CC(OC(C)(C)C)C2)n[n-]1 ZINC000489968163 253020103 /nfs/dbraw/zinc/02/01/03/253020103.db2.gz SPSVFLGFAWDLGZ-UHFFFAOYSA-N -1 3 282.344 1.736 10 0 CDAEHM COc1nnc(NC(=O)CC2CC(OC(C)(C)C)C2)[n-]1 ZINC000489968163 253020106 /nfs/dbraw/zinc/02/01/06/253020106.db2.gz SPSVFLGFAWDLGZ-UHFFFAOYSA-N -1 3 282.344 1.736 10 0 CDAEHM COc1n[n-]c(NC(=O)CC2CC(OC(C)(C)C)C2)n1 ZINC000489968163 253020107 /nfs/dbraw/zinc/02/01/07/253020107.db2.gz SPSVFLGFAWDLGZ-UHFFFAOYSA-N -1 3 282.344 1.736 10 0 CDAEHM CC(C)c1nsc(N2CCC[C@H]2c2nc(=N)n(C)[n-]2)n1 ZINC000663963816 412983519 /nfs/dbraw/zinc/98/35/19/412983519.db2.gz WKWOYFHDYWCMDC-QMMMGPOBSA-N -1 3 293.400 1.544 10 0 CDAEHM O=c1[n-]nc([C@H]2CCCN(CCO[C@H]3CC3(F)F)C2)o1 ZINC000660464268 413010849 /nfs/dbraw/zinc/01/08/49/413010849.db2.gz MNZSFTVHBUJHBG-IUCAKERBSA-N -1 3 289.282 1.379 10 0 CDAEHM CCn1nccc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000288347191 197055991 /nfs/dbraw/zinc/05/59/91/197055991.db2.gz IPBSBTFQFHYLSO-VIFPVBQESA-N -1 3 297.302 1.522 10 0 CDAEHM Cc1csc([N-]C(=O)c2cc(C(C)(C)N)no2)n1 ZINC000662434597 413014924 /nfs/dbraw/zinc/01/49/24/413014924.db2.gz FBOOAQAJQNMWMM-UHFFFAOYSA-N -1 3 266.326 1.886 10 0 CDAEHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCCO3)c[n-]c12 ZINC000156482298 291916523 /nfs/dbraw/zinc/91/65/23/291916523.db2.gz KKBFXXCQPCMTOQ-UHFFFAOYSA-N -1 3 276.267 1.753 10 0 CDAEHM CN1C[C@H]2CCN(C(=O)c3ccc([O-])c(F)c3)[C@@H]2C1 ZINC000646915290 390299430 /nfs/dbraw/zinc/29/94/30/390299430.db2.gz NJLSDJKYJZPUCG-ZYHUDNBSSA-N -1 3 264.300 1.307 10 0 CDAEHM CN1C[C@H]2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)[C@@H]2C1 ZINC000646940158 390301887 /nfs/dbraw/zinc/30/18/87/390301887.db2.gz ACALGNCVCDVCGV-IAQYHMDHSA-N -1 3 297.358 1.304 10 0 CDAEHM COc1ccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c([O-])c1 ZINC000646933545 390308728 /nfs/dbraw/zinc/30/87/28/390308728.db2.gz FSBYNMKMWUATLE-MFKMUULPSA-N -1 3 276.336 1.177 10 0 CDAEHM COc1ccc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c([O-])c1 ZINC000646933545 390308732 /nfs/dbraw/zinc/30/87/32/390308732.db2.gz FSBYNMKMWUATLE-MFKMUULPSA-N -1 3 276.336 1.177 10 0 CDAEHM O=C([N-]c1nc2c(s1)C(=O)CCC2)c1cnsn1 ZINC000102152609 390462361 /nfs/dbraw/zinc/46/23/61/390462361.db2.gz RWXIWUHLAFPCEF-UHFFFAOYSA-N -1 3 280.334 1.766 10 0 CDAEHM Cc1ccc([O-])c(CNc2ccc(S(N)(=O)=O)cc2)n1 ZINC000091993501 390607719 /nfs/dbraw/zinc/60/77/19/390607719.db2.gz VUXGSMOXGAKMAG-UHFFFAOYSA-N -1 3 293.348 1.355 10 0 CDAEHM Cc1nc([N-]C(=O)c2cc(-c3cccnc3)on2)n[nH]1 ZINC000103256550 390676371 /nfs/dbraw/zinc/67/63/71/390676371.db2.gz JWUYJQQQODHNQW-UHFFFAOYSA-N -1 3 270.252 1.415 10 0 CDAEHM CNC(=O)[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000335510335 390857896 /nfs/dbraw/zinc/85/78/96/390857896.db2.gz MXQXLXLNPNNKPK-LBPRGKRZSA-N -1 3 298.342 1.754 10 0 CDAEHM Cc1ccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c(C)n1 ZINC000527208539 391002386 /nfs/dbraw/zinc/00/23/86/391002386.db2.gz OQUZKLRJDSNYGB-CYBMUJFWSA-N -1 3 286.335 1.947 10 0 CDAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@@H]1CCCS1 ZINC000527208672 391003162 /nfs/dbraw/zinc/00/31/62/391003162.db2.gz DDHZYVATFLOCLB-ZJUUUORDSA-N -1 3 267.354 1.517 10 0 CDAEHM Cc1nc([N-]C(=O)c2noc3c2COCC3)cs1 ZINC000527604176 391070956 /nfs/dbraw/zinc/07/09/56/391070956.db2.gz DFVSFXCCGXCBTD-UHFFFAOYSA-N -1 3 265.294 1.765 10 0 CDAEHM CCc1ncc(C(=O)NCc2ncccc2[O-])s1 ZINC000526941491 391229936 /nfs/dbraw/zinc/22/99/36/391229936.db2.gz BGTBGARQNVNJBM-UHFFFAOYSA-N -1 3 263.322 1.736 10 0 CDAEHM CC(C)(C)OCCNC(=O)NCc1ncccc1[O-] ZINC000525916211 391414462 /nfs/dbraw/zinc/41/44/62/391414462.db2.gz FSKSXFJMBMXSDY-UHFFFAOYSA-N -1 3 267.329 1.402 10 0 CDAEHM COc1nnc(NC(=O)c2cc(NC(C)=O)ccc2C)[n-]1 ZINC000188985628 391527619 /nfs/dbraw/zinc/52/76/19/391527619.db2.gz LIDPUCNDSDWWMW-UHFFFAOYSA-N -1 3 289.295 1.332 10 0 CDAEHM COc1nc(NC(=O)c2cc(NC(C)=O)ccc2C)n[n-]1 ZINC000188985628 391527622 /nfs/dbraw/zinc/52/76/22/391527622.db2.gz LIDPUCNDSDWWMW-UHFFFAOYSA-N -1 3 289.295 1.332 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cc(NC(C)=O)ccc2C)n1 ZINC000188985628 391527623 /nfs/dbraw/zinc/52/76/23/391527623.db2.gz LIDPUCNDSDWWMW-UHFFFAOYSA-N -1 3 289.295 1.332 10 0 CDAEHM COc1cnccc1[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000189656615 391571986 /nfs/dbraw/zinc/57/19/86/391571986.db2.gz DXNBWQMDIHCKIM-SECBINFHSA-N -1 3 288.303 1.992 10 0 CDAEHM Cc1ccn(C)c1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000190115430 391600205 /nfs/dbraw/zinc/60/02/05/391600205.db2.gz POWHMKJOHWQGNL-UHFFFAOYSA-N -1 3 296.334 1.690 10 0 CDAEHM Cc1ccn(C)c1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000190115430 391600211 /nfs/dbraw/zinc/60/02/11/391600211.db2.gz POWHMKJOHWQGNL-UHFFFAOYSA-N -1 3 296.334 1.690 10 0 CDAEHM COc1cc(=NC(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)[n-]n1C ZINC000582156925 391671380 /nfs/dbraw/zinc/67/13/80/391671380.db2.gz AZHJJFFWKRTZLL-GARJFASQSA-N -1 3 280.372 1.797 10 0 CDAEHM COc1cc(=NC(=O)N2CC(C)(C)OC(C)(C)C2)[n-]n1C ZINC000525957355 391674531 /nfs/dbraw/zinc/67/45/31/391674531.db2.gz KJLOCJRIPUPHEM-UHFFFAOYSA-N -1 3 296.371 1.272 10 0 CDAEHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C)cs1 ZINC000451444333 391719283 /nfs/dbraw/zinc/71/92/83/391719283.db2.gz HXFLJFLNVZTDPC-IUCAKERBSA-N -1 3 263.384 1.758 10 0 CDAEHM C[C@@H](C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)N1CCCCCC1 ZINC000516291349 391815313 /nfs/dbraw/zinc/81/53/13/391815313.db2.gz RDWOIJJSUDUMOX-RDBSUJKOSA-N -1 3 296.411 1.820 10 0 CDAEHM COc1nnc([N-]C(=O)c2cn(C3CCC3)nn2)s1 ZINC000648366861 391818996 /nfs/dbraw/zinc/81/89/96/391818996.db2.gz ZLVZDVLPJTVNKD-UHFFFAOYSA-N -1 3 280.313 1.116 10 0 CDAEHM O=C(c1cccc2nn[n-]c21)N1CCCn2nccc21 ZINC000526113739 391834620 /nfs/dbraw/zinc/83/46/20/391834620.db2.gz BZRXGPGEUSKUCV-UHFFFAOYSA-N -1 3 268.280 1.205 10 0 CDAEHM O=C(c1cccc2[n-]nnc21)N1CCCn2nccc21 ZINC000526113739 391834621 /nfs/dbraw/zinc/83/46/21/391834621.db2.gz BZRXGPGEUSKUCV-UHFFFAOYSA-N -1 3 268.280 1.205 10 0 CDAEHM O=C(c1cccc2n[n-]nc21)N1CCCn2nccc21 ZINC000526113739 391834622 /nfs/dbraw/zinc/83/46/22/391834622.db2.gz BZRXGPGEUSKUCV-UHFFFAOYSA-N -1 3 268.280 1.205 10 0 CDAEHM Cc1ncoc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000525968016 391922460 /nfs/dbraw/zinc/92/24/60/391922460.db2.gz AWDTWEIQEPPYLE-SECBINFHSA-N -1 3 262.269 1.232 10 0 CDAEHM O=C(NCc1cccc(CO)n1)c1ccccc1[O-] ZINC000550101338 391982789 /nfs/dbraw/zinc/98/27/89/391982789.db2.gz LUSJXQTXUFJPRZ-UHFFFAOYSA-N -1 3 258.277 1.210 10 0 CDAEHM C[C@H](C(=O)NC1CCCCC1)N(C)CCCC(=O)[O-] ZINC000430651353 392031256 /nfs/dbraw/zinc/03/12/56/392031256.db2.gz MANQRMVMHZJSQS-LLVKDONJSA-N -1 3 270.373 1.620 10 0 CDAEHM O=C([N-]c1nnc2nc[nH]n12)c1coc(C2CCCC2)n1 ZINC000646266553 392222422 /nfs/dbraw/zinc/22/24/22/392222422.db2.gz CLOOHPRDPBLVOY-UHFFFAOYSA-N -1 3 287.283 1.350 10 0 CDAEHM COCc1nc(S[C@H](C)c2cnc(C)cn2)n[n-]1 ZINC000488282600 392331332 /nfs/dbraw/zinc/33/13/32/392331332.db2.gz RKMBOFXHQVATKP-MRVPVSSYSA-N -1 3 265.342 1.903 10 0 CDAEHM COCCCn1c(=O)[n-]nc1SCCC1(O)CC1 ZINC000442899606 392341500 /nfs/dbraw/zinc/34/15/00/392341500.db2.gz JRVDCDPOEBIJIA-UHFFFAOYSA-N -1 3 273.358 1.027 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)[C@@H](C)n1nc(C)cc1C ZINC000568174063 392386141 /nfs/dbraw/zinc/38/61/41/392386141.db2.gz NVNKRZILTQKUSK-SECBINFHSA-N -1 3 291.311 1.209 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)[C@@H](C)n1nc(C)cc1C ZINC000568174063 392386146 /nfs/dbraw/zinc/38/61/46/392386146.db2.gz NVNKRZILTQKUSK-SECBINFHSA-N -1 3 291.311 1.209 10 0 CDAEHM O=C(NC1(c2ccccc2F)CCC1)c1c[n-]nn1 ZINC000649023506 392623378 /nfs/dbraw/zinc/62/33/78/392623378.db2.gz PBVNGKVZFBYEMM-UHFFFAOYSA-N -1 3 260.272 1.753 10 0 CDAEHM O=C(NC1(c2ccccc2F)CCC1)c1cnn[n-]1 ZINC000649023506 392623381 /nfs/dbraw/zinc/62/33/81/392623381.db2.gz PBVNGKVZFBYEMM-UHFFFAOYSA-N -1 3 260.272 1.753 10 0 CDAEHM O=C(NC1(c2ccccc2F)CCC1)c1cn[n-]n1 ZINC000649023506 392623385 /nfs/dbraw/zinc/62/33/85/392623385.db2.gz PBVNGKVZFBYEMM-UHFFFAOYSA-N -1 3 260.272 1.753 10 0 CDAEHM CCOC[C@H](C)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000494375152 392986484 /nfs/dbraw/zinc/98/64/84/392986484.db2.gz NZFVFLGCLCCWBR-ZETCQYMHSA-N -1 3 297.298 1.807 10 0 CDAEHM O=c1cc(CN2CCSC[C@@H]2CCO)nc(C2CC2)[n-]1 ZINC000459359318 393114453 /nfs/dbraw/zinc/11/44/53/393114453.db2.gz GMPZGZROUPVSQT-LBPRGKRZSA-N -1 3 295.408 1.359 10 0 CDAEHM CCc1ncc(C[N-]S(=O)(=O)c2cc(C)oc2C)o1 ZINC000451957137 393411787 /nfs/dbraw/zinc/41/17/87/393411787.db2.gz IJYMPWIUFSHOFN-UHFFFAOYSA-N -1 3 284.337 1.925 10 0 CDAEHM O=C(c1cccc([O-])c1)N1C[C@H](O)CC(F)(F)C1 ZINC000682590716 483297933 /nfs/dbraw/zinc/29/79/33/483297933.db2.gz XOFHJEGUACZEPA-SNVBAGLBSA-N -1 3 257.236 1.234 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCN2CCC1CC2 ZINC000188855862 140103814 /nfs/dbraw/zinc/10/38/14/140103814.db2.gz IWIINIBYOGDCEI-UHFFFAOYSA-N -1 3 262.309 1.018 10 0 CDAEHM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc([O-])ccc1Cl ZINC000235573578 140235921 /nfs/dbraw/zinc/23/59/21/140235921.db2.gz XMARBNRHZJNYMW-DTWKUNHWSA-N -1 3 296.754 1.772 10 0 CDAEHM Cc1c(C(=O)[N-]c2ncn(C(C)C)n2)nn2c1OCCC2 ZINC000650285570 397853125 /nfs/dbraw/zinc/85/31/25/397853125.db2.gz BYOJTXQVAOTILP-UHFFFAOYSA-N -1 3 290.327 1.399 10 0 CDAEHM CCc1n[nH]cc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000676217559 483439565 /nfs/dbraw/zinc/43/95/65/483439565.db2.gz QOACWQOQADCOII-UHFFFAOYSA-N -1 3 263.272 1.747 10 0 CDAEHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N(CC1CC1)CC1CC1 ZINC000115723519 147266591 /nfs/dbraw/zinc/26/65/91/147266591.db2.gz HOUISBXLXPXAGC-UHFFFAOYSA-N -1 3 298.342 1.832 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N[C@@](C)(CCO)COC)c1 ZINC000182862734 148270775 /nfs/dbraw/zinc/27/07/75/148270775.db2.gz UZPFEVDBLBNKON-HNNXBMFYSA-N -1 3 281.352 1.472 10 0 CDAEHM COc1nnc(NC(=O)[C@H]2C[C@H]2c2cccc(OC)c2)[n-]1 ZINC000182989373 148279881 /nfs/dbraw/zinc/27/98/81/148279881.db2.gz NQEWRFQDYHOZAW-QWRGUYRKSA-N -1 3 288.307 1.564 10 0 CDAEHM COc1nc(NC(=O)[C@H]2C[C@H]2c2cccc(OC)c2)n[n-]1 ZINC000182989373 148279886 /nfs/dbraw/zinc/27/98/86/148279886.db2.gz NQEWRFQDYHOZAW-QWRGUYRKSA-N -1 3 288.307 1.564 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H]2C[C@H]2c2cccc(OC)c2)n1 ZINC000182989373 148279890 /nfs/dbraw/zinc/27/98/90/148279890.db2.gz NQEWRFQDYHOZAW-QWRGUYRKSA-N -1 3 288.307 1.564 10 0 CDAEHM COc1nc(NC(=O)c2csc(C3CC3)n2)n[n-]1 ZINC000183001553 148281213 /nfs/dbraw/zinc/28/12/13/148281213.db2.gz PGPBEIAZSZGORY-UHFFFAOYSA-N -1 3 265.298 1.400 10 0 CDAEHM COc1n[n-]c(NC(=O)c2csc(C3CC3)n2)n1 ZINC000183001553 148281216 /nfs/dbraw/zinc/28/12/16/148281216.db2.gz PGPBEIAZSZGORY-UHFFFAOYSA-N -1 3 265.298 1.400 10 0 CDAEHM COc1nnc(NC(=O)c2csc(C3CC3)n2)[n-]1 ZINC000183001553 148281211 /nfs/dbraw/zinc/28/12/11/148281211.db2.gz PGPBEIAZSZGORY-UHFFFAOYSA-N -1 3 265.298 1.400 10 0 CDAEHM CCOc1cc(C(=O)Nc2nnc(OC)[n-]2)ccc1C ZINC000183002960 148282063 /nfs/dbraw/zinc/28/20/63/148282063.db2.gz NDGYLDRNQBTCJB-UHFFFAOYSA-N -1 3 276.296 1.773 10 0 CDAEHM CCOc1cc(C(=O)Nc2n[n-]c(OC)n2)ccc1C ZINC000183002960 148282068 /nfs/dbraw/zinc/28/20/68/148282068.db2.gz NDGYLDRNQBTCJB-UHFFFAOYSA-N -1 3 276.296 1.773 10 0 CDAEHM CCOc1cc(C(=O)Nc2nc(OC)n[n-]2)ccc1C ZINC000183002960 148282072 /nfs/dbraw/zinc/28/20/72/148282072.db2.gz NDGYLDRNQBTCJB-UHFFFAOYSA-N -1 3 276.296 1.773 10 0 CDAEHM O=C(NCc1ncccc1[O-])[C@@H]1CCOc2ccccc21 ZINC000352501077 155231093 /nfs/dbraw/zinc/23/10/93/155231093.db2.gz MFTNMVLEQOLZOV-GFCCVEGCSA-N -1 3 284.315 1.970 10 0 CDAEHM O=C(NCc1ncccc1[O-])[C@@H]1CC(=O)c2ccccc21 ZINC000352511471 155238985 /nfs/dbraw/zinc/23/89/85/155238985.db2.gz YBVHUMZYKIIGRE-GFCCVEGCSA-N -1 3 282.299 1.774 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CSC[C@H]2C)o1 ZINC000334352549 149506125 /nfs/dbraw/zinc/50/61/25/149506125.db2.gz XKTOFSPPDIPCEF-VXNVDRBHSA-N -1 3 261.368 1.618 10 0 CDAEHM Cc1ccc(F)cc1C(=O)C(=O)NCc1ncccc1[O-] ZINC000352516622 155242361 /nfs/dbraw/zinc/24/23/61/155242361.db2.gz MGXAEVGPQHQRCK-UHFFFAOYSA-N -1 3 288.278 1.734 10 0 CDAEHM O=C(Cc1ccc(F)cc1F)NCc1ncccc1[O-] ZINC000352515940 155242383 /nfs/dbraw/zinc/24/23/83/155242383.db2.gz IZPGEPCMMZZCMM-UHFFFAOYSA-N -1 3 278.258 1.924 10 0 CDAEHM COCC[C@@H](COC)[N-]S(=O)(=O)c1cccs1 ZINC000352525184 155250155 /nfs/dbraw/zinc/25/01/55/155250155.db2.gz ZVGNELKNOPYYJT-VIFPVBQESA-N -1 3 279.383 1.078 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](O)C2(C)C)o1 ZINC000335846160 151069712 /nfs/dbraw/zinc/06/97/12/151069712.db2.gz GYOVAUIZDYFEKL-RKDXNWHRSA-N -1 3 259.327 1.026 10 0 CDAEHM C[C@H]1CC[C@@H]1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000335888323 151083707 /nfs/dbraw/zinc/08/37/07/151083707.db2.gz CEWMZUONABSFEV-CPCISQLKSA-N -1 3 273.292 1.490 10 0 CDAEHM CCc1ccc(C(=O)N2CCN(C3CC3)C(=O)C2)c([O-])c1 ZINC000336035413 151214424 /nfs/dbraw/zinc/21/44/24/151214424.db2.gz VWUUAQNTEGVFSY-UHFFFAOYSA-N -1 3 288.347 1.401 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2c(C)noc2C)o1 ZINC000336139798 151304769 /nfs/dbraw/zinc/30/47/69/151304769.db2.gz MBQLEYTXWNKOEI-UHFFFAOYSA-N -1 3 270.310 1.671 10 0 CDAEHM CN1CC[C@H]2CCN(C(=O)c3cc([O-])ccc3F)[C@H]2C1 ZINC000336203832 151357143 /nfs/dbraw/zinc/35/71/43/151357143.db2.gz VKFCURUZYRGOQC-HZMBPMFUSA-N -1 3 278.327 1.698 10 0 CDAEHM CC(C)([N-]S(=O)(=O)c1cnc2n1CCC2)C(F)(F)F ZINC000336262476 151399694 /nfs/dbraw/zinc/39/96/94/151399694.db2.gz OPWNURGUTDICNU-UHFFFAOYSA-N -1 3 297.302 1.449 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@@H]2CSC[C@@H]2C)sc1C ZINC000343636591 152252425 /nfs/dbraw/zinc/25/24/25/152252425.db2.gz UKUGGPNKUBWIFD-POYBYMJQSA-N -1 3 272.395 1.823 10 0 CDAEHM CC(C)Cn1ccnc1C[N-]S(=O)(=O)c1ccoc1 ZINC000352182221 155003504 /nfs/dbraw/zinc/00/35/04/155003504.db2.gz NYGMQHWIHRCQJI-UHFFFAOYSA-N -1 3 283.353 1.611 10 0 CDAEHM CCC(C)(C)N[C@H](C)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352989715 155572148 /nfs/dbraw/zinc/57/21/48/155572148.db2.gz RJOAIIPSYHTDCY-ZYHUDNBSSA-N -1 3 294.399 1.788 10 0 CDAEHM O=C(Nc1ncccc1[O-])C1CN(CC(F)(F)F)C1 ZINC000361863539 159003286 /nfs/dbraw/zinc/00/32/86/159003286.db2.gz XCICNJBZTMDZEH-UHFFFAOYSA-N -1 3 275.230 1.220 10 0 CDAEHM C[C@H]1CCOCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000362473075 159156181 /nfs/dbraw/zinc/15/61/81/159156181.db2.gz LRCVQSFKTFTSJY-VIFPVBQESA-N -1 3 260.297 1.209 10 0 CDAEHM CCc1cc(C(=O)N(C)Cc2cc[nH]n2)ccc1[O-] ZINC000362793940 159240202 /nfs/dbraw/zinc/24/02/02/159240202.db2.gz AKFZRCWUOARFHI-UHFFFAOYSA-N -1 3 259.309 1.950 10 0 CDAEHM O=C([N-]OCc1ccc(F)cc1)[C@H]1C[C@]12CCOC2 ZINC000372057966 160074606 /nfs/dbraw/zinc/07/46/06/160074606.db2.gz MDRBFHKAYXHSKP-OCCSQVGLSA-N -1 3 265.284 1.800 10 0 CDAEHM COC(=O)CCC(=O)NC(=S)Nc1ccccc1[O-] ZINC000006388665 170197195 /nfs/dbraw/zinc/19/71/95/170197195.db2.gz UGGNTBDXZAYEJZ-UHFFFAOYSA-N -1 3 282.321 1.158 10 0 CDAEHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NN)nc2)c1 ZINC000020563819 171253168 /nfs/dbraw/zinc/25/31/68/171253168.db2.gz FYKLCNGOARDEGO-UHFFFAOYSA-N -1 3 292.364 1.785 10 0 CDAEHM CCN1CCC[C@H]1Cn1c(C)nnc1SCC(=O)[O-] ZINC000020591946 171261700 /nfs/dbraw/zinc/26/17/00/171261700.db2.gz ACHWAURALPIIQQ-JTQLQIEISA-N -1 3 284.385 1.248 10 0 CDAEHM CCCN(C)S(=O)(=O)[N-]c1cc2n(n1)CCCC2 ZINC000285081869 196192693 /nfs/dbraw/zinc/19/26/93/196192693.db2.gz MJVJCSPIQHELDH-UHFFFAOYSA-N -1 3 272.374 1.218 10 0 CDAEHM COc1ccc(C(C)=O)cc1CNCCC(=O)[O-] ZINC000035386289 172168227 /nfs/dbraw/zinc/16/82/27/172168227.db2.gz DXKCSVYVLIUFTK-UHFFFAOYSA-N -1 3 251.282 1.462 10 0 CDAEHM CCC[C@H](C)NC(=O)[C@@H](C)N[C@H](C(=O)[O-])C(C)C ZINC000035390992 172174407 /nfs/dbraw/zinc/17/44/07/172174407.db2.gz GYJHKDIETNWJBN-AXFHLTTASA-N -1 3 258.362 1.379 10 0 CDAEHM CCc1nc(C)c(C(=O)[O-])c(SCCN(C)C)n1 ZINC000035659902 172337234 /nfs/dbraw/zinc/33/72/34/172337234.db2.gz WGUVKTGABMMXHA-UHFFFAOYSA-N -1 3 269.370 1.699 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)[C@@H]1CCCO1 ZINC000035734881 172386470 /nfs/dbraw/zinc/38/64/70/172386470.db2.gz CZPWCLBWYWXBNF-BDAKNGLRSA-N -1 3 290.772 1.581 10 0 CDAEHM COC[C@]1(C(=O)[O-])CCCN(CCO[C@@H]2CC2(F)F)C1 ZINC000656755605 413633187 /nfs/dbraw/zinc/63/31/87/413633187.db2.gz APQJFVSYBWRJPF-PWSUYJOCSA-N -1 3 293.310 1.224 10 0 CDAEHM C[C@@H](CNC(=O)NCC1(C(=O)[O-])CCC1)N(C)C1CC1 ZINC000220007850 413638096 /nfs/dbraw/zinc/63/80/96/413638096.db2.gz NPYWJWCVDXTAGO-JTQLQIEISA-N -1 3 283.372 1.023 10 0 CDAEHM CO[C@H](C)CS(=O)(=O)[N-]c1cncc2c1CCCC2 ZINC000656736951 413615909 /nfs/dbraw/zinc/61/59/09/413615909.db2.gz VQMGVCJKMTWBQR-SNVBAGLBSA-N -1 3 284.381 1.737 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-]C[C@@H](C)c2ccccn2)s1 ZINC000657040872 413870957 /nfs/dbraw/zinc/87/09/57/413870957.db2.gz VZCSEYGVPVMBKK-SECBINFHSA-N -1 3 297.405 1.929 10 0 CDAEHM CN(C)CCn1ccc(C(=O)Nc2c([O-])cccc2F)n1 ZINC000654966346 413849427 /nfs/dbraw/zinc/84/94/27/413849427.db2.gz VOWZKEWBFNQFMM-UHFFFAOYSA-N -1 3 292.314 1.542 10 0 CDAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccsc2)c2ncnn21 ZINC000657066921 413896793 /nfs/dbraw/zinc/89/67/93/413896793.db2.gz RLLDJLUFIWDUQY-APPZFPTMSA-N -1 3 284.366 1.324 10 0 CDAEHM C[C@@H](CC(=O)N1CC[C@@H](C)c2cccc([O-])c21)NC(N)=O ZINC000655003007 413898862 /nfs/dbraw/zinc/89/88/62/413898862.db2.gz GDVZKRUTLZBSCA-ZJUUUORDSA-N -1 3 291.351 1.679 10 0 CDAEHM C[C@@H]1C[C@H](N(C)C(=O)[C@@H](C(=O)[O-])C(C)(C)C)CCN1C ZINC000663078406 413899317 /nfs/dbraw/zinc/89/93/17/413899317.db2.gz HFNKHFZXTGGLCQ-UTUOFQBUSA-N -1 3 284.400 1.674 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CCc2ccoc2)c1 ZINC000657146832 413967854 /nfs/dbraw/zinc/96/78/54/413967854.db2.gz SNLLGMZREWFHEY-UHFFFAOYSA-N -1 3 269.326 1.017 10 0 CDAEHM CCn1c(=O)[n-]nc1SC[C@H](OC)[C@@H]1CCOC1 ZINC000657235004 414056707 /nfs/dbraw/zinc/05/67/07/414056707.db2.gz XRWGGFQRLYZFKV-BDAKNGLRSA-N -1 3 273.358 1.147 10 0 CDAEHM COc1cc(C[N-]S(=O)(=O)Cc2cccc(C)c2)on1 ZINC000660010255 414357564 /nfs/dbraw/zinc/35/75/64/414357564.db2.gz IVSDAQULOGPWOR-UHFFFAOYSA-N -1 3 296.348 1.611 10 0 CDAEHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccccn2)C1(F)F ZINC000660020126 414364225 /nfs/dbraw/zinc/36/42/25/414364225.db2.gz BEXXQRCUMNTACZ-MRVPVSSYSA-N -1 3 276.308 1.651 10 0 CDAEHM C[C@@H](CNC(=O)CCCC(=O)[O-])N1CCCCC1 ZINC000038028163 174016053 /nfs/dbraw/zinc/01/60/53/174016053.db2.gz DFYJUWWLKZAWEM-NSHDSACASA-N -1 3 256.346 1.232 10 0 CDAEHM CC[C@H](C)[C@@H](N)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000040473885 174281793 /nfs/dbraw/zinc/28/17/93/174281793.db2.gz JCQHXMOQHJOTMP-JOYOIKCWSA-N -1 3 264.325 1.374 10 0 CDAEHM CC(C)NCC(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000040473810 174281870 /nfs/dbraw/zinc/28/18/70/174281870.db2.gz MAAPFEZBUVYBNI-UHFFFAOYSA-N -1 3 254.261 1.460 10 0 CDAEHM CCC[C@](C)(N)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000040473827 174281991 /nfs/dbraw/zinc/28/19/91/174281991.db2.gz KYCYHMXYFHBKEC-ZDUSSCGKSA-N -1 3 268.288 1.980 10 0 CDAEHM CC[C@@H](N)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000040479368 174283589 /nfs/dbraw/zinc/28/35/89/174283589.db2.gz NGHBAEADWQXSDZ-MRVPVSSYSA-N -1 3 256.689 1.714 10 0 CDAEHM CC[C@@H](C)[C@H](N)C(=O)NCCCCCCC(=O)[O-] ZINC000040479735 174284222 /nfs/dbraw/zinc/28/42/22/174284222.db2.gz QNIFLWRJQWRGMD-PWSUYJOCSA-N -1 3 258.362 1.511 10 0 CDAEHM CC(C)[C@@H](N)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000040479925 174284414 /nfs/dbraw/zinc/28/44/14/174284414.db2.gz XLHSUURZWYKWPD-SNVBAGLBSA-N -1 3 254.261 1.446 10 0 CDAEHM CCC[C@H](N)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000040480164 174284565 /nfs/dbraw/zinc/28/45/65/174284565.db2.gz MHJAURAJHBJVGV-JTQLQIEISA-N -1 3 250.298 1.759 10 0 CDAEHM CC(C)C[C@@H](N)C(=O)N(CCC(=O)[O-])c1ccccc1 ZINC000040483880 174287419 /nfs/dbraw/zinc/28/74/19/174287419.db2.gz WFXPFZYNPGMPJZ-CYBMUJFWSA-N -1 3 278.352 1.868 10 0 CDAEHM CC[C@@H](C)[C@@H](NC(=O)N(C)C1CCN(C)CC1)C(=O)[O-] ZINC000040549460 174326614 /nfs/dbraw/zinc/32/66/14/174326614.db2.gz LNFXBHCPSFDZQA-ZYHUDNBSSA-N -1 3 285.388 1.221 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000043413639 175037620 /nfs/dbraw/zinc/03/76/20/175037620.db2.gz NGPQQMPSVKMDBH-AAEUAGOBSA-N -1 3 284.400 1.901 10 0 CDAEHM O=S1(=O)CC[C@@H](NCc2ccc([O-])c(Cl)c2)C1 ZINC000043476651 175055023 /nfs/dbraw/zinc/05/50/23/175055023.db2.gz XLNMPVMLTLNTHH-SECBINFHSA-N -1 3 275.757 1.322 10 0 CDAEHM CCOC(=O)[C@@H](C)Oc1ccc2c([O-])coc2c1 ZINC000043638217 175083956 /nfs/dbraw/zinc/08/39/56/175083956.db2.gz KTKCGTMVWAMPJQ-MRVPVSSYSA-N -1 3 250.250 1.592 10 0 CDAEHM CCOC[C@@H](C)NC(=O)c1cccc(OC)c1[O-] ZINC000044413989 175172506 /nfs/dbraw/zinc/17/25/06/175172506.db2.gz SNEJCKBPRHCHBX-SECBINFHSA-N -1 3 253.298 1.556 10 0 CDAEHM CN1CC[C@@H](NC(=O)c2ccc(Br)cc2[O-])C1 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C[C@H]1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H]1F ZINC000901348604 624184328 /nfs/dbraw/zinc/18/43/28/624184328.db2.gz AVOKDRTZDFSWQK-GZMMTYOYSA-N -1 3 279.315 1.880 10 0 CDAEHM C(Cc1nnn[n-]1)SC[C@@H]1CCCC2(CCC2)O1 ZINC000901567117 624340085 /nfs/dbraw/zinc/34/00/85/624340085.db2.gz ZFMBDDQFCKZZMK-JTQLQIEISA-N -1 3 268.386 1.967 10 0 CDAEHM C(Cc1nn[n-]n1)SC[C@@H]1CCCC2(CCC2)O1 ZINC000901567117 624340086 /nfs/dbraw/zinc/34/00/86/624340086.db2.gz ZFMBDDQFCKZZMK-JTQLQIEISA-N -1 3 268.386 1.967 10 0 CDAEHM CCO[C@@H]1[C@@H](C)[C@@H]1c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000903730530 626067153 /nfs/dbraw/zinc/06/71/53/626067153.db2.gz LMKDFUFBGVLURT-JMOVZRAMSA-N -1 3 262.269 1.371 10 0 CDAEHM CCc1n[n-]c(S(=O)(=O)CC(F)(F)CC)n1 ZINC000905250493 626704668 /nfs/dbraw/zinc/70/46/68/626704668.db2.gz PWLSKASEQYKQAP-UHFFFAOYSA-N -1 3 253.274 1.186 10 0 CDAEHM CCc1nnc(S(=O)(=O)CC(F)(F)CC)[n-]1 ZINC000905250493 626704669 /nfs/dbraw/zinc/70/46/69/626704669.db2.gz PWLSKASEQYKQAP-UHFFFAOYSA-N -1 3 253.274 1.186 10 0 CDAEHM CSCCO[N-]C(=O)C[C@@H](O)C(Cl)(Cl)Cl ZINC000907895558 627883974 /nfs/dbraw/zinc/88/39/74/627883974.db2.gz PWMCNPXGQSTFQT-RXMQYKEDSA-N -1 3 296.603 1.518 10 0 CDAEHM CCCN1CCC[C@H]1C(=O)NCc1cc(C(=O)[O-])co1 ZINC000910306451 628973152 /nfs/dbraw/zinc/97/31/52/628973152.db2.gz HXQOPQYWATYJOV-LBPRGKRZSA-N -1 3 280.324 1.468 10 0 CDAEHM CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000911808366 629540143 /nfs/dbraw/zinc/54/01/43/629540143.db2.gz DCPGDCWREFRZBY-ZMLRMANQSA-N -1 3 293.367 1.513 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)C[C@H](O)CC(C)(C)C)n1 ZINC000911862902 629575618 /nfs/dbraw/zinc/57/56/18/629575618.db2.gz CSYFVMQGURUXCG-JTQLQIEISA-N -1 3 281.356 1.294 10 0 CDAEHM CC1(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)CCC(=O)CC1 ZINC000911856081 629595095 /nfs/dbraw/zinc/59/50/95/629595095.db2.gz TZNLVRMTKLPRDH-JTQLQIEISA-N -1 3 291.351 1.581 10 0 CDAEHM COC(=O)[C@@H](CCF)NC(=O)c1c([O-])cccc1OC ZINC000911884707 629611583 /nfs/dbraw/zinc/61/15/83/629611583.db2.gz 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COc1ccc(C(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c([O-])c1 ZINC001646075384 1167635720 /nfs/dbraw/zinc/63/57/20/1167635720.db2.gz WLADXQJQIHDNFD-JRIPDTHKSA-N -1 3 289.331 1.554 10 0 CDAEHM O=C(NCc1c[nH]nn1)c1c([O-])cnc2c(F)cccc21 ZINC001566244705 1168252768 /nfs/dbraw/zinc/25/27/68/1168252768.db2.gz CXBGMUKYIBOPFF-UHFFFAOYSA-N -1 3 287.254 1.128 10 0 CDAEHM O=C(NC1(c2ncon2)CC1)c1cc([O-])ccc1Cl ZINC001646999886 1168338566 /nfs/dbraw/zinc/33/85/66/1168338566.db2.gz WRVSAOIWFFPIKD-UHFFFAOYSA-N -1 3 279.683 1.848 10 0 CDAEHM COCCNc1ccccc1NC(=O)c1cc(=O)[n-]cn1 ZINC001567524266 1168830853 /nfs/dbraw/zinc/83/08/53/1168830853.db2.gz YVIAGFLNEFQDDL-UHFFFAOYSA-N -1 3 288.307 1.493 10 0 CDAEHM CC(C)=CC(=O)NC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001579305301 1172141136 /nfs/dbraw/zinc/14/11/36/1172141136.db2.gz VVLPLQISDLWNQN-LLVKDONJSA-N -1 3 276.336 1.593 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)c1cc(C)nc(Cl)c1 ZINC001587268715 1172979091 /nfs/dbraw/zinc/97/90/91/1172979091.db2.gz LZTLZVRJSUWEFQ-UHFFFAOYSA-N -1 3 294.698 1.805 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)c1cc(C)nc(Cl)c1 ZINC001587268715 1172979096 /nfs/dbraw/zinc/97/90/96/1172979096.db2.gz LZTLZVRJSUWEFQ-UHFFFAOYSA-N -1 3 294.698 1.805 10 0 CDAEHM CCOc1nnc(NC(=O)c2ccc(-n3cnnc3)cc2)[n-]1 ZINC001587740642 1172996637 /nfs/dbraw/zinc/99/66/37/1172996637.db2.gz DUAYMCRLZUPUCR-UHFFFAOYSA-N -1 3 299.294 1.036 10 0 CDAEHM CCOc1nc(NC(=O)c2ccc(-n3cnnc3)cc2)n[n-]1 ZINC001587740642 1172996640 /nfs/dbraw/zinc/99/66/40/1172996640.db2.gz DUAYMCRLZUPUCR-UHFFFAOYSA-N -1 3 299.294 1.036 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2ccc(-n3cnnc3)cc2)n1 ZINC001587740642 1172996645 /nfs/dbraw/zinc/99/66/45/1172996645.db2.gz DUAYMCRLZUPUCR-UHFFFAOYSA-N -1 3 299.294 1.036 10 0 CDAEHM O=Cc1cncc(C(=O)[N-]N2CCc3ccccc3C2=O)c1 ZINC001597283589 1174265961 /nfs/dbraw/zinc/26/59/61/1174265961.db2.gz FFWCMCUSLPBQQT-UHFFFAOYSA-N -1 3 295.298 1.237 10 0 CDAEHM C[C@@H](CCCNC(=O)CC1CCC1)NC(=O)c1cn[n-]n1 ZINC001679378051 1174476748 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WLZJVZWKTKJYGB-LBPRGKRZSA-N -1 3 264.325 1.770 10 0 CDAEHM COc1cccc(C(=O)NCCC2CC(OC)C2)c1[O-] ZINC000617025924 342610005 /nfs/dbraw/zinc/61/00/05/342610005.db2.gz YXJYXQBIQOKTEQ-UHFFFAOYSA-N -1 3 279.336 1.946 10 0 CDAEHM CC1(C)Cc2nc([N-]C(=O)c3cocn3)sc2C(=O)N1 ZINC000650893731 398255961 /nfs/dbraw/zinc/25/59/61/398255961.db2.gz ABAGQBONQXUFKG-UHFFFAOYSA-N -1 3 292.320 1.448 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N[C@H](C)Cn1cncn1 ZINC000624249708 342140228 /nfs/dbraw/zinc/14/02/28/342140228.db2.gz UDLDHCDHVFXVDV-SNVBAGLBSA-N -1 3 260.297 1.111 10 0 CDAEHM CCCN(CCC)S(=O)(=O)[N-]c1cnn(CCF)c1 ZINC000629317473 361834657 /nfs/dbraw/zinc/83/46/57/361834657.db2.gz IVOOBMHJKHGFPK-UHFFFAOYSA-N -1 3 292.380 1.631 10 0 CDAEHM C[C@@H]1CCCN(S(=O)(=O)[N-]c2cnn(CCF)c2)C1 ZINC000629319251 361836976 /nfs/dbraw/zinc/83/69/76/361836976.db2.gz YSZOODSIJNJEFM-SNVBAGLBSA-N -1 3 290.364 1.241 10 0 CDAEHM COC(=O)c1nccnc1[N-]c1cnn(C)c1C(F)F ZINC000591926509 342658957 /nfs/dbraw/zinc/65/89/57/342658957.db2.gz ZQCONVYJKBETNO-UHFFFAOYSA-N -1 3 283.238 1.100 10 0 CDAEHM O=S(=O)([N-][C@H]1CCC[C@H](O)C1)c1ccc(F)cc1F ZINC000077103192 342147800 /nfs/dbraw/zinc/14/78/00/342147800.db2.gz GMECRBHHLOULOC-UWVGGRQHSA-N -1 3 291.319 1.547 10 0 CDAEHM CC[C@@H](CNC(=O)c1cccc(OC)c1[O-])C(=O)OC ZINC000592870301 342741974 /nfs/dbraw/zinc/74/19/74/342741974.db2.gz MTQHEDPGRHUSTQ-VIFPVBQESA-N -1 3 281.308 1.330 10 0 CDAEHM CC1(C(=O)C[N-]S(=O)(=O)CC2CCC2)CCCC1 ZINC000625547574 342183918 /nfs/dbraw/zinc/18/39/18/342183918.db2.gz SELYSSZALMWFSE-UHFFFAOYSA-N -1 3 273.398 1.855 10 0 CDAEHM CO[C@H]1CCC[C@@H]1Sc1nnc2[n-]c(=O)c(C)nn21 ZINC000273102647 192043519 /nfs/dbraw/zinc/04/35/19/192043519.db2.gz LGGDYBNIUSFGRY-YUMQZZPRSA-N -1 3 281.341 1.193 10 0 CDAEHM CCN(CC)CCS(=O)(=O)[N-]CC(=O)C1CCCC1 ZINC000625544754 342184130 /nfs/dbraw/zinc/18/41/30/342184130.db2.gz AJNRRMFVUKNWNH-UHFFFAOYSA-N -1 3 290.429 1.007 10 0 CDAEHM C/C=C/C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000625556325 342187064 /nfs/dbraw/zinc/18/70/64/342187064.db2.gz GZSMBOKLSYQFFO-FSIBCCDJSA-N -1 3 269.370 1.635 10 0 CDAEHM CN(C(=O)c1cc([O-])c2ccccc2c1)[C@@H]1CCN(C)C1=O ZINC000280405180 539127743 /nfs/dbraw/zinc/12/77/43/539127743.db2.gz OJDOLEKPWALSQO-CQSZACIVSA-N -1 3 298.342 1.848 10 0 CDAEHM Cc1cncc(CCNC(=O)c2ccc([O-])c(C)c2)n1 ZINC000619204354 349651007 /nfs/dbraw/zinc/65/10/07/349651007.db2.gz BTUGLGHXNFVYSH-UHFFFAOYSA-N -1 3 271.320 1.772 10 0 CDAEHM O=C(N[C@@H]1CCCC[C@H]1CO)c1cccc2nn[n-]c21 ZINC000188497085 539150503 /nfs/dbraw/zinc/15/05/03/539150503.db2.gz JXOHMJAWBSGCLK-GXSJLCMTSA-N -1 3 274.324 1.239 10 0 CDAEHM O=C(N[C@@H]1CCCC[C@H]1CO)c1cccc2[n-]nnc21 ZINC000188497085 539150504 /nfs/dbraw/zinc/15/05/04/539150504.db2.gz JXOHMJAWBSGCLK-GXSJLCMTSA-N -1 3 274.324 1.239 10 0 CDAEHM O=C(N[C@@H]1CCCC[C@H]1CO)c1cccc2n[n-]nc21 ZINC000188497085 539150505 /nfs/dbraw/zinc/15/05/05/539150505.db2.gz JXOHMJAWBSGCLK-GXSJLCMTSA-N -1 3 274.324 1.239 10 0 CDAEHM C[C@]1(c2ccccc2)CCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000626059060 342296848 /nfs/dbraw/zinc/29/68/48/342296848.db2.gz ZKKJTMDWRXEKTH-INIZCTEOSA-N -1 3 283.331 1.986 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCN(CCCF)CC2)n1 ZINC000626070938 342298778 /nfs/dbraw/zinc/29/87/78/342298778.db2.gz INPODPMATKNXHJ-UHFFFAOYSA-N -1 3 282.363 1.222 10 0 CDAEHM CCC[C@H](C)S(=O)(=O)[N-][C@](C)(CCF)C(=O)OC ZINC000594864993 342965561 /nfs/dbraw/zinc/96/55/61/342965561.db2.gz IHHMMVKKEMBYQN-GXSJLCMTSA-N -1 3 283.365 1.386 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CCCc2ccccc2)c1 ZINC000080710038 342359719 /nfs/dbraw/zinc/35/97/19/342359719.db2.gz XPFVKDBXAFQFED-UHFFFAOYSA-N -1 3 293.392 1.814 10 0 CDAEHM C[C@H]1CC(=O)N(C)c2ccc(NC(=O)c3nc[n-]n3)cc21 ZINC000629515685 362130650 /nfs/dbraw/zinc/13/06/50/362130650.db2.gz SWXBRFSDQPAHKG-QMMMGPOBSA-N -1 3 285.307 1.527 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@H]2C[C@H](O)C23CCC3)sc1C ZINC000596500481 343337006 /nfs/dbraw/zinc/33/70/06/343337006.db2.gz BLELGCKYGLZJKF-IUCAKERBSA-N -1 3 282.365 1.375 10 0 CDAEHM CN(C)[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000071140083 282263875 /nfs/dbraw/zinc/26/38/75/282263875.db2.gz IYOLLEVJAFUCBT-JTQLQIEISA-N -1 3 268.744 1.822 10 0 CDAEHM C[C@@H]1COCC[C@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000569665366 362243708 /nfs/dbraw/zinc/24/37/08/362243708.db2.gz AZQINHJZPVATRY-PSASIEDQSA-N -1 3 260.297 1.113 10 0 CDAEHM C[C@@H]1COCC[C@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000569665366 362243714 /nfs/dbraw/zinc/24/37/14/362243714.db2.gz AZQINHJZPVATRY-PSASIEDQSA-N -1 3 260.297 1.113 10 0 CDAEHM C[C@@H]1COCC[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000569665366 362243720 /nfs/dbraw/zinc/24/37/20/362243720.db2.gz AZQINHJZPVATRY-PSASIEDQSA-N -1 3 260.297 1.113 10 0 CDAEHM CCc1cc(C(=O)N[C@@](C)(CCF)C(=O)OC)ccc1[O-] ZINC000598292057 343756262 /nfs/dbraw/zinc/75/62/62/343756262.db2.gz WYASQRCMFVNLIF-HNNXBMFYSA-N -1 3 297.326 1.976 10 0 CDAEHM C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(O)cc2[O-])O1 ZINC000618583677 345168347 /nfs/dbraw/zinc/16/83/47/345168347.db2.gz XJUZKSYEZSZOQZ-KOLCDFICSA-N -1 3 265.309 1.785 10 0 CDAEHM COc1cc(C(=O)N[C@H]2C[C@H](C)n3ncnc32)ccc1[O-] ZINC000617443211 345537370 /nfs/dbraw/zinc/53/73/70/345537370.db2.gz WXNTYQQVAVTKTB-WPRPVWTQSA-N -1 3 288.307 1.428 10 0 CDAEHM Cc1cn2c(n1)C[C@H](C(=O)Nc1ncccc1[O-])CC2 ZINC000626423796 345573851 /nfs/dbraw/zinc/57/38/51/345573851.db2.gz PSONRMJNPMOBGP-SNVBAGLBSA-N -1 3 272.308 1.493 10 0 CDAEHM CC(C)[C@@H](CN(C)C)NC(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000085338511 179024731 /nfs/dbraw/zinc/02/47/31/179024731.db2.gz MUAZTIAUYOMIQG-SDDRHHMPSA-N -1 3 285.388 1.125 10 0 CDAEHM O=C1N[C@@H](CC2CC2)C(=O)N1Cc1ccc([O-])c(F)c1 ZINC000349053468 346275812 /nfs/dbraw/zinc/27/58/12/346275812.db2.gz PFJWPLXMFUTWJL-NSHDSACASA-N -1 3 278.283 1.752 10 0 CDAEHM CN(C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])C1CCN(C)CC1 ZINC000085332752 179022054 /nfs/dbraw/zinc/02/20/54/179022054.db2.gz OIVOBUUIUSRUAL-OLZOCXBDSA-N -1 3 297.399 1.365 10 0 CDAEHM Cc1nc(-c2ccc3c(c2)CCO3)[n-]c(=O)c1CCO ZINC000085404070 179053912 /nfs/dbraw/zinc/05/39/12/179053912.db2.gz QEFJJOAFVVBBKN-UHFFFAOYSA-N -1 3 272.304 1.215 10 0 CDAEHM C[C@@H](NC(=O)c1c[n-]nc1-c1ccccn1)[C@H](C)CO ZINC000355006198 365832889 /nfs/dbraw/zinc/83/28/89/365832889.db2.gz IMPDOHDIGIDCGY-NXEZZACHSA-N -1 3 274.324 1.218 10 0 CDAEHM Cc1cc(NC(=O)[C@H](N)CC(=O)[O-])c2ccccc2n1 ZINC000085810955 179177345 /nfs/dbraw/zinc/17/73/45/179177345.db2.gz PEVACSJVPUZHSL-SNVBAGLBSA-N -1 3 273.292 1.284 10 0 CDAEHM CN(CCCc1ccccc1)C(=O)[C@H](N)CCC(=O)[O-] ZINC000085819022 179182148 /nfs/dbraw/zinc/18/21/48/179182148.db2.gz FHQIXTBQWOIDLT-CYBMUJFWSA-N -1 3 278.352 1.270 10 0 CDAEHM CCCc1ccccc1NC(=O)[C@H](N)CCC(=O)[O-] ZINC000085819365 179182316 /nfs/dbraw/zinc/18/23/16/179182316.db2.gz LDWKZIIWFJHFNN-LLVKDONJSA-N -1 3 264.325 1.770 10 0 CDAEHM C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@@H](N)CCC(=O)[O-] ZINC000085838651 179184063 /nfs/dbraw/zinc/18/40/63/179184063.db2.gz WTGQZMTUZLJKAV-SKDRFNHKSA-N -1 3 282.315 1.537 10 0 CDAEHM Cc1ccsc1CN(C)C(=O)[C@@H](N)CCC(=O)[O-] ZINC000085838836 179185072 /nfs/dbraw/zinc/18/50/72/179185072.db2.gz NKCGCLBCYBIYAC-VIFPVBQESA-N -1 3 270.354 1.207 10 0 CDAEHM COc1cccc([C@@H]2CCCN2C(=O)[C@H](N)CC(=O)[O-])c1 ZINC000085815700 179179230 /nfs/dbraw/zinc/17/92/30/179179230.db2.gz QQTLOYZCXMOZNL-OLZOCXBDSA-N -1 3 292.335 1.161 10 0 CDAEHM COc1nc(NC(=O)C2CCC3(CC3)CC2)n[n-]1 ZINC000613196284 347462271 /nfs/dbraw/zinc/46/22/71/347462271.db2.gz OPDOSNQIJGLNGU-UHFFFAOYSA-N -1 3 250.302 1.722 10 0 CDAEHM COc1nnc(NC(=O)C2CCC3(CC3)CC2)[n-]1 ZINC000613196284 347462272 /nfs/dbraw/zinc/46/22/72/347462272.db2.gz OPDOSNQIJGLNGU-UHFFFAOYSA-N -1 3 250.302 1.722 10 0 CDAEHM COc1n[n-]c(NC(=O)C2CCC3(CC3)CC2)n1 ZINC000613196284 347462275 /nfs/dbraw/zinc/46/22/75/347462275.db2.gz OPDOSNQIJGLNGU-UHFFFAOYSA-N -1 3 250.302 1.722 10 0 CDAEHM CN1CCOC[C@@H]1CNCc1cccc([O-])c1Cl ZINC000623712362 347652156 /nfs/dbraw/zinc/65/21/56/347652156.db2.gz BZNVLFNLQSDOLG-NSHDSACASA-N -1 3 270.760 1.466 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](O)C2)s1 ZINC000677238665 482590917 /nfs/dbraw/zinc/59/09/17/482590917.db2.gz GKAFUTBSVDYROR-RKDXNWHRSA-N -1 3 276.383 1.033 10 0 CDAEHM O=C(c1c([O-])cccc1F)N1CC[C@@H](N2CCC2)[C@@H](F)C1 ZINC000614095791 347999131 /nfs/dbraw/zinc/99/91/31/347999131.db2.gz ZQYTZKLZPJJUFS-NWDGAFQWSA-N -1 3 296.317 1.790 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@H]2CCC2(C)C)nc1=N ZINC000614426936 348109691 /nfs/dbraw/zinc/10/96/91/348109691.db2.gz MOEFYPWTFAVOGV-ZJUUUORDSA-N -1 3 277.372 1.327 10 0 CDAEHM CO[C@@H](C(=O)Nc1cccc(C(C)=O)c1[O-])[C@@H]1CCOC1 ZINC000614860095 348253019 /nfs/dbraw/zinc/25/30/19/348253019.db2.gz FFDQNFCAVKDOLX-QMTHXVAHSA-N -1 3 293.319 1.585 10 0 CDAEHM C[C@@H]1[C@@H](C(=O)[N-]c2nnc3[nH]cnn23)[C@@H]1c1ccccc1 ZINC000614994334 348297518 /nfs/dbraw/zinc/29/75/18/348297518.db2.gz QIZVERGRFVSQLO-INTQDDNPSA-N -1 3 282.307 1.441 10 0 CDAEHM CCOC(=O)C[N-]S(=O)(=O)C1CCC(C)CC1 ZINC000407301337 348317779 /nfs/dbraw/zinc/31/77/79/348317779.db2.gz KRXBNOBGRZVSDI-UHFFFAOYSA-N -1 3 263.359 1.048 10 0 CDAEHM O=C([N-][C@]1(CO)CCOC1)C(F)(F)c1ccccc1F ZINC000273370605 192129722 /nfs/dbraw/zinc/12/97/22/192129722.db2.gz FDPHIYXEXMAFFJ-LBPRGKRZSA-N -1 3 289.253 1.185 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2CC[C@H](CO)[C@@H]2CC)cs1 ZINC000615682172 348646516 /nfs/dbraw/zinc/64/65/16/348646516.db2.gz AWDCZLGYNGFPLC-KOLCDFICSA-N -1 3 283.397 1.230 10 0 CDAEHM O=C(NCCn1cnnc1)c1ccc2c(c1[O-])CCCC2 ZINC000615630445 348616408 /nfs/dbraw/zinc/61/64/08/348616408.db2.gz HLHJAAULHDKRJM-UHFFFAOYSA-N -1 3 286.335 1.293 10 0 CDAEHM O=C(CNC(=O)c1cc2c(cc1[O-])CCCC2)NC1CC1 ZINC000068541309 349070652 /nfs/dbraw/zinc/07/06/52/349070652.db2.gz FMGDMCVETRVCFD-UHFFFAOYSA-N -1 3 288.347 1.279 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CCN[C@H](c2ccccc2)C1 ZINC000616143138 349310808 /nfs/dbraw/zinc/31/08/08/349310808.db2.gz KKNVJAOESHXEQJ-INIZCTEOSA-N -1 3 297.358 1.503 10 0 CDAEHM CCN(CC(=O)OC)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000271365324 191099243 /nfs/dbraw/zinc/09/92/43/191099243.db2.gz YTDQEFASGAFWRL-UHFFFAOYSA-N -1 3 291.347 1.906 10 0 CDAEHM CC1(C)COC[C@H]1NCc1nc(=O)c2sccc2[n-]1 ZINC000313020908 350812487 /nfs/dbraw/zinc/81/24/87/350812487.db2.gz AHJXUWCTQXWYBN-SECBINFHSA-N -1 3 279.365 1.912 10 0 CDAEHM O=C(NCCCC1CCOCC1)c1cc(F)c[n-]c1=O ZINC000622071354 350968558 /nfs/dbraw/zinc/96/85/58/350968558.db2.gz PRVKRSXQZJUPNW-UHFFFAOYSA-N -1 3 282.315 1.863 10 0 CDAEHM O=C(c1cc(F)c[n-]c1=O)N1CC[C@H](OC(F)F)C1 ZINC000622032659 350942518 /nfs/dbraw/zinc/94/25/18/350942518.db2.gz PYJNHWYUHSTTAS-ZETCQYMHSA-N -1 3 276.214 1.380 10 0 CDAEHM O=C(NCCC1(F)CCC1)c1cc(F)c[n-]c1=O ZINC000622053048 350954940 /nfs/dbraw/zinc/95/49/40/350954940.db2.gz JJPLJHUVIDZGFO-UHFFFAOYSA-N -1 3 256.252 1.938 10 0 CDAEHM Cc1cnc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c([O-])c1 ZINC000408229753 358460634 /nfs/dbraw/zinc/46/06/34/358460634.db2.gz WQJRFPCYTCWXOH-VXGBXAGGSA-N -1 3 277.368 1.508 10 0 CDAEHM CC(C)n1ncnc1CNC(=O)c1cccc([O-])c1 ZINC000622570351 351215978 /nfs/dbraw/zinc/21/59/78/351215978.db2.gz ASWVWVHWPPCBDJ-UHFFFAOYSA-N -1 3 260.297 1.495 10 0 CDAEHM CC(=O)NCc1ccc(C(=O)[N-]c2cnoc2)s1 ZINC000623938966 351338006 /nfs/dbraw/zinc/33/80/06/351338006.db2.gz WRZXNQXQVJUHMB-UHFFFAOYSA-N -1 3 265.294 1.625 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1cc(C)cs1)[C@@H](O)C(F)F ZINC000451702194 363076360 /nfs/dbraw/zinc/07/63/60/363076360.db2.gz BZJWKGIAJFEPMZ-IONNQARKSA-N -1 3 299.364 1.739 10 0 CDAEHM CC(C)(C)C[C@H](O)CC(=O)Nc1ncccc1[O-] ZINC000291601061 198047354 /nfs/dbraw/zinc/04/73/54/198047354.db2.gz FHXYMIADIZFBNT-SECBINFHSA-N -1 3 252.314 1.913 10 0 CDAEHM CC(C)(C)N1CC[C@@](F)(C(=O)[N-]OC/C=C/Cl)C1 ZINC000291964926 198118586 /nfs/dbraw/zinc/11/85/86/198118586.db2.gz XSGNKZHQBCXGHU-FUEXJSSKSA-N -1 3 278.755 1.999 10 0 CDAEHM COc1cc(C(=O)N[C@H](C)[C@@H](C)OC)cc(OC)c1[O-] ZINC000292453590 198294945 /nfs/dbraw/zinc/29/49/45/198294945.db2.gz GEQRKPKFDQLTBZ-RKDXNWHRSA-N -1 3 283.324 1.563 10 0 CDAEHM Cc1ncsc1C[N-]S(=O)(=O)c1cscn1 ZINC000578863708 324041231 /nfs/dbraw/zinc/04/12/31/324041231.db2.gz XFKBDEQVOACKGK-UHFFFAOYSA-N -1 3 275.380 1.387 10 0 CDAEHM Cc1cc(C)c2c(c1)N(C(=O)c1cc(=O)[n-]cn1)CCO2 ZINC000628003622 356335374 /nfs/dbraw/zinc/33/53/74/356335374.db2.gz INSIFYZQVWFEPH-UHFFFAOYSA-N -1 3 285.303 1.838 10 0 CDAEHM Cc1nc(C)c(CCC(=O)NCCC(C)C)c(=O)[n-]1 ZINC000016469247 356440320 /nfs/dbraw/zinc/44/03/20/356440320.db2.gz POKVIDXQQKYCMQ-UHFFFAOYSA-N -1 3 265.357 1.482 10 0 CDAEHM Cc1nc(C)c(S(=O)(=O)[N-]CC2(C)COC2)s1 ZINC000019715989 356497101 /nfs/dbraw/zinc/49/71/01/356497101.db2.gz GTFFKSYPFQYTKR-UHFFFAOYSA-N -1 3 276.383 1.075 10 0 CDAEHM CC1(C)OC(C)(C)C(=O)N(c2ncc(Cl)cn2)[N-]C1=O ZINC000634606026 356559220 /nfs/dbraw/zinc/55/92/20/356559220.db2.gz FBFWEPDVGGMTGF-UHFFFAOYSA-N -1 3 298.730 1.082 10 0 CDAEHM CCO[N-]C(=O)Nc1ccc(CC(=O)OC)cc1 ZINC000273796335 192310328 /nfs/dbraw/zinc/31/03/28/192310328.db2.gz ZHCTVNFKPUBURC-UHFFFAOYSA-N -1 3 252.270 1.475 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)o1 ZINC000336386384 363485472 /nfs/dbraw/zinc/48/54/72/363485472.db2.gz KFDAQXJJTULTIA-NSHDSACASA-N -1 3 285.365 1.968 10 0 CDAEHM Cc1noc([C@@H]2OCC[C@@H]2NC(=O)c2cccc([O-])c2)n1 ZINC000629793258 363489192 /nfs/dbraw/zinc/48/91/92/363489192.db2.gz CCERPTGBNBOOJU-NWDGAFQWSA-N -1 3 289.291 1.344 10 0 CDAEHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000356508913 366363632 /nfs/dbraw/zinc/36/36/32/366363632.db2.gz BPHHTQKYNMFVKI-GDLCADMTSA-N -1 3 284.319 1.257 10 0 CDAEHM CC(C)Sc1nnc(NC(=O)Cn2cccn2)[n-]1 ZINC000072295831 356760870 /nfs/dbraw/zinc/76/08/70/356760870.db2.gz XDRLBHUGFKNBOM-UHFFFAOYSA-N -1 3 266.330 1.140 10 0 CDAEHM CC(C)Sc1n[n-]c(NC(=O)Cn2cccn2)n1 ZINC000072295831 356760873 /nfs/dbraw/zinc/76/08/73/356760873.db2.gz XDRLBHUGFKNBOM-UHFFFAOYSA-N -1 3 266.330 1.140 10 0 CDAEHM CC(C)Sc1nc(NC(=O)Cn2cccn2)n[n-]1 ZINC000072295831 356760877 /nfs/dbraw/zinc/76/08/77/356760877.db2.gz XDRLBHUGFKNBOM-UHFFFAOYSA-N -1 3 266.330 1.140 10 0 CDAEHM Cc1cc([C@@H](C)NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c(C)s1 ZINC000042740609 357078447 /nfs/dbraw/zinc/07/84/47/357078447.db2.gz 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ZINC000192199812 130393205 /nfs/dbraw/zinc/39/32/05/130393205.db2.gz ISQLSBCZRHWLJP-ZDUSSCGKSA-N -1 3 294.286 1.453 10 0 CDAEHM CC(C)C(=O)N1CCC(NC(=O)c2cccc([O-])c2)CC1 ZINC000169876995 391834144 /nfs/dbraw/zinc/83/41/44/391834144.db2.gz PQDPABSULQOALV-UHFFFAOYSA-N -1 3 290.363 1.769 10 0 CDAEHM CN(C)c1nc(C(=O)Nc2cccc3cc[nH]c32)cc(=O)[n-]1 ZINC000549731209 391959307 /nfs/dbraw/zinc/95/93/07/391959307.db2.gz FVRPJWBVTUOJNC-UHFFFAOYSA-N -1 3 297.318 1.982 10 0 CDAEHM CC[C@H]1CCCCN1C(=O)[C@H](C)N(C)CCCC(=O)[O-] ZINC000430647250 392030937 /nfs/dbraw/zinc/03/09/37/392030937.db2.gz FFVICCMHXGPNGH-STQMWFEESA-N -1 3 284.400 1.963 10 0 CDAEHM Cc1ccccc1CNC(=O)CN(C)CCCC(=O)[O-] ZINC000430658160 392033912 /nfs/dbraw/zinc/03/39/12/392033912.db2.gz XFHVFWFUWJZBSS-UHFFFAOYSA-N -1 3 278.352 1.408 10 0 CDAEHM COc1ncccc1[N-]S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000151949424 392212381 /nfs/dbraw/zinc/21/23/81/392212381.db2.gz UDSLCEZGKBWNBH-SNVBAGLBSA-N -1 3 285.369 1.479 10 0 CDAEHM 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288.307 1.708 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCN(C2CCOCC2)CC1 ZINC000179567915 148122465 /nfs/dbraw/zinc/12/24/65/148122465.db2.gz MDSCWQKBELINLO-UHFFFAOYSA-N -1 3 290.363 1.329 10 0 CDAEHM C[C@@](NC(=O)c1cccc([O-])c1)(C(N)=O)c1ccccc1 ZINC000182267589 148253292 /nfs/dbraw/zinc/25/32/92/148253292.db2.gz BJXNPUSKKQQWMJ-INIZCTEOSA-N -1 3 284.315 1.523 10 0 CDAEHM COc1nnc(NC(=O)c2cc(F)c(F)cc2F)[n-]1 ZINC000182998885 148282746 /nfs/dbraw/zinc/28/27/46/148282746.db2.gz BDLONNWCCPMLKW-UHFFFAOYSA-N -1 3 272.186 1.483 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cc(F)c(F)cc2F)n1 ZINC000182998885 148282747 /nfs/dbraw/zinc/28/27/47/148282747.db2.gz BDLONNWCCPMLKW-UHFFFAOYSA-N -1 3 272.186 1.483 10 0 CDAEHM COc1nc(NC(=O)c2cc(F)c(F)cc2F)n[n-]1 ZINC000182998885 148282750 /nfs/dbraw/zinc/28/27/50/148282750.db2.gz BDLONNWCCPMLKW-UHFFFAOYSA-N -1 3 272.186 1.483 10 0 CDAEHM C[C@H](Sc1ccccn1)C(=O)NCc1ncccc1[O-] ZINC000352515681 155241284 /nfs/dbraw/zinc/24/12/84/155241284.db2.gz HRHSSGITWHDGGV-JTQLQIEISA-N -1 3 289.360 1.979 10 0 CDAEHM Cc1[nH]c(=O)ccc1C(=O)NCc1ncccc1[O-] ZINC000352516287 155243038 /nfs/dbraw/zinc/24/30/38/155243038.db2.gz KTDSURJWFJXVJF-UHFFFAOYSA-N -1 3 259.265 1.126 10 0 CDAEHM CCCn1nc(C)c(C(=O)NCc2ncccc2[O-])c1C ZINC000352517169 155243187 /nfs/dbraw/zinc/24/31/87/155243187.db2.gz ONIGYIKIFASXRJ-UHFFFAOYSA-N -1 3 288.351 1.941 10 0 CDAEHM O=C(CNC(=O)C1CCCCC1)NCc1ncccc1[O-] ZINC000352518723 155244679 /nfs/dbraw/zinc/24/46/79/155244679.db2.gz ZALZOCFKSLEKIV-UHFFFAOYSA-N -1 3 291.351 1.100 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](CO)C2)c1 ZINC000334889507 150040525 /nfs/dbraw/zinc/04/05/25/150040525.db2.gz ZXQLPQBYEGMYGH-GHMZBOCLSA-N -1 3 289.422 1.886 10 0 CDAEHM Cc1cccc(C(=O)NC2(CF)CCOCC2)c1[O-] ZINC000334990807 150158514 /nfs/dbraw/zinc/15/85/14/150158514.db2.gz IDVJGSBIDPKBPI-UHFFFAOYSA-N -1 3 267.300 1.949 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)N1C[C@@H]2C[C@H]1CS2 ZINC000335138196 150328480 /nfs/dbraw/zinc/32/84/80/150328480.db2.gz GLRJCNVBVLMXQK-UWVGGRQHSA-N -1 3 267.325 1.790 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](CO)C2CCCC2)o1 ZINC000352585140 155286970 /nfs/dbraw/zinc/28/69/70/155286970.db2.gz ALMATLUWADXTTJ-NSHDSACASA-N -1 3 273.354 1.417 10 0 CDAEHM Cn1nccc1CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000352610370 155302567 /nfs/dbraw/zinc/30/25/67/155302567.db2.gz POPRSZMVQIWVOB-UHFFFAOYSA-N -1 3 282.307 1.135 10 0 CDAEHM COc1nnc(NC(=O)[C@H](c2ccccc2)n2cccn2)[n-]1 ZINC000352649035 155323607 /nfs/dbraw/zinc/32/36/07/155323607.db2.gz WHBUVTRBJMKESC-NSHDSACASA-N -1 3 298.306 1.238 10 0 CDAEHM COc1nc(NC(=O)[C@H](c2ccccc2)n2cccn2)n[n-]1 ZINC000352649035 155323609 /nfs/dbraw/zinc/32/36/09/155323609.db2.gz WHBUVTRBJMKESC-NSHDSACASA-N -1 3 298.306 1.238 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H](c2ccccc2)n2cccn2)n1 ZINC000352649035 155323613 /nfs/dbraw/zinc/32/36/13/155323613.db2.gz WHBUVTRBJMKESC-NSHDSACASA-N -1 3 298.306 1.238 10 0 CDAEHM CCOC(=O)[C@H](CCC(C)(C)C)[N-]S(=O)(=O)CC ZINC000344023754 152393654 /nfs/dbraw/zinc/39/36/54/152393654.db2.gz ZLBXBDYBGHALHH-JTQLQIEISA-N -1 3 279.402 1.684 10 0 CDAEHM CCOC(=O)c1ccc(CNCc2ncccc2[O-])o1 ZINC000349295874 154083250 /nfs/dbraw/zinc/08/32/50/154083250.db2.gz KQUFAJLLZZDWPK-UHFFFAOYSA-N -1 3 276.292 1.847 10 0 CDAEHM Cc1ccc(CNC(=O)NCc2ncccc2[O-])cn1 ZINC000349341205 154093506 /nfs/dbraw/zinc/09/35/06/154093506.db2.gz JXKFRDICJMHRFM-UHFFFAOYSA-N -1 3 272.308 1.490 10 0 CDAEHM O=C(NCCc1ccsc1)NCc1ncccc1[O-] ZINC000349356180 154097353 /nfs/dbraw/zinc/09/73/53/154097353.db2.gz QAAZGLVRTIHMOO-UHFFFAOYSA-N -1 3 277.349 1.891 10 0 CDAEHM C[C@H](NC(=O)NCc1ncccc1[O-])[C@H]1CCCOC1 ZINC000349813430 154226319 /nfs/dbraw/zinc/22/63/19/154226319.db2.gz OJDLPEZQBDTKAZ-QWRGUYRKSA-N -1 3 279.340 1.402 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)cn1 ZINC000352330566 155099365 /nfs/dbraw/zinc/09/93/65/155099365.db2.gz NABJGQQECYCDON-UHFFFAOYSA-N -1 3 297.302 1.524 10 0 CDAEHM Cc1ccc2ncnc(N3CCc4nc[n-]c(=O)c4C3)c2c1 ZINC000179040915 292399480 /nfs/dbraw/zinc/39/94/80/292399480.db2.gz JGXPISHIFAPVHP-UHFFFAOYSA-N -1 3 293.330 1.584 10 0 CDAEHM N[C@@H]1CN(C(=O)c2cc(F)c([O-])c(F)c2)CC[C@H]1F ZINC000662750671 413425414 /nfs/dbraw/zinc/42/54/14/413425414.db2.gz XESOHXHSLRKNLX-GMSGAONNSA-N -1 3 274.242 1.182 10 0 CDAEHM CCc1cnc(S(=O)(=O)Cc2cncs2)[n-]1 ZINC000656556452 413432106 /nfs/dbraw/zinc/43/21/06/413432106.db2.gz VALHWFITMJGTOP-UHFFFAOYSA-N -1 3 257.340 1.403 10 0 CDAEHM CCc1c[n-]c(S(=O)(=O)Cc2cncs2)n1 ZINC000656556452 413432113 /nfs/dbraw/zinc/43/21/13/413432113.db2.gz VALHWFITMJGTOP-UHFFFAOYSA-N -1 3 257.340 1.403 10 0 CDAEHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(N)=S)N2 ZINC000025185841 287247079 /nfs/dbraw/zinc/24/70/79/287247079.db2.gz UVWFEYOHPLEJSI-KCRUCZTKSA-N -1 3 281.303 1.589 10 0 CDAEHM O=S(=O)(NCc1ccncc1)c1cccc([O-])c1 ZINC000019733631 170847631 /nfs/dbraw/zinc/84/76/31/170847631.db2.gz SUOXSDKTNAZHHK-UHFFFAOYSA-N -1 3 264.306 1.266 10 0 CDAEHM COC(=O)Cc1csc(NC(=O)c2ccc([O-])cc2)n1 ZINC000035160710 172019512 /nfs/dbraw/zinc/01/95/12/172019512.db2.gz 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CDAEHM O=C(NCCC1CC(O)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000555760712 290237062 /nfs/dbraw/zinc/23/70/62/290237062.db2.gz QTCGWXLTJATCLJ-UHFFFAOYSA-N -1 3 286.331 1.419 10 0 CDAEHM CC1(c2cc(=NC(=O)c3cnccn3)[n-]o2)CCCC1 ZINC000556110177 290254044 /nfs/dbraw/zinc/25/40/44/290254044.db2.gz SDHYMDXHCGSBBI-UHFFFAOYSA-N -1 3 272.308 1.971 10 0 CDAEHM Cc1n[n-]c(=NC(=O)N2CCN(C3CC3)C[C@H](C)C2)s1 ZINC000556523482 290270991 /nfs/dbraw/zinc/27/09/91/290270991.db2.gz LGZGILIJZGBTQM-VIFPVBQESA-N -1 3 295.412 1.216 10 0 CDAEHM C[C@H](C1CC1)n1cc([N-]S(=O)(=O)N2CCC2)cn1 ZINC000556800110 290300578 /nfs/dbraw/zinc/30/05/78/290300578.db2.gz AQBRKLBEMGHXHT-SECBINFHSA-N -1 3 270.358 1.217 10 0 CDAEHM O=C(CCOCC1CC1)N=c1cc2ccccn2[n-]1 ZINC000557530288 290350812 /nfs/dbraw/zinc/35/08/12/290350812.db2.gz LCBWDLVEFLHSTL-UHFFFAOYSA-N -1 3 259.309 1.511 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C[C@H]2CCCSC2)c1 ZINC000557864391 290371805 /nfs/dbraw/zinc/37/18/05/290371805.db2.gz RWNJOGNZQWCRNZ-SNVBAGLBSA-N -1 3 289.426 1.325 10 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/nfs/dbraw/zinc/92/17/30/316921730.db2.gz MLSKGUGKRUYKPI-WDEREUQCSA-N -1 3 293.429 1.930 10 0 CDAEHM COC1([C@H](C)[N-]S(=O)(=O)c2cscn2)CCC1 ZINC000576699465 317189044 /nfs/dbraw/zinc/18/90/44/317189044.db2.gz PLIJTCTWLLKJKO-QMMMGPOBSA-N -1 3 276.383 1.379 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@H]2C[C@H](C)n3ccnc32)c1 ZINC000577707068 317384946 /nfs/dbraw/zinc/38/49/46/317384946.db2.gz TUHDNRYOCCTTQF-UWVGGRQHSA-N -1 3 295.368 1.084 10 0 CDAEHM COc1nc(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)n[n-]1 ZINC000578725622 324005407 /nfs/dbraw/zinc/00/54/07/324005407.db2.gz XWTVMGGYMILRNR-YGRLFVJLSA-N -1 3 272.308 1.946 10 0 CDAEHM COc1nnc(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)[n-]1 ZINC000578725622 324005411 /nfs/dbraw/zinc/00/54/11/324005411.db2.gz XWTVMGGYMILRNR-YGRLFVJLSA-N -1 3 272.308 1.946 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)n1 ZINC000578725622 324005414 /nfs/dbraw/zinc/00/54/14/324005414.db2.gz XWTVMGGYMILRNR-YGRLFVJLSA-N -1 3 272.308 1.946 10 0 CDAEHM C[C@]1(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)CCCCO1 ZINC000579446474 324186723 /nfs/dbraw/zinc/18/67/23/324186723.db2.gz RTYALNLMFPHCLN-OAHLLOKOSA-N -1 3 286.335 1.791 10 0 CDAEHM COc1cc(=NC(=O)N2CCCC(C)(C)C2)[n-]n1C ZINC000580142869 324376230 /nfs/dbraw/zinc/37/62/30/324376230.db2.gz ZITCBIJTXDJCQB-UHFFFAOYSA-N -1 3 266.345 1.505 10 0 CDAEHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCCN(C)C2)s1 ZINC000680858718 482590625 /nfs/dbraw/zinc/59/06/25/482590625.db2.gz ACXNTVKBZIFTCF-VIFPVBQESA-N -1 3 289.426 1.078 10 0 CDAEHM COC[C@](C)(CO)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000681076710 482689106 /nfs/dbraw/zinc/68/91/06/482689106.db2.gz XDGAEHOVQSDIHP-HNNXBMFYSA-N -1 3 281.352 1.643 10 0 CDAEHM O=C(N[C@@H]1CCCC1(F)F)c1ccc2n[n-]nc2c1 ZINC000673377648 482723273 /nfs/dbraw/zinc/72/32/73/482723273.db2.gz HUVLRWWYUPWPKJ-SNVBAGLBSA-N -1 3 266.251 1.876 10 0 CDAEHM Cc1noc(C(F)F)c1C(=O)NCc1ncccc1[O-] ZINC000684349835 482766698 /nfs/dbraw/zinc/76/66/98/482766698.db2.gz FQVLHOANXWVGPA-UHFFFAOYSA-N -1 3 283.234 1.951 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)[C@H]2O)o1 ZINC000334909845 482784977 /nfs/dbraw/zinc/78/49/77/482784977.db2.gz GQYBGSISJSITAE-SCZZXKLOSA-N -1 3 295.307 1.415 10 0 CDAEHM CSc1ccc([O-])c(C(=O)N[C@H](C)Cn2cncn2)c1 ZINC000666598637 482799747 /nfs/dbraw/zinc/79/97/47/482799747.db2.gz QDEJLJJUYUUCAW-SECBINFHSA-N -1 3 292.364 1.524 10 0 CDAEHM O=C(Nc1nnc(SCCO)[n-]1)C1(C(F)(F)F)CC1 ZINC000677911366 482836610 /nfs/dbraw/zinc/83/66/10/482836610.db2.gz BSEJITYIUVYVGS-UHFFFAOYSA-N -1 3 296.274 1.170 10 0 CDAEHM O=C(Nc1nc(SCCO)n[n-]1)C1(C(F)(F)F)CC1 ZINC000677911366 482836616 /nfs/dbraw/zinc/83/66/16/482836616.db2.gz BSEJITYIUVYVGS-UHFFFAOYSA-N -1 3 296.274 1.170 10 0 CDAEHM O=C(Nc1n[n-]c(SCCO)n1)C1(C(F)(F)F)CC1 ZINC000677911366 482836618 /nfs/dbraw/zinc/83/66/18/482836618.db2.gz BSEJITYIUVYVGS-UHFFFAOYSA-N -1 3 296.274 1.170 10 0 CDAEHM CC1(C)CCCN[C@H]1C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000232915222 482877414 /nfs/dbraw/zinc/87/74/14/482877414.db2.gz NNVKFYYXAAWXEK-NSHDSACASA-N -1 3 282.384 1.478 10 0 CDAEHM c1cc(-c2noc(CCOCC3CC3)n2)cc2n[n-]nc12 ZINC000351453534 482927060 /nfs/dbraw/zinc/92/70/60/482927060.db2.gz GUHLXOGODUTTGD-UHFFFAOYSA-N -1 3 285.307 1.977 10 0 CDAEHM CCN1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000233481338 482935852 /nfs/dbraw/zinc/93/58/52/482935852.db2.gz WNPHWWHGVLSUFE-WOPDTQHZSA-N -1 3 268.357 1.088 10 0 CDAEHM Cc1cnc(C(=O)Nc2cnn(-c3ccncc3)c2)c([O-])c1 ZINC000681724518 482976337 /nfs/dbraw/zinc/97/63/37/482976337.db2.gz CFERLHPTSXCLJV-UHFFFAOYSA-N -1 3 295.302 1.929 10 0 CDAEHM COc1ccc(NC(=O)c2cccc3nn[n-]c32)nc1 ZINC000682161975 483153259 /nfs/dbraw/zinc/15/32/59/483153259.db2.gz SVKJRMWHISNCGE-UHFFFAOYSA-N -1 3 269.264 1.614 10 0 CDAEHM COc1ccc(NC(=O)c2cccc3[n-]nnc32)nc1 ZINC000682161975 483153264 /nfs/dbraw/zinc/15/32/64/483153264.db2.gz SVKJRMWHISNCGE-UHFFFAOYSA-N -1 3 269.264 1.614 10 0 CDAEHM COc1ccc(NC(=O)c2cccc3n[n-]nc32)nc1 ZINC000682161975 483153269 /nfs/dbraw/zinc/15/32/69/483153269.db2.gz SVKJRMWHISNCGE-UHFFFAOYSA-N -1 3 269.264 1.614 10 0 CDAEHM CO[C@H]1CC[C@H](C(=O)Nc2nnc(-c3ccco3)[n-]2)C1 ZINC000668107634 483566748 /nfs/dbraw/zinc/56/67/48/483566748.db2.gz IHKOCHCDNCDIGT-IUCAKERBSA-N -1 3 276.296 1.818 10 0 CDAEHM CO[C@H]1CC[C@H](C(=O)Nc2nc(-c3ccco3)n[n-]2)C1 ZINC000668107634 483566755 /nfs/dbraw/zinc/56/67/55/483566755.db2.gz IHKOCHCDNCDIGT-IUCAKERBSA-N -1 3 276.296 1.818 10 0 CDAEHM CO[C@H]1CC[C@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000668107634 483566761 /nfs/dbraw/zinc/56/67/61/483566761.db2.gz IHKOCHCDNCDIGT-IUCAKERBSA-N -1 3 276.296 1.818 10 0 CDAEHM CSc1ccc([O-])c(C(=O)N2CCNC(=O)CC2)c1 ZINC000668172296 483597351 /nfs/dbraw/zinc/59/73/51/483597351.db2.gz JZYDFEQXOXVNRG-UHFFFAOYSA-N -1 3 280.349 1.076 10 0 CDAEHM CC(C)[C@@H](CN(C)C)NC(=O)C[C@@](C)(C(=O)[O-])C(C)C ZINC000049196713 519793161 /nfs/dbraw/zinc/79/31/61/519793161.db2.gz BVZNWFJWPVDUDU-IUODEOHRSA-N -1 3 286.416 1.826 10 0 CDAEHM CC(C)[C@H](CN(C)C)NC(=O)N(C)C(C)(C)C(=O)[O-] ZINC000061175627 519814118 /nfs/dbraw/zinc/81/41/18/519814118.db2.gz BVOJTXBBZDNXHP-JTQLQIEISA-N -1 3 273.377 1.077 10 0 CDAEHM COc1cc(=NC(=O)[C@H]2CCCCC2(F)F)[n-]n1C ZINC000577816947 518130077 /nfs/dbraw/zinc/13/00/77/518130077.db2.gz JXVQFGVKACHADD-MRVPVSSYSA-N -1 3 273.283 1.615 10 0 CDAEHM CC(C)CN(CC(=O)[O-])C(=O)N[C@H](C)CN1CCCCC1 ZINC000062744265 519711143 /nfs/dbraw/zinc/71/11/43/519711143.db2.gz RRRVRFOSMKMXJK-CYBMUJFWSA-N -1 3 299.415 1.613 10 0 CDAEHM CC(C)[C@@H](CN(C)C)NC(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000049230585 519793385 /nfs/dbraw/zinc/79/33/85/519793385.db2.gz PZRVEVPZHVUVFD-RISCZKNCSA-N -1 3 285.388 1.125 10 0 CDAEHM CCCN1CCN(C[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000062749769 519858636 /nfs/dbraw/zinc/85/86/36/519858636.db2.gz ZZJHBISGBFJHEX-OAHLLOKOSA-N -1 3 276.380 1.882 10 0 CDAEHM CCCC1(C(=O)[O-])CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000068890036 519888762 /nfs/dbraw/zinc/88/87/62/519888762.db2.gz FFCVKRBFZRYWIB-VIFPVBQESA-N -1 3 283.290 1.877 10 0 CDAEHM CCN(C(=O)N(C)[C@@H]1CCCN(C)C1)[C@H](C)CC(=O)[O-] ZINC000061214789 519943002 /nfs/dbraw/zinc/94/30/02/519943002.db2.gz XRHAPORAOSXZIU-VXGBXAGGSA-N -1 3 285.388 1.318 10 0 CDAEHM CCN(CC(=O)N(C)Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000061221364 520302756 /nfs/dbraw/zinc/30/27/56/520302756.db2.gz WBHKSPVAWMMITA-CYBMUJFWSA-N -1 3 292.379 1.688 10 0 CDAEHM CCN(CC(=O)NCc1ccc(F)cc1)[C@H](C)CC(=O)[O-] ZINC000061183484 520337692 /nfs/dbraw/zinc/33/76/92/520337692.db2.gz DNFDSROSRXOMQD-LLVKDONJSA-N -1 3 296.342 1.627 10 0 CDAEHM CCN(CC(=O)Nc1cccc(OC)c1)[C@H](C)CC(=O)[O-] ZINC000061183158 520366877 /nfs/dbraw/zinc/36/68/77/520366877.db2.gz XIRCZRXPAZEEDX-LLVKDONJSA-N -1 3 294.351 1.819 10 0 CDAEHM CCC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@H](N)CC)C1 ZINC000062871238 520944675 /nfs/dbraw/zinc/94/46/75/520944675.db2.gz YTCNLRNLHOIZAL-GXFFZTMASA-N -1 3 256.346 1.217 10 0 CDAEHM CCOc1cccc([C@H](CC(=O)[O-])N2CCN(C)CC2)c1 ZINC000057605537 521422832 /nfs/dbraw/zinc/42/28/32/521422832.db2.gz ZYHRMHBYZQSIDT-HNNXBMFYSA-N -1 3 292.379 1.849 10 0 CDAEHM CN(C)CCN(C)c1cc(C(=O)[O-])c2ccccc2n1 ZINC000069051853 521747858 /nfs/dbraw/zinc/74/78/58/521747858.db2.gz MXGUKINAVIJJCS-UHFFFAOYSA-N -1 3 273.336 1.931 10 0 CDAEHM CN(C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000061643234 521863847 /nfs/dbraw/zinc/86/38/47/521863847.db2.gz BGOWFJSSPLXQSK-AGIUHOORSA-N -1 3 282.384 1.430 10 0 CDAEHM CN(C)C[C@H]1CCCN1C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000061643225 521863882 /nfs/dbraw/zinc/86/38/82/521863882.db2.gz QTOPXEZXHLSCIE-UPJWGTAASA-N -1 3 280.368 1.206 10 0 CDAEHM CN(Cc1ccc(C(N)=O)cc1F)C(C)(C)C(=O)[O-] ZINC000061173352 523219729 /nfs/dbraw/zinc/21/97/29/523219729.db2.gz PGSIBTVLVUSGQF-UHFFFAOYSA-N -1 3 268.288 1.220 10 0 CDAEHM CO[C@@H](C(=O)[N-]c1onc(C)c1C)c1cnn(C)c1 ZINC000336969956 523337707 /nfs/dbraw/zinc/33/77/07/523337707.db2.gz JUMWSDMBNMIUEC-SNVBAGLBSA-N -1 3 264.285 1.351 10 0 CDAEHM CO[C@@H](C)c1nsc(=NC[C@H](C2CC2)N(C)C)[n-]1 ZINC000337912390 523460855 /nfs/dbraw/zinc/46/08/55/523460855.db2.gz KNRXIQMVGGLEDD-WCBMZHEXSA-N -1 3 270.402 1.420 10 0 CDAEHM CO[C@@H](C)c1nc(=NC[C@H](C2CC2)N(C)C)s[n-]1 ZINC000337912390 523460860 /nfs/dbraw/zinc/46/08/60/523460860.db2.gz KNRXIQMVGGLEDD-WCBMZHEXSA-N -1 3 270.402 1.420 10 0 CDAEHM CN(Cc1cnn(C)c1)C[C@H](C(=O)[O-])c1ccccc1 ZINC000062755334 523517137 /nfs/dbraw/zinc/51/71/37/523517137.db2.gz IPFTVAHFECGDJF-AWEZNQCLSA-N -1 3 273.336 1.720 10 0 CDAEHM CC[S@@](=O)c1ccccc1C(=O)Nc1nnc(OC)[n-]1 ZINC000182992294 523639469 /nfs/dbraw/zinc/63/94/69/523639469.db2.gz SXJYOUZVYCZKOK-HXUWFJFHSA-N -1 3 294.336 1.193 10 0 CDAEHM CC[S@@](=O)c1ccccc1C(=O)Nc1n[n-]c(OC)n1 ZINC000182992294 523639472 /nfs/dbraw/zinc/63/94/72/523639472.db2.gz SXJYOUZVYCZKOK-HXUWFJFHSA-N -1 3 294.336 1.193 10 0 CDAEHM CC[S@@](=O)c1ccccc1C(=O)Nc1nc(OC)n[n-]1 ZINC000182992294 523639483 /nfs/dbraw/zinc/63/94/83/523639483.db2.gz SXJYOUZVYCZKOK-HXUWFJFHSA-N -1 3 294.336 1.193 10 0 CDAEHM CCc1cc(SCC(=O)[O-])n(CCN(C)C)n1 ZINC000054433768 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CDAEHM C[C@@H]1CC[C@H](O)CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000399252170 739050756 /nfs/dbraw/zinc/05/07/56/739050756.db2.gz PIIZSMVWZFMTPA-MNOVXSKESA-N -1 3 286.331 1.514 10 0 CDAEHM O[C@@H](c1nccn1Cc1nnn[n-]1)C1CCCCC1 ZINC000849948073 739051334 /nfs/dbraw/zinc/05/13/34/739051334.db2.gz ONHPKBYHMXMYFK-LLVKDONJSA-N -1 3 262.317 1.058 10 0 CDAEHM O[C@@H](c1nccn1Cc1nn[n-]n1)C1CCCCC1 ZINC000849948073 739051337 /nfs/dbraw/zinc/05/13/37/739051337.db2.gz ONHPKBYHMXMYFK-LLVKDONJSA-N -1 3 262.317 1.058 10 0 CDAEHM Cc1nccc(COC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)n1 ZINC000795497307 739104923 /nfs/dbraw/zinc/10/49/23/739104923.db2.gz OMZRCVIVSCPRSG-UHFFFAOYSA-N -1 3 297.270 1.026 10 0 CDAEHM COCc1csc(NC(=O)[N-]OCC(C)(C)O)n1 ZINC000798200267 739205753 /nfs/dbraw/zinc/20/57/53/739205753.db2.gz PTHSHCBQLKJRBN-UHFFFAOYSA-N -1 3 275.330 1.114 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCS[C@H](C(F)(F)F)C2)n1 ZINC000932081161 739218867 /nfs/dbraw/zinc/21/88/67/739218867.db2.gz QQSYLLYGGDCNRP-QMMMGPOBSA-N -1 3 293.314 1.970 10 0 CDAEHM C[C@H](O)CCCN1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001620551292 1165657686 /nfs/dbraw/zinc/65/76/86/1165657686.db2.gz MFIYVXHFQFJONG-VIFPVBQESA-N -1 3 263.341 1.536 10 0 CDAEHM O=C(CCc1nnc(C(F)F)o1)[N-]OC1CCOCC1 ZINC001625712551 1165923326 /nfs/dbraw/zinc/92/33/26/1165923326.db2.gz RWYSXRSZTWDLNP-UHFFFAOYSA-N -1 3 291.254 1.167 10 0 CDAEHM CC(C)(CNC(=O)c1ccccc1[O-])n1ccnc1 ZINC000692556602 899573773 /nfs/dbraw/zinc/57/37/73/899573773.db2.gz PGALKZXYYJUPAM-UHFFFAOYSA-N -1 3 259.309 1.754 10 0 CDAEHM COC(=O)c1ccc(C(=O)N2C[C@@H](C)Cn3nccc32)[n-]1 ZINC000922205357 921351678 /nfs/dbraw/zinc/35/16/78/921351678.db2.gz KXJGLVVPGYGNRC-SECBINFHSA-N -1 3 288.307 1.294 10 0 CDAEHM CCOc1nnc(NC(=O)COc2ccc(F)cc2F)[n-]1 ZINC000228782259 911972779 /nfs/dbraw/zinc/97/27/79/911972779.db2.gz CAMUMIFESSBOKK-UHFFFAOYSA-N -1 3 298.249 1.499 10 0 CDAEHM CCOc1nc(NC(=O)COc2ccc(F)cc2F)n[n-]1 ZINC000228782259 911972792 /nfs/dbraw/zinc/97/27/92/911972792.db2.gz CAMUMIFESSBOKK-UHFFFAOYSA-N -1 3 298.249 1.499 10 0 CDAEHM CCOc1n[n-]c(NC(=O)COc2ccc(F)cc2F)n1 ZINC000228782259 911972805 /nfs/dbraw/zinc/97/28/05/911972805.db2.gz CAMUMIFESSBOKK-UHFFFAOYSA-N -1 3 298.249 1.499 10 0 CDAEHM COC(C)(C)[C@H](C)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000921422936 914921294 /nfs/dbraw/zinc/92/12/94/914921294.db2.gz IDABGUONVOEOOB-VIFPVBQESA-N -1 3 261.343 1.680 10 0 CDAEHM O=C(Nc1ccncc1[O-])C1CC2(CC2(F)F)C1 ZINC000831345798 936505981 /nfs/dbraw/zinc/50/59/81/936505981.db2.gz CSXQPLQRCQAMRU-UHFFFAOYSA-N -1 3 254.236 1.583 10 0 CDAEHM CCc1ccc(C(=O)N[C@H]2CC[C@H]2C(=O)OC)c([O-])c1 ZINC001413629686 936646556 /nfs/dbraw/zinc/64/65/56/936646556.db2.gz WRPPJXJAIVKEGY-PWSUYJOCSA-N -1 3 277.320 1.636 10 0 CDAEHM Cc1[nH]ccc1C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001413714120 936714889 /nfs/dbraw/zinc/71/48/89/936714889.db2.gz RZTHRIOUYMQEIE-ZCFIWIBFSA-N -1 3 287.245 1.951 10 0 CDAEHM CCO[N-]C(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001141289095 936840684 /nfs/dbraw/zinc/84/06/84/936840684.db2.gz 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/nfs/dbraw/zinc/46/60/84/930466084.db2.gz CDQNVGQBTPMFBS-UWVGGRQHSA-N -1 3 266.316 1.696 10 0 CDAEHM Cc1noc(C)c1C[C@H](C)NC(=O)c1cnncc1[O-] ZINC001411798375 932034187 /nfs/dbraw/zinc/03/41/87/932034187.db2.gz HPJAJDPUSLUIFY-ZETCQYMHSA-N -1 3 276.296 1.148 10 0 CDAEHM O=C(NC[C@H]1CCC2(CCCCC2)O1)c1cnncc1[O-] ZINC001412023085 932217758 /nfs/dbraw/zinc/21/77/58/932217758.db2.gz YUMYSIOMWVSFDE-LLVKDONJSA-N -1 3 291.351 1.794 10 0 CDAEHM CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cnncc1[O-] ZINC001412114585 932272078 /nfs/dbraw/zinc/27/20/78/932272078.db2.gz MRXLGNQGUUHQDJ-KOLCDFICSA-N -1 3 293.323 1.034 10 0 CDAEHM O=C([O-])COc1ccc(CCCNCc2ncc[nH]2)cc1 ZINC001119614958 937739416 /nfs/dbraw/zinc/73/94/16/937739416.db2.gz CFCVNWDQBUYENG-UHFFFAOYSA-N -1 3 289.335 1.596 10 0 CDAEHM CC[C@@]1(C(=O)[O-])CCCN(Cc2cc(C)n(C)n2)C1 ZINC000688104480 934547036 /nfs/dbraw/zinc/54/70/36/934547036.db2.gz VCBHLVKKZZBEDE-CQSZACIVSA-N -1 3 265.357 1.805 10 0 CDAEHM Cc1cnc([C@@H](C)N2CCC(Cc3nn[n-]n3)CC2)o1 ZINC001413049215 935265634 /nfs/dbraw/zinc/26/56/34/935265634.db2.gz OPKMFJYYIPLWDH-SNVBAGLBSA-N -1 3 276.344 1.512 10 0 CDAEHM CC(C)[C@H]1CN(C(=O)c2cccc([O-])c2F)CCN1C ZINC001413415572 936023662 /nfs/dbraw/zinc/02/36/62/936023662.db2.gz APWBYCISGBUAGC-GFCCVEGCSA-N -1 3 280.343 1.944 10 0 CDAEHM CC(C)[C@@H](CO)O[N-]C(=O)Cc1cccc2nsnc21 ZINC001123803634 936225261 /nfs/dbraw/zinc/22/52/61/936225261.db2.gz YOHLQQCUTQYTED-LLVKDONJSA-N -1 3 295.364 1.299 10 0 CDAEHM Cc1nccc(N2Cc3nc(C4CC4)[n-]c(=O)c3C2)n1 ZINC001164047181 939397197 /nfs/dbraw/zinc/39/71/97/939397197.db2.gz YISMLQVWIHJAKY-UHFFFAOYSA-N -1 3 269.308 1.678 10 0 CDAEHM COc1cccc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001164337343 939458519 /nfs/dbraw/zinc/45/85/19/939458519.db2.gz BIPBKMFHVUBPKO-UHFFFAOYSA-N -1 3 291.332 1.410 10 0 CDAEHM CCC[C@H](C[N-]S(=O)(=O)c1cccnc1F)OC ZINC000401778401 940879689 /nfs/dbraw/zinc/87/96/89/940879689.db2.gz FWYLPYVANAYNBN-SECBINFHSA-N -1 3 276.333 1.314 10 0 CDAEHM C[C@H]([N-]S(=O)(=O)c1cccnc1F)[C@@H]1CCCOC1 ZINC000401837421 940881662 /nfs/dbraw/zinc/88/16/62/940881662.db2.gz PEIJIRYPIQEZTC-VHSXEESVSA-N -1 3 288.344 1.314 10 0 CDAEHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cccnc2F)CO1 ZINC000401821395 940882102 /nfs/dbraw/zinc/88/21/02/940882102.db2.gz KJMNJGLUOOTBJY-QMMMGPOBSA-N -1 3 274.317 1.067 10 0 CDAEHM O=S(=O)([N-][C@H]1CCC[C@H](CO)C1)c1cccnc1F ZINC000401830007 940882242 /nfs/dbraw/zinc/88/22/42/940882242.db2.gz NKOWCDNUNURBAN-UWVGGRQHSA-N -1 3 288.344 1.050 10 0 CDAEHM O=S(=O)([N-][C@@H]1CCCOCC1)c1cccnc1F ZINC000401853932 940883591 /nfs/dbraw/zinc/88/35/91/940883591.db2.gz FBZVNMGMLMTPMI-SECBINFHSA-N -1 3 274.317 1.068 10 0 CDAEHM COCC[C@@H](COC)NC(=O)c1c([O-])cccc1OC ZINC000405345317 940984402 /nfs/dbraw/zinc/98/44/02/940984402.db2.gz KMQLFKOCRUFZQI-JTQLQIEISA-N -1 3 283.324 1.182 10 0 CDAEHM CN(CCCNC(=O)C(C)(C)F)C(=O)c1ccccc1[O-] ZINC001283479065 942908615 /nfs/dbraw/zinc/90/86/15/942908615.db2.gz GDGKODHINVHQHB-UHFFFAOYSA-N -1 3 296.342 1.719 10 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CDAEHM CCOC(=O)C(C)(C)O[N-]C(=O)CCOCC1CC1 ZINC001324499906 953416826 /nfs/dbraw/zinc/41/68/26/953416826.db2.gz DOUDPALRBSKTRE-UHFFFAOYSA-N -1 3 273.329 1.193 10 0 CDAEHM COC(=O)Cc1n[n-]c(NC(=O)C=C(C)c2ccco2)n1 ZINC001293873510 954424302 /nfs/dbraw/zinc/42/43/02/954424302.db2.gz GDYDRCKDQRWJPS-SOFGYWHQSA-N -1 3 290.279 1.155 10 0 CDAEHM COC(=O)Cc1nc(NC(=O)C=C(C)c2ccco2)n[n-]1 ZINC001293873510 954424313 /nfs/dbraw/zinc/42/43/13/954424313.db2.gz GDYDRCKDQRWJPS-SOFGYWHQSA-N -1 3 290.279 1.155 10 0 CDAEHM C[C@@H](NC(=O)c1cncnc1)c1nc(C(F)(F)F)n[n-]1 ZINC001364313096 954453728 /nfs/dbraw/zinc/45/37/28/954453728.db2.gz QYLCHYYKPZFIHC-RXMQYKEDSA-N -1 3 286.217 1.105 10 0 CDAEHM C[C@@H](c1cnccn1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001364500499 954695623 /nfs/dbraw/zinc/69/56/23/954695623.db2.gz MFWDKLJWZHWHIB-VIFPVBQESA-N -1 3 283.335 1.926 10 0 CDAEHM O=c1[n-]c(C2CC2)nc2c1CN(CCO[C@@H]1CCOC1)C2 ZINC001364503676 954699854 /nfs/dbraw/zinc/69/98/54/954699854.db2.gz WAPSVOKOGNAFPE-LLVKDONJSA-N -1 3 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XQYXTZXFJZIAFZ-SCZZXKLOSA-N -1 3 296.298 1.388 10 0 CDAEHM CCCC(CCC)C(=O)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000228453727 140194932 /nfs/dbraw/zinc/19/49/32/140194932.db2.gz OBNUTMGTFXGCGG-CQSZACIVSA-N -1 3 281.356 1.013 10 0 CDAEHM CCc1cccc(C(=O)NC[C@H](OC)[C@@H]2CCOC2)c1[O-] ZINC000617135266 344916764 /nfs/dbraw/zinc/91/67/64/344916764.db2.gz LGUWVLIXBFATLW-OCCSQVGLSA-N -1 3 293.363 1.736 10 0 CDAEHM COc1cc(C(=O)N[C@H](CO)C2CCC2)cc(OC)c1[O-] ZINC000617308699 345143437 /nfs/dbraw/zinc/14/34/37/345143437.db2.gz RBORYGDHUPAFEM-LLVKDONJSA-N -1 3 295.335 1.300 10 0 CDAEHM CCc1cc(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)ccc1[O-] ZINC000617447999 345542593 /nfs/dbraw/zinc/54/25/93/345542593.db2.gz UKKPDGBOYXKPTF-BXKDBHETSA-N -1 3 286.335 1.982 10 0 CDAEHM COCC1(N(C)C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000617474312 345552849 /nfs/dbraw/zinc/55/28/49/345552849.db2.gz ICPHTTBODZDNFS-UHFFFAOYSA-N -1 3 286.331 1.779 10 0 CDAEHM CC[C@@](C)(O)CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000081758824 345622430 /nfs/dbraw/zinc/62/24/30/345622430.db2.gz VLROQAJRNQPXBK-MRXNPFEDSA-N -1 3 293.363 1.997 10 0 CDAEHM CO[C@@H]1CCC[C@@H]([C@H](CO)NC(=O)c2ccccc2[O-])C1 ZINC000617526652 345717970 /nfs/dbraw/zinc/71/79/70/345717970.db2.gz CYRJFJYSCRJNMH-BZPMIXESSA-N -1 3 293.363 1.688 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-][C@H]1CCSC1 ZINC000295125001 199357633 /nfs/dbraw/zinc/35/76/33/199357633.db2.gz AGFYYRSIGMLTNR-VIFPVBQESA-N -1 3 288.394 1.264 10 0 CDAEHM CCN1CCC[C@@H](NC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C1 ZINC000085338399 179025087 /nfs/dbraw/zinc/02/50/87/179025087.db2.gz MANXCHBFLVNGII-GRYCIOLGSA-N -1 3 283.372 1.023 10 0 CDAEHM NNc1cc(S(=O)(=O)[N-]c2ccsc2)ccn1 ZINC000085535768 179092594 /nfs/dbraw/zinc/09/25/94/179092594.db2.gz ZIFIQNNMGOIDMX-UHFFFAOYSA-N -1 3 270.339 1.230 10 0 CDAEHM COc1nnc(NC(=O)[C@H]2CCc3ccccc3C2)[n-]1 ZINC000223545451 346478577 /nfs/dbraw/zinc/47/85/77/346478577.db2.gz SZIWAWLLJGOBAX-NSHDSACASA-N -1 3 272.308 1.557 10 0 CDAEHM COc1nc(NC(=O)[C@H]2CCc3ccccc3C2)n[n-]1 ZINC000223545451 346478578 /nfs/dbraw/zinc/47/85/78/346478578.db2.gz SZIWAWLLJGOBAX-NSHDSACASA-N -1 3 272.308 1.557 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H]2CCc3ccccc3C2)n1 ZINC000223545451 346478582 /nfs/dbraw/zinc/47/85/82/346478582.db2.gz SZIWAWLLJGOBAX-NSHDSACASA-N -1 3 272.308 1.557 10 0 CDAEHM Cc1ccc(C(=O)N2CC[C@H](O)C(F)(F)C2)c([O-])c1 ZINC000617808874 346586293 /nfs/dbraw/zinc/58/62/93/346586293.db2.gz FCAGMCCJBCTEPH-NSHDSACASA-N -1 3 271.263 1.543 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)Nc1ccc(F)cc1Cl ZINC000085811612 179177288 /nfs/dbraw/zinc/17/72/88/179177288.db2.gz RPZPBJPUBCCHKK-SSDOTTSWSA-N -1 3 260.652 1.220 10 0 CDAEHM CCN(C(=O)[C@H](N)CC(=O)[O-])c1cccc2ccccc21 ZINC000085811195 179177424 /nfs/dbraw/zinc/17/74/24/179177424.db2.gz PBRSYRVDTNYHTM-CYBMUJFWSA-N -1 3 286.331 1.995 10 0 CDAEHM C[C@H](Cc1cccc(Cl)c1)NC(=O)[C@@H](N)CC(=O)[O-] ZINC000085813579 179178138 /nfs/dbraw/zinc/17/81/38/179178138.db2.gz FAEGRLQUOIXIKA-KCJUWKMLSA-N -1 3 284.743 1.189 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)Nc1cc(Cl)ccc1F ZINC000085811701 179178188 /nfs/dbraw/zinc/17/81/88/179178188.db2.gz OGLHYSMHHBPJHP-ZETCQYMHSA-N -1 3 260.652 1.220 10 0 CDAEHM CN(Cc1ccc(Cl)s1)C(=O)[C@H](N)CCC(=O)[O-] ZINC000085820396 179184173 /nfs/dbraw/zinc/18/41/73/179184173.db2.gz CEPDNMQHIZRZPS-MRVPVSSYSA-N -1 3 290.772 1.552 10 0 CDAEHM CCN(Cc1cccc(F)c1)C(=O)[C@H](N)CCC(=O)[O-] ZINC000085838506 179184258 /nfs/dbraw/zinc/18/42/58/179184258.db2.gz YAHZIFWOWXWMSH-GFCCVEGCSA-N -1 3 282.315 1.366 10 0 CDAEHM C[C@@H](NC(=O)[C@H](N)CCC(=O)[O-])c1cccc(Cl)c1 ZINC000085840842 179185385 /nfs/dbraw/zinc/18/53/85/179185385.db2.gz XGDQYAAQPNVXEE-LDYMZIIASA-N -1 3 284.743 1.709 10 0 CDAEHM CC[C@@H](C)Oc1cccc(NC(=O)[C@@H](N)CCC(=O)[O-])c1 ZINC000085844068 179185778 /nfs/dbraw/zinc/18/57/78/179185778.db2.gz OXAVYGZHFGOKSK-MFKMUULPSA-N -1 3 294.351 1.995 10 0 CDAEHM CCOc1ccc(NC(=O)[C@H](N)CC(=O)[O-])cc1Cl ZINC000085815076 179179413 /nfs/dbraw/zinc/17/94/13/179179413.db2.gz WZTLWLDZEBVWFL-SECBINFHSA-N -1 3 286.715 1.479 10 0 CDAEHM CC(C)[C@H](NC(=O)[C@@H](N)CC(=O)[O-])c1cccs1 ZINC000085814107 179179595 /nfs/dbraw/zinc/17/95/95/179179595.db2.gz YAEQRIITPLTGJG-KWQFWETISA-N -1 3 270.354 1.363 10 0 CDAEHM O=C([O-])Cc1ccc([S@](=O)CCCN2CCCC2)cc1 ZINC000085960740 179204147 /nfs/dbraw/zinc/20/41/47/179204147.db2.gz UYBKELONBRGTMN-FQEVSTJZSA-N -1 3 295.404 1.907 10 0 CDAEHM O=c1nc(CNC[C@H]2CCCC[C@H]2O)[n-]c2ccsc21 ZINC000085986303 179212082 /nfs/dbraw/zinc/21/20/82/179212082.db2.gz MCECYQDHNVHGFC-MWLCHTKSSA-N -1 3 293.392 1.625 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)[C@@H]2C)c(N)n1 ZINC000086069432 179224382 /nfs/dbraw/zinc/22/43/82/179224382.db2.gz UVSMOCSYBQYEQV-KXUCPTDWSA-N -1 3 286.401 1.198 10 0 CDAEHM C[C@@H](CC(=O)Nc1ccncc1[O-])[C@@H]1CCCO1 ZINC000613085823 347389153 /nfs/dbraw/zinc/38/91/53/347389153.db2.gz BPUNJYSGZCEJCP-CABZTGNLSA-N -1 3 250.298 1.353 10 0 CDAEHM CC[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2c[nH]c(C)n2)[C@@H]1C ZINC000086103992 179230753 /nfs/dbraw/zinc/23/07/53/179230753.db2.gz LGYTXJSZFAAVAA-FBIMIBRVSA-N -1 3 271.386 1.821 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CC[C@@H](O)C(F)(F)C2)c1 ZINC000617815734 347436876 /nfs/dbraw/zinc/43/68/76/347436876.db2.gz FANUYUKDKCDSEL-LLVKDONJSA-N -1 3 287.262 1.243 10 0 CDAEHM COc1cc(=NC(=O)[C@]2(C)CC=C(C)CC2)[n-]n1C ZINC000613615135 347801929 /nfs/dbraw/zinc/80/19/29/347801929.db2.gz HFIUVYSWZMVXQK-CQSZACIVSA-N -1 3 263.341 1.926 10 0 CDAEHM CC[C@H]1CN(C)CCCN1C(=O)c1ncc(C)cc1[O-] ZINC000614330886 348078613 /nfs/dbraw/zinc/07/86/13/348078613.db2.gz NOCMRKRGIKQWFU-LBPRGKRZSA-N -1 3 277.368 1.652 10 0 CDAEHM O=C(NCc1ncccc1[O-])[C@@H]1COC[C@@H]1c1ccccc1 ZINC000614254089 348058710 /nfs/dbraw/zinc/05/87/10/348058710.db2.gz CPZSVKTYMFDIMY-ZIAGYGMSSA-N -1 3 298.342 1.834 10 0 CDAEHM Cc1ccc(CCC(=O)NCCCc2cc(=O)[nH][n-]2)cc1 ZINC000614921740 348273240 /nfs/dbraw/zinc/27/32/40/348273240.db2.gz KBBRURRONUQNDW-UHFFFAOYSA-N -1 3 287.363 1.700 10 0 CDAEHM CC1(C)CCC[C@@](O)(C(=O)NCCCc2cc(=O)[nH][n-]2)C1 ZINC000614923291 348274918 /nfs/dbraw/zinc/27/49/18/348274918.db2.gz RUTRNBFQTRDFGJ-HNNXBMFYSA-N -1 3 295.383 1.090 10 0 CDAEHM COc1cccc2c1[C@@H](C(=O)[N-]c1nnc3[nH]cnn13)CC2 ZINC000614993132 348296080 /nfs/dbraw/zinc/29/60/80/348296080.db2.gz CLQXMORAMPEJIW-VIFPVBQESA-N -1 3 298.306 1.130 10 0 CDAEHM O=C([N-]c1nnc2[nH]cnn12)[C@H]1C[C@H]1C1CCCC1 ZINC000614997114 348298838 /nfs/dbraw/zinc/29/88/38/348298838.db2.gz SBROFGAVVPQAHT-IUCAKERBSA-N -1 3 260.301 1.217 10 0 CDAEHM CC(C)c1ccc(C(=O)N[C@@H](C)Cn2cncn2)c([O-])c1 ZINC000068086665 349049182 /nfs/dbraw/zinc/04/91/82/349049182.db2.gz HUIHBPLYEZMZEI-NSHDSACASA-N -1 3 288.351 1.926 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@H](C)C2CCC2)c1 ZINC000677313843 482623738 /nfs/dbraw/zinc/62/37/38/482623738.db2.gz IHZHHYAMHVSZOK-SECBINFHSA-N -1 3 257.359 1.370 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CCN[C@@H](c2ccccc2)C1 ZINC000616143139 349310742 /nfs/dbraw/zinc/31/07/42/349310742.db2.gz KKNVJAOESHXEQJ-MRXNPFEDSA-N -1 3 297.358 1.503 10 0 CDAEHM CC1(C[N-]S(=O)(=O)c2ccc[nH]c2=NN)CCCC1 ZINC000104437753 186002171 /nfs/dbraw/zinc/00/21/71/186002171.db2.gz UNQHBMSZIFEPJW-UHFFFAOYSA-N -1 3 284.385 1.226 10 0 CDAEHM COc1ccc([O-])c(C(=O)N(C)CC2CC(O)C2)c1 ZINC000091459441 180160950 /nfs/dbraw/zinc/16/09/50/180160950.db2.gz VVDGLDRQMDTKFI-UHFFFAOYSA-N -1 3 265.309 1.244 10 0 CDAEHM CN(C)[C@H](CNC(=O)N1CC(C(=O)[O-])C1)c1ccccc1 ZINC000621828860 350797035 /nfs/dbraw/zinc/79/70/35/350797035.db2.gz WBZHRCCJEROIPP-CYBMUJFWSA-N -1 3 291.351 1.015 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cnn2ncccc12 ZINC000622121486 351018640 /nfs/dbraw/zinc/01/86/40/351018640.db2.gz GFUWCALTWCSIIJ-UHFFFAOYSA-N -1 3 284.323 1.558 10 0 CDAEHM O=C(N[C@H]1C[C@@H](O)C12CCC2)c1c([O-])cccc1O ZINC000622175006 351054241 /nfs/dbraw/zinc/05/42/41/351054241.db2.gz WBJVKWASQHJVGD-WDEREUQCSA-N -1 3 263.293 1.131 10 0 CDAEHM Cc1cnc(CCCC(=O)NCc2ncccc2[O-])o1 ZINC000622570932 351216425 /nfs/dbraw/zinc/21/64/25/351216425.db2.gz YRCBLXJMEDKDBX-UHFFFAOYSA-N -1 3 275.308 1.723 10 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YBDWKWMCNDIPQY-VXGBXAGGSA-N -1 3 263.337 1.934 10 0 CDAEHM Fc1cccc2c1CC[C@H]2N=c1ncnc2[nH][n-]cc1-2 ZINC000352683457 283020431 /nfs/dbraw/zinc/02/04/31/283020431.db2.gz ARLCORNPMRMEFE-GFCCVEGCSA-N -1 3 269.283 1.965 10 0 CDAEHM COc1ccc2cnn(CCOC(C)C)c([O-])c-2c1=O ZINC000634619770 356582159 /nfs/dbraw/zinc/58/21/59/356582159.db2.gz JKFPHQFGFHIGIN-UHFFFAOYSA-N -1 3 278.308 1.536 10 0 CDAEHM COc1ccc2cnn(CCOC(C)C)c(=O)c2c1[O-] ZINC000634619770 356582164 /nfs/dbraw/zinc/58/21/64/356582164.db2.gz JKFPHQFGFHIGIN-UHFFFAOYSA-N -1 3 278.308 1.536 10 0 CDAEHM C[C@H](c1[n-]nnc1C(=O)OC(C)(C)C)n1cccn1 ZINC000725266427 538456590 /nfs/dbraw/zinc/45/65/90/538456590.db2.gz XAVANRAGTDOVRM-MRVPVSSYSA-N -1 3 263.301 1.566 10 0 CDAEHM C[C@H](c1nn[n-]c1C(=O)OC(C)(C)C)n1cccn1 ZINC000725266427 538456592 /nfs/dbraw/zinc/45/65/92/538456592.db2.gz XAVANRAGTDOVRM-MRVPVSSYSA-N -1 3 263.301 1.566 10 0 CDAEHM C[C@H](c1n[n-]nc1C(=O)OC(C)(C)C)n1cccn1 ZINC000725266427 538456596 /nfs/dbraw/zinc/45/65/96/538456596.db2.gz 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CC[C@H](C(=O)[O-])N(C)C(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000130365915 413153943 /nfs/dbraw/zinc/15/39/43/413153943.db2.gz MVDWMMDPRURFNF-RTXFEEFZSA-N -1 3 278.352 1.644 10 0 CDAEHM CC[C@H](NC(=O)NCc1ncccc1[O-])[C@@H]1CCCO1 ZINC000349813294 397646755 /nfs/dbraw/zinc/64/67/55/397646755.db2.gz OBDVIAOWXORDBK-GWCFXTLKSA-N -1 3 279.340 1.544 10 0 CDAEHM O=C(NCC[C@H]1CCOC1)NCc1ncccc1[O-] ZINC000525922885 397606691 /nfs/dbraw/zinc/60/66/91/397606691.db2.gz WRCMZMZPWPLCRH-JTQLQIEISA-N -1 3 265.313 1.013 10 0 CDAEHM CC[C@@H](CS(=O)(=O)[N-]c1cc(C)cnc1C)OC ZINC000650489491 398016105 /nfs/dbraw/zinc/01/61/05/398016105.db2.gz OMOBAGLFLHSINN-NSHDSACASA-N -1 3 272.370 1.865 10 0 CDAEHM O=C(NCc1ncccc1[O-])NC1CC2(CCC2)C1 ZINC000651458352 398036507 /nfs/dbraw/zinc/03/65/07/398036507.db2.gz CLYRWNQLVODUKM-UHFFFAOYSA-N -1 3 261.325 1.919 10 0 CDAEHM CCCC(=O)NCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153572290 289173733 /nfs/dbraw/zinc/17/37/33/289173733.db2.gz ZZNCTZKBPYPPQV-UHFFFAOYSA-N -1 3 270.716 1.900 10 0 CDAEHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H]1CC[C@H](C)O1 ZINC000093312848 147044365 /nfs/dbraw/zinc/04/43/65/147044365.db2.gz BLTPFJGTFYEHPD-DTWKUNHWSA-N -1 3 296.323 1.920 10 0 CDAEHM Cn1ncc2c1ncc(C(=O)N1CCC3(CCC3)C1)c2[O-] ZINC000119344768 147313230 /nfs/dbraw/zinc/31/32/30/147313230.db2.gz NNJYKYFITQOXNL-UHFFFAOYSA-N -1 3 286.335 1.690 10 0 CDAEHM O=S(=O)([N-][C@H]1Cc2ccccc2[C@H]1O)c1cccs1 ZINC000178713825 148079986 /nfs/dbraw/zinc/07/99/86/148079986.db2.gz KRQWQMGXSLNMCC-WCQYABFASA-N -1 3 295.385 1.685 10 0 CDAEHM Cc1cc(C)n([C@H](C)C(=O)Nc2ncccc2[O-])n1 ZINC000180993450 148173225 /nfs/dbraw/zinc/17/32/25/148173225.db2.gz WOTXKGXNEPKSJO-SNVBAGLBSA-N -1 3 260.297 1.800 10 0 CDAEHM O=C(CCNC(=O)c1cccc([O-])c1)NCc1ccccc1 ZINC000182265471 148253099 /nfs/dbraw/zinc/25/30/99/148253099.db2.gz SSUVHIBUYISMPZ-UHFFFAOYSA-N -1 3 298.342 1.829 10 0 CDAEHM CN(C)c1ncc(NC(=O)c2cccc([O-])c2)cn1 ZINC000182892264 148273224 /nfs/dbraw/zinc/27/32/24/148273224.db2.gz FORPOFYXEQPJEI-UHFFFAOYSA-N -1 3 258.281 1.501 10 0 CDAEHM Cc1cc(C(=O)N[C@H]2CCC[C@@H](CO)C2)ccc1[O-] ZINC000311375670 149211532 /nfs/dbraw/zinc/21/15/32/149211532.db2.gz VWSIMKQYMHFFPI-YPMHNXCESA-N -1 3 263.337 1.982 10 0 CDAEHM O=C(Cc1ccc2c(c1)OCO2)NCc1ncccc1[O-] ZINC000352509379 155237693 /nfs/dbraw/zinc/23/76/93/155237693.db2.gz PGOCBYLMOBBQOM-UHFFFAOYSA-N -1 3 286.287 1.375 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1cnc2ccccc2n1 ZINC000352514756 155240766 /nfs/dbraw/zinc/24/07/66/155240766.db2.gz CDXOXRXVTDAMBJ-UHFFFAOYSA-N -1 3 280.287 1.660 10 0 CDAEHM CCCCO[C@H](C)C(=O)NCc1ncccc1[O-] ZINC000352516071 155243485 /nfs/dbraw/zinc/24/34/85/155243485.db2.gz JNBQAXWCFHJJKC-SNVBAGLBSA-N -1 3 252.314 1.609 10 0 CDAEHM COC(=O)c1ccc(C(=O)NCc2ncccc2[O-])o1 ZINC000352518182 155244819 /nfs/dbraw/zinc/24/48/19/155244819.db2.gz VMBBHQHGJKCACJ-UHFFFAOYSA-N -1 3 276.248 1.097 10 0 CDAEHM CO[C@H](CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)C1CCCC1 ZINC000660556386 413239330 /nfs/dbraw/zinc/23/93/30/413239330.db2.gz HAICOVOLEXGBCI-QWHCGFSZSA-N -1 3 294.399 1.895 10 0 CDAEHM COC(=O)[C@H]1CSCCN(C(=O)c2cccc([O-])c2)C1 ZINC000335190256 150388751 /nfs/dbraw/zinc/38/87/51/150388751.db2.gz BMGVSBLTGIHUDM-LLVKDONJSA-N -1 3 295.360 1.370 10 0 CDAEHM CSc1nnc(NC(=O)[C@@H]2CCC[C@@H](F)C2)[n-]1 ZINC000335197455 150396373 /nfs/dbraw/zinc/39/63/73/150396373.db2.gz MHEWSFQEUUWVOF-RNFRBKRXSA-N -1 3 258.322 1.993 10 0 CDAEHM CSc1n[n-]c(NC(=O)[C@@H]2CCC[C@@H](F)C2)n1 ZINC000335197455 150396376 /nfs/dbraw/zinc/39/63/76/150396376.db2.gz MHEWSFQEUUWVOF-RNFRBKRXSA-N -1 3 258.322 1.993 10 0 CDAEHM CSc1nc(NC(=O)[C@@H]2CCC[C@@H](F)C2)n[n-]1 ZINC000335197455 150396377 /nfs/dbraw/zinc/39/63/77/150396377.db2.gz MHEWSFQEUUWVOF-RNFRBKRXSA-N -1 3 258.322 1.993 10 0 CDAEHM C[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)[C@H]1C ZINC000335960917 151151366 /nfs/dbraw/zinc/15/13/66/151151366.db2.gz VNFCJVSNYGGIED-ZJUUUORDSA-N -1 3 282.365 1.539 10 0 CDAEHM CCc1nc(C)c(C(=O)Nc2nnc(OC)[n-]2)s1 ZINC000352648853 155324168 /nfs/dbraw/zinc/32/41/68/155324168.db2.gz VULLNBATFXNVFY-UHFFFAOYSA-N -1 3 267.314 1.393 10 0 CDAEHM CCc1nc(C)c(C(=O)Nc2n[n-]c(OC)n2)s1 ZINC000352648853 155324171 /nfs/dbraw/zinc/32/41/71/155324171.db2.gz VULLNBATFXNVFY-UHFFFAOYSA-N -1 3 267.314 1.393 10 0 CDAEHM CCc1nc(C)c(C(=O)Nc2nc(OC)n[n-]2)s1 ZINC000352648853 155324175 /nfs/dbraw/zinc/32/41/75/155324175.db2.gz VULLNBATFXNVFY-UHFFFAOYSA-N -1 3 267.314 1.393 10 0 CDAEHM CCC(=O)N[C@H]1CCCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000346474780 153202534 /nfs/dbraw/zinc/20/25/34/153202534.db2.gz DEPIJHUHPSKNEJ-RYUDHWBXSA-N -1 3 292.383 1.542 10 0 CDAEHM Cc1ccc2[n-]cc(C(=O)N[C@@H](C)[C@H](C)CO)c(=O)c2c1 ZINC000346885575 153339057 /nfs/dbraw/zinc/33/90/57/153339057.db2.gz CEMKQOXQFYVNMC-MNOVXSKESA-N -1 3 288.347 1.583 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2nc3cccnc3n2C)c[n-]1 ZINC000346918863 153349018 /nfs/dbraw/zinc/34/90/18/153349018.db2.gz VJSHGBGMMLXBNI-UHFFFAOYSA-N -1 3 299.290 1.335 10 0 CDAEHM COC(C)(C)CS(=O)(=O)[N-][C@H](C)c1nnc(C)s1 ZINC000349580895 154145423 /nfs/dbraw/zinc/14/54/23/154145423.db2.gz MVYALAKMOSWQNS-SSDOTTSWSA-N -1 3 293.414 1.252 10 0 CDAEHM CS[C@H](C)CNC(=O)NCc1ncccc1[O-] ZINC000349799693 154221498 /nfs/dbraw/zinc/22/14/98/154221498.db2.gz IAKQWKIIXBLPCL-MRVPVSSYSA-N -1 3 255.343 1.338 10 0 CDAEHM O=C(NCCC[C@@H]1CCCCO1)NCc1ncccc1[O-] ZINC000349911760 154267832 /nfs/dbraw/zinc/26/78/32/154267832.db2.gz OEOLQULRTKTQDQ-LBPRGKRZSA-N -1 3 293.367 1.936 10 0 CDAEHM Cc1ccc(NC(=O)CCCCC(N)=O)c([O-])c1 ZINC000352190950 155010318 /nfs/dbraw/zinc/01/03/18/155010318.db2.gz QWONDYXVCJFWNM-UHFFFAOYSA-N -1 3 250.298 1.685 10 0 CDAEHM CO[C@H]1CCCC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000352212717 155027288 /nfs/dbraw/zinc/02/72/88/155027288.db2.gz RKNXDOJZWMCIMB-MFKMUULPSA-N -1 3 264.325 1.609 10 0 CDAEHM COCc1cccc(CNC2(c3nn[n-]n3)CCCC2)c1 ZINC000354204469 156322520 /nfs/dbraw/zinc/32/25/20/156322520.db2.gz LGOQAVZHNVWCPV-UHFFFAOYSA-N -1 3 287.367 1.905 10 0 CDAEHM COCc1cccc(CNC2(c3nnn[n-]3)CCCC2)c1 ZINC000354204469 156322524 /nfs/dbraw/zinc/32/25/24/156322524.db2.gz LGOQAVZHNVWCPV-UHFFFAOYSA-N -1 3 287.367 1.905 10 0 CDAEHM Cc1cccc(F)c1S(=O)(=O)[N-]CC[C@H]1CCOC1 ZINC000356245964 157412925 /nfs/dbraw/zinc/41/29/25/157412925.db2.gz KYEGMJMLZHSVOA-NSHDSACASA-N -1 3 287.356 1.839 10 0 CDAEHM Oc1[n-]c(N2CCC[C@H](CCF)C2)nc2nncc1-2 ZINC000664412737 413358008 /nfs/dbraw/zinc/35/80/08/413358008.db2.gz HUONKXCTQCIOPV-MRVPVSSYSA-N -1 3 265.292 1.635 10 0 CDAEHM Cc1cc(C[C@@H](C)NC(=O)c2ncc(C)cc2[O-])n[nH]1 ZINC000358723041 158003439 /nfs/dbraw/zinc/00/34/39/158003439.db2.gz LPUBUXIRFUJDMD-SECBINFHSA-N -1 3 274.324 1.488 10 0 CDAEHM Cc1ccc(NC(=O)c2cccnc2C(N)=O)c([O-])c1 ZINC000358912395 158069516 /nfs/dbraw/zinc/06/95/16/158069516.db2.gz WRUJJVCXFAGJKD-UHFFFAOYSA-N -1 3 271.276 1.447 10 0 CDAEHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@H]1CCOC1 ZINC000359244478 158180704 /nfs/dbraw/zinc/18/07/04/158180704.db2.gz PIRPALHKENALGC-JTQLQIEISA-N -1 3 272.304 1.389 10 0 CDAEHM CC(C)CC[C@H](NC(=O)CN1CC(=O)[N-]C1=O)C(C)(C)C 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CC(C)[C@@](C)(CC(=O)N1CCCN(C)CC1)C(=O)[O-] ZINC000035282165 172100921 /nfs/dbraw/zinc/10/09/21/172100921.db2.gz MOTLQYMAALWSGE-CQSZACIVSA-N -1 3 270.373 1.288 10 0 CDAEHM C[C@H]([N-]S(=O)(=O)c1ccc[nH]c1=NN)c1ccccc1 ZINC000035358381 172149055 /nfs/dbraw/zinc/14/90/55/172149055.db2.gz YVJPEXVJOONWIT-JTQLQIEISA-N -1 3 292.364 1.407 10 0 CDAEHM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@H]1CNCc2ccccc21 ZINC000656856524 413763058 /nfs/dbraw/zinc/76/30/58/413763058.db2.gz LJKZQTZBOGPMDD-DDTOSNHZSA-N -1 3 288.347 1.338 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCO[C@@H]2CC2(F)F)o1 ZINC000657118002 413945691 /nfs/dbraw/zinc/94/56/91/413945691.db2.gz QCEVDBGXHIAUAK-MRVPVSSYSA-N -1 3 281.280 1.291 10 0 CDAEHM Cn1ncc(C2CC2)c1C[N-]S(=O)(=O)c1cscn1 ZINC000657153737 413971304 /nfs/dbraw/zinc/97/13/04/413971304.db2.gz VJWXDYKBVXJPCO-UHFFFAOYSA-N -1 3 298.393 1.233 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-][C@@H]2C[C@@H](O)C23CCC3)s1 ZINC000657188847 414024702 /nfs/dbraw/zinc/02/47/02/414024702.db2.gz SLNUOVJBCBXKHX-RKDXNWHRSA-N -1 3 288.394 1.033 10 0 CDAEHM COc1cccc(C(=O)Nc2ccc(N)cn2)c1[O-] ZINC000037325351 173125570 /nfs/dbraw/zinc/12/55/70/173125570.db2.gz XQJXTKULUNQHKG-UHFFFAOYSA-N -1 3 259.265 1.630 10 0 CDAEHM CCCn1nccc1C[N-]c1nc(-c2nccn2C)no1 ZINC000663257062 414092814 /nfs/dbraw/zinc/09/28/14/414092814.db2.gz SWTNDNCYDDJTQJ-UHFFFAOYSA-N -1 3 287.327 1.689 10 0 CDAEHM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)C1COC1)c1ccccc1 ZINC000660025491 414369216 /nfs/dbraw/zinc/36/92/16/414369216.db2.gz ASTKQTMPTHJXPV-ZIAGYGMSSA-N -1 3 299.392 1.063 10 0 CDAEHM O=C1NCC[C@@H]1NCc1cc([O-])ccc1Br ZINC000657525088 414416017 /nfs/dbraw/zinc/41/60/17/414416017.db2.gz PVTJSFMHLXAJEI-JTQLQIEISA-N -1 3 285.141 1.133 10 0 CDAEHM C[C@@]1(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CCCCN1 ZINC000133418501 414466094 /nfs/dbraw/zinc/46/60/94/414466094.db2.gz WEPUZTNTQJVYDG-FZMZJTMJSA-N -1 3 268.357 1.232 10 0 CDAEHM C[C@@H](C(=O)Nc1[n-]nnc1C(=O)NC1CC1)c1ccco1 ZINC000662171919 414550540 /nfs/dbraw/zinc/55/05/40/414550540.db2.gz DRMNBWALEMEXGE-SSDOTTSWSA-N -1 3 289.295 1.032 10 0 CDAEHM C[C@@H](C(=O)Nc1nn[n-]c1C(=O)NC1CC1)c1ccco1 ZINC000662171919 414550542 /nfs/dbraw/zinc/55/05/42/414550542.db2.gz DRMNBWALEMEXGE-SSDOTTSWSA-N -1 3 289.295 1.032 10 0 CDAEHM C[C@@H](C(=O)Nc1n[n-]nc1C(=O)NC1CC1)c1ccco1 ZINC000662171919 414550545 /nfs/dbraw/zinc/55/05/45/414550545.db2.gz DRMNBWALEMEXGE-SSDOTTSWSA-N -1 3 289.295 1.032 10 0 CDAEHM COC[C@]1(C(=O)[O-])CCN(CCOc2ccccc2F)C1 ZINC000315253288 414563453 /nfs/dbraw/zinc/56/34/53/414563453.db2.gz FYZXFYKTCQWSLW-HNNXBMFYSA-N -1 3 297.326 1.628 10 0 CDAEHM CCCCC[C@H]1CCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662206923 414564102 /nfs/dbraw/zinc/56/41/02/414564102.db2.gz XNKFDVJZIWDJRW-QWHCGFSZSA-N -1 3 282.384 1.717 10 0 CDAEHM CC(C)([N-]S(=O)(=O)c1cccs1)C(N)=S ZINC000040350101 174244251 /nfs/dbraw/zinc/24/42/51/174244251.db2.gz GOOYRXZFUGXWJD-UHFFFAOYSA-N -1 3 264.397 1.091 10 0 CDAEHM CC(C)NCC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000040479383 174283810 /nfs/dbraw/zinc/28/38/10/174283810.db2.gz RUOQSGNMHYYECS-UHFFFAOYSA-N -1 3 270.716 1.975 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000040479516 174283893 /nfs/dbraw/zinc/28/38/93/174283893.db2.gz NCNJSUDBOCQQLC-UWVGGRQHSA-N -1 3 256.346 1.264 10 0 CDAEHM NC1(C(=O)NCc2ccc(C(=O)[O-])cc2)CCCC1 ZINC000040478963 174284000 /nfs/dbraw/zinc/28/40/00/174284000.db2.gz NRKKELQUHDZNKE-UHFFFAOYSA-N -1 3 262.309 1.273 10 0 CDAEHM CCCC[C@@H](N)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000040480872 174284757 /nfs/dbraw/zinc/28/47/57/174284757.db2.gz WRBFQCLAFBLOQT-GFCCVEGCSA-N -1 3 276.336 1.791 10 0 CDAEHM CC(C)[C@H](N)C(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000040481530 174285217 /nfs/dbraw/zinc/28/52/17/174285217.db2.gz YUAIPDWYSYGIGR-QUNCOHTASA-N -1 3 256.346 1.119 10 0 CDAEHM CC[C@@H](C)NCC(=O)N(CC(=O)[O-])c1ccccc1 ZINC000040484156 174287293 /nfs/dbraw/zinc/28/72/93/174287293.db2.gz UYDGRKXEHOCWMN-LLVKDONJSA-N -1 3 264.325 1.492 10 0 CDAEHM Cc1ccccc1N(CCC(=O)[O-])C(=O)[C@H](N)C(C)C 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CCN1CCC[C@@H](NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])C1 ZINC000040503044 174299728 /nfs/dbraw/zinc/29/97/28/174299728.db2.gz AHKIWYDDFYYJQO-UPJWGTAASA-N -1 3 280.368 1.254 10 0 CDAEHM C[C@H]([N-]S(=O)(=O)c1cc(N)cs1)[C@@H]1CCCO1 ZINC000041067915 174469074 /nfs/dbraw/zinc/46/90/74/174469074.db2.gz RTSDZUBCBJHQDV-CBAPKCEASA-N -1 3 276.383 1.176 10 0 CDAEHM CN1CCC[C@H](CNC(=O)N2CCCC[C@@H]2CC(=O)[O-])C1 ZINC000044560184 175204372 /nfs/dbraw/zinc/20/43/72/175204372.db2.gz GCXSBXAMBYZYKO-CHWSQXEVSA-N -1 3 297.399 1.367 10 0 CDAEHM CN1CCCC[C@H]1Cn1c(=O)[nH]c2cc(C(=O)[O-])ccc21 ZINC000044562955 175205818 /nfs/dbraw/zinc/20/58/18/175205818.db2.gz LUKXUJMVBKBWDW-NSHDSACASA-N -1 3 289.335 1.512 10 0 CDAEHM CC(C)[C@H](N)C(=O)N1CCc2sccc2[C@@H]1C(=O)[O-] ZINC000044592595 175213335 /nfs/dbraw/zinc/21/33/35/175213335.db2.gz NJQBZSOYDWVKGZ-WDEREUQCSA-N -1 3 282.365 1.242 10 0 CDAEHM CC[C@@H](C(=O)[O-])N(C)C(=O)N[C@H](C)CN1CCCCC1 ZINC000044646092 175222598 /nfs/dbraw/zinc/22/25/98/175222598.db2.gz FLXWWRBMNQBDKA-NEPJUHHUSA-N -1 3 285.388 1.365 10 0 CDAEHM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000044681148 175229355 /nfs/dbraw/zinc/22/93/55/175229355.db2.gz ONGZSOKBFKKTJU-GFCCVEGCSA-N -1 3 289.335 1.743 10 0 CDAEHM CCC(CC)(CC(=O)N[C@@H]1CCN(C2CC2)C1)C(=O)[O-] ZINC000044692951 175233982 /nfs/dbraw/zinc/23/39/82/175233982.db2.gz CZUBIFARRZCMET-LLVKDONJSA-N -1 3 282.384 1.620 10 0 CDAEHM O=C([O-])CSc1nccn1[C@@H]1CCN(C2CC2)C1 ZINC000044726345 175237931 /nfs/dbraw/zinc/23/79/31/175237931.db2.gz OLHMWYYDLRREAQ-SNVBAGLBSA-N -1 3 267.354 1.469 10 0 CDAEHM Clc1cccc(C2CC(NCc3nn[n-]n3)C2)c1 ZINC000044928606 175279185 /nfs/dbraw/zinc/27/91/85/175279185.db2.gz SVLOQDSBAHNXFW-UHFFFAOYSA-N -1 3 263.732 1.889 10 0 CDAEHM Clc1cccc(C2CC(NCc3nnn[n-]3)C2)c1 ZINC000044928606 175279186 /nfs/dbraw/zinc/27/91/86/175279186.db2.gz SVLOQDSBAHNXFW-UHFFFAOYSA-N -1 3 263.732 1.889 10 0 CDAEHM Cc1cc(C[N-]S(=O)(=O)c2ccc([C@@H](C)O)cc2)on1 ZINC000045015088 175290861 /nfs/dbraw/zinc/29/08/61/175290861.db2.gz QFXSPEHBGYYGGV-SNVBAGLBSA-N -1 3 296.348 1.515 10 0 CDAEHM Cn1ccnc1CCNCc1nc(=O)c2sccc2[n-]1 ZINC000045134555 175312636 /nfs/dbraw/zinc/31/26/36/175312636.db2.gz RDXAOFRGZNKPMA-UHFFFAOYSA-N -1 3 289.364 1.050 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2ccc(N)cc2)c[nH]1 ZINC000070418328 175917798 /nfs/dbraw/zinc/91/77/98/175917798.db2.gz SSHMQIOMZGGYDK-QMMMGPOBSA-N -1 3 280.353 1.340 10 0 CDAEHM CN(CCNc1ncnc2cc(C(=O)[O-])ccc21)C1CC1 ZINC000071143979 176041531 /nfs/dbraw/zinc/04/15/31/176041531.db2.gz VYPKLOJPRMXSFH-UHFFFAOYSA-N -1 3 286.335 1.834 10 0 CDAEHM Cc1cccc(NC(=O)NC[C@H](C)N(C)C)c1C(=O)[O-] ZINC000071172100 176052390 /nfs/dbraw/zinc/05/23/90/176052390.db2.gz JAPCSTUESZZVGS-JTQLQIEISA-N -1 3 279.340 1.765 10 0 CDAEHM CCc1nc(S(=O)(=O)[N-]C2CCCCC2)c[nH]1 ZINC000078697015 177373029 /nfs/dbraw/zinc/37/30/29/177373029.db2.gz MKVKGNKMQRRDIH-UHFFFAOYSA-N -1 3 257.359 1.583 10 0 CDAEHM CC[C@@H]1CN(C(=O)N=c2cc(OC)n(C)[n-]2)CCS1 ZINC000547838245 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CCC[C@@H](OCC)C(=O)NCc1ncccc1[O-] ZINC000626737911 346966798 /nfs/dbraw/zinc/96/67/98/346966798.db2.gz DPPQHRUJUKZMKF-GFCCVEGCSA-N -1 3 252.314 1.609 10 0 CDAEHM COC(=O)[C@H]1C[C@@H](N(C)C(=O)c2ccc([O-])c(C)c2)C1 ZINC000598426427 343787317 /nfs/dbraw/zinc/78/73/17/343787317.db2.gz KIIFYZSFHSACHN-TXEJJXNPSA-N -1 3 277.320 1.724 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)[C@H](C)Cc1ccco1 ZINC000598847617 343911124 /nfs/dbraw/zinc/91/11/24/343911124.db2.gz NXGZMTIJKRIUJL-MRVPVSSYSA-N -1 3 277.280 1.607 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)[C@H](C)Cc1ccco1 ZINC000598847617 343911128 /nfs/dbraw/zinc/91/11/28/343911128.db2.gz NXGZMTIJKRIUJL-MRVPVSSYSA-N -1 3 277.280 1.607 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)[C@@H](C)Cc1ccco1 ZINC000598847618 343911204 /nfs/dbraw/zinc/91/12/04/343911204.db2.gz NXGZMTIJKRIUJL-QMMMGPOBSA-N -1 3 277.280 1.607 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)[C@@H](C)Cc1ccco1 ZINC000598847618 343911207 /nfs/dbraw/zinc/91/12/07/343911207.db2.gz NXGZMTIJKRIUJL-QMMMGPOBSA-N -1 3 277.280 1.607 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H]1CCC1(C)C ZINC000612091247 347013841 /nfs/dbraw/zinc/01/38/41/347013841.db2.gz ZRFXZGVSTPYMQE-ZETCQYMHSA-N -1 3 251.286 1.571 10 0 CDAEHM O=[S@@]1C[C@@H]2C[C@H]1CN2Cc1cc([O-])ccc1Cl ZINC000599450739 344064669 /nfs/dbraw/zinc/06/46/69/344064669.db2.gz LMFFCNQEUKIMKU-LTHLMHMASA-N -1 3 271.769 1.751 10 0 CDAEHM COC(=O)C12CCC(CC1)N2C(=O)c1ccc(O)cc1[O-] ZINC000601831833 344263511 /nfs/dbraw/zinc/26/35/11/344263511.db2.gz RGBGMICQIYLHMR-UHFFFAOYSA-N -1 3 291.303 1.408 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)c2ccnc3[nH]cnc32)n1 ZINC000447636758 362469374 /nfs/dbraw/zinc/46/93/74/362469374.db2.gz LKHNZULCWUWEPS-UHFFFAOYSA-N -1 3 269.264 1.619 10 0 CDAEHM COc1cccc(C(=O)NC[C@@H](OC)[C@H]2CCOC2)c1[O-] ZINC000617148681 344934138 /nfs/dbraw/zinc/93/41/38/344934138.db2.gz VFFASQPDFFMHQC-GXFFZTMASA-N -1 3 295.335 1.182 10 0 CDAEHM NC(=O)CCCCNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000537916991 282389865 /nfs/dbraw/zinc/38/98/65/282389865.db2.gz FWWJFUJNEOQMIM-UHFFFAOYSA-N -1 3 290.363 1.656 10 0 CDAEHM O=C(c1cc(=O)[n-]cn1)N1CCC[C@H](OC(F)F)C1 ZINC000626410483 345326333 /nfs/dbraw/zinc/32/63/33/345326333.db2.gz JNFZIZVGEREWHU-ZETCQYMHSA-N -1 3 273.239 1.026 10 0 CDAEHM COC[C@@H](NC(=O)c1cc(C)ccc1[O-])C1CCOCC1 ZINC000617375245 345403638 /nfs/dbraw/zinc/40/36/38/345403638.db2.gz RJJYBLUVIXBQRQ-CQSZACIVSA-N -1 3 293.363 1.872 10 0 CDAEHM C[C@]1(C2CC2)CN(C(=O)c2ccc(O)cc2[O-])CCO1 ZINC000617393749 345433226 /nfs/dbraw/zinc/43/32/26/345433226.db2.gz XIHRVYYUIKFIBJ-OAHLLOKOSA-N -1 3 277.320 1.739 10 0 CDAEHM COCc1ccccc1CS(=O)(=O)[N-]c1c[nH]nc1C ZINC000342443162 345559634 /nfs/dbraw/zinc/55/96/34/345559634.db2.gz GVBKXNHTJKGOHW-UHFFFAOYSA-N -1 3 295.364 1.806 10 0 CDAEHM CCc1cc(C(=O)N[C@H]2Cc3cncn3C2)ccc1[O-] ZINC000623258467 345837944 /nfs/dbraw/zinc/83/79/44/345837944.db2.gz VOJFDKKTZHDKBO-LBPRGKRZSA-N -1 3 271.320 1.506 10 0 CDAEHM O=C(NC[C@@H]1CCc2cccnc21)c1ccc(O)cc1[O-] ZINC000623318749 346034982 /nfs/dbraw/zinc/03/49/82/346034982.db2.gz MDUYJDSWRDRDBM-NSHDSACASA-N -1 3 284.315 1.953 10 0 CDAEHM C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)c2cc(=O)[n-]cn2)C1 ZINC000626457565 346141673 /nfs/dbraw/zinc/14/16/73/346141673.db2.gz UAFLXMLAPISSCT-MEBBXXQBSA-N -1 3 293.367 1.489 10 0 CDAEHM COc1cc(=NC(=O)c2coc(C(F)F)c2)[n-]n1C ZINC000626500511 346179128 /nfs/dbraw/zinc/17/91/28/346179128.db2.gz FWMCMTHOGCGFSY-UHFFFAOYSA-N -1 3 271.223 1.634 10 0 CDAEHM C[C@@H](CN1CCCC1)NC(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000085338310 179024912 /nfs/dbraw/zinc/02/49/12/179024912.db2.gz ZKJVCNADMXSANC-SRVKXCTJSA-N -1 3 283.372 1.023 10 0 CDAEHM O=C(N[C@@H]1CCCC[C@@H]1C(=O)[O-])N[C@@H]1CN2CCC1CC2 ZINC000085333083 179021753 /nfs/dbraw/zinc/02/17/53/179021753.db2.gz PBKOKTXACXNXNB-YNEHKIRRSA-N -1 3 295.383 1.023 10 0 CDAEHM Cc1nc(Cc2nc3ccccc3[nH]2)[n-]c(=O)c1CCO ZINC000085403959 179053847 /nfs/dbraw/zinc/05/38/47/179053847.db2.gz AMXGPMFEQUEQQT-UHFFFAOYSA-N -1 3 284.319 1.080 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2CCNC[C@](C)(F)C2)cc1[O-] ZINC000584590101 346368071 /nfs/dbraw/zinc/36/80/71/346368071.db2.gz LJVOTKSLSWTXCR-HNNXBMFYSA-N -1 3 294.326 1.368 10 0 CDAEHM CC(=O)c1cccc(NC(=O)[C@]2(C)CCN(C)C2=O)c1[O-] ZINC000635928815 362738945 /nfs/dbraw/zinc/73/89/45/362738945.db2.gz AEKLPJQSKACLAD-HNNXBMFYSA-N -1 3 290.319 1.402 10 0 CDAEHM O=C1C[C@]2(NC(=O)[N-]C2=O)c2ccc(Br)cc21 ZINC000584648726 346506580 /nfs/dbraw/zinc/50/65/80/346506580.db2.gz MWDLWLPHIPRYNP-NSHDSACASA-N -1 3 295.092 1.070 10 0 CDAEHM Cc1nn(C)c(C)c1NC([O-])=NO[C@H]1CCCCO1 ZINC000274857375 365831400 /nfs/dbraw/zinc/83/14/00/365831400.db2.gz HKUXALFUIPMEKE-JTQLQIEISA-N -1 3 268.317 1.617 10 0 CDAEHM Cc1nn(C)c(C)c1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000274857375 365831405 /nfs/dbraw/zinc/83/14/05/365831405.db2.gz HKUXALFUIPMEKE-JTQLQIEISA-N -1 3 268.317 1.617 10 0 CDAEHM CCC(C)(C)C1CCC(NC(=O)[C@H](N)CC(=O)[O-])CC1 ZINC000085812448 179178018 /nfs/dbraw/zinc/17/80/18/179178018.db2.gz DWXMWLPNZRCSCP-HTAVTVPLSA-N -1 3 284.400 1.900 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000085811646 179178177 /nfs/dbraw/zinc/17/81/77/179178177.db2.gz WSJKUVQCDNKMDG-AWEZNQCLSA-N -1 3 290.363 1.270 10 0 CDAEHM C[C@H](c1ccccc1)N(C)C(=O)[C@H](N)CC(=O)[O-] ZINC000085815793 179179384 /nfs/dbraw/zinc/17/93/84/179179384.db2.gz MWIXZOGGKLNEHA-MWLCHTKSSA-N -1 3 250.298 1.008 10 0 CDAEHM CCN(Cc1ccccc1Cl)C(=O)[C@@H](N)CC(=O)[O-] ZINC000085815954 179180550 /nfs/dbraw/zinc/18/05/50/179180550.db2.gz XRUFYGGWFQKTPS-NSHDSACASA-N -1 3 284.743 1.491 10 0 CDAEHM CC(C)(C)C1CCN(C(=O)[C@@H](N)CC(=O)[O-])CC1 ZINC000085817833 179181338 /nfs/dbraw/zinc/18/13/38/179181338.db2.gz HDDSSDZQBMQBBL-JTQLQIEISA-N -1 3 256.346 1.073 10 0 CDAEHM O=C(c1ccc(F)s1)N1CCc2nc[n-]c(=O)c2C1 ZINC000612811677 347289157 /nfs/dbraw/zinc/28/91/57/347289157.db2.gz UGRXDOBSOICSSX-UHFFFAOYSA-N -1 3 279.296 1.581 10 0 CDAEHM N[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000312312752 347409360 /nfs/dbraw/zinc/40/93/60/347409360.db2.gz XWUNHKUNSYFFBY-OLZOCXBDSA-N -1 3 282.384 1.607 10 0 CDAEHM COc1nc(NC(=O)C2(C(F)(F)F)CCOCC2)n[n-]1 ZINC000613195957 347462164 /nfs/dbraw/zinc/46/21/64/347462164.db2.gz LCWBKTALQMBKKC-UHFFFAOYSA-N -1 3 294.233 1.111 10 0 CDAEHM COc1nnc(NC(=O)C2(C(F)(F)F)CCOCC2)[n-]1 ZINC000613195957 347462167 /nfs/dbraw/zinc/46/21/67/347462167.db2.gz LCWBKTALQMBKKC-UHFFFAOYSA-N -1 3 294.233 1.111 10 0 CDAEHM COc1n[n-]c(NC(=O)C2(C(F)(F)F)CCOCC2)n1 ZINC000613195957 347462169 /nfs/dbraw/zinc/46/21/69/347462169.db2.gz LCWBKTALQMBKKC-UHFFFAOYSA-N -1 3 294.233 1.111 10 0 CDAEHM Cc1nccc([N-]C(=O)c2nnn(C(C)(C)C)n2)c1Cl ZINC000613332284 347688728 /nfs/dbraw/zinc/68/87/28/347688728.db2.gz UNSRJWXQBVUQSE-UHFFFAOYSA-N -1 3 294.746 1.459 10 0 CDAEHM O=C1[N-][C@H](CF)C(=O)N1Cc1c(F)c(F)cc(F)c1F ZINC000672813348 482592057 /nfs/dbraw/zinc/59/20/57/482592057.db2.gz MQCUXLRDFPUIMI-SSDOTTSWSA-N -1 3 294.179 1.633 10 0 CDAEHM COc1ccc(NC(=O)[C@@H](OC)[C@H]2CCOC2)c([O-])c1 ZINC000613832936 347918103 /nfs/dbraw/zinc/91/81/03/347918103.db2.gz OWKIZQLVNXWWGF-ZANVPECISA-N -1 3 281.308 1.391 10 0 CDAEHM CO[C@@H](C(=O)NCc1ncccc1[O-])C1CCCCC1 ZINC000614254677 348059475 /nfs/dbraw/zinc/05/94/75/348059475.db2.gz JLDUBIFLFUDQCJ-CQSZACIVSA-N -1 3 278.352 1.999 10 0 CDAEHM CCCn1nccc1C(=O)NCc1ncccc1[O-] ZINC000614254737 348059480 /nfs/dbraw/zinc/05/94/80/348059480.db2.gz KNYNQVXQPGTTLF-UHFFFAOYSA-N -1 3 260.297 1.324 10 0 CDAEHM CSc1ccc([O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000614527739 348135632 /nfs/dbraw/zinc/13/56/32/348135632.db2.gz DZAARZCCCKUXLD-AOOOYVTPSA-N -1 3 295.360 1.354 10 0 CDAEHM C[C@@H]1C[C@@H](CNC(=O)NCc2ncccc2[O-])[C@H](C)O1 ZINC000413736321 362869165 /nfs/dbraw/zinc/86/91/65/362869165.db2.gz FYYOZRRNZBFEKX-VWYCJHECSA-N -1 3 279.340 1.400 10 0 CDAEHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@@H]1C[C@H]1C1CCCC1 ZINC000614923463 348275440 /nfs/dbraw/zinc/27/54/40/348275440.db2.gz UWIFWACQSMVWAP-QWHCGFSZSA-N -1 3 277.368 1.585 10 0 CDAEHM CCOC(=O)c1cc(O)cc(C(=O)OCC)c1[O-] ZINC000038256252 348739931 /nfs/dbraw/zinc/73/99/31/348739931.db2.gz RTHLTOCNKASRSB-UHFFFAOYSA-N -1 3 254.238 1.451 10 0 CDAEHM CSCc1ccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000066778593 348998092 /nfs/dbraw/zinc/99/80/92/348998092.db2.gz GSGIAMCXEPHYQK-JTQLQIEISA-N -1 3 293.348 1.086 10 0 CDAEHM CC(=O)N[C@@H](C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616020950 349246655 /nfs/dbraw/zinc/24/66/55/349246655.db2.gz SNQYDLMSSDJATH-VIFPVBQESA-N -1 3 287.319 1.081 10 0 CDAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)NCC1(C2CCC2)CCC1 ZINC000616181496 349332575 /nfs/dbraw/zinc/33/25/75/349332575.db2.gz SUMAFIAFZNPKGT-LLVKDONJSA-N -1 3 293.367 1.061 10 0 CDAEHM COc1cc(C(=O)N2C[C@]3(C)COC[C@]3(C)C2)ccc1[O-] ZINC000618028532 349372244 /nfs/dbraw/zinc/37/22/44/349372244.db2.gz FZVHLGNKVXHILM-IYBDPMFKSA-N -1 3 291.347 1.899 10 0 CDAEHM COc1cc(C(=O)N2CC[C@@H]3COC[C@H]3C2)ccc1[O-] ZINC000620139012 350062786 /nfs/dbraw/zinc/06/27/86/350062786.db2.gz RIVZRDMVWLVEDP-VXGBXAGGSA-N -1 3 277.320 1.509 10 0 CDAEHM Cc1ccc(C)c(N(C)Cc2cc(=O)n3nc(N)[n-]c3n2)c1 ZINC000621249461 350503325 /nfs/dbraw/zinc/50/33/25/350503325.db2.gz TZOPNCGQVHHRTR-UHFFFAOYSA-N -1 3 298.350 1.083 10 0 CDAEHM Cc1cc(CN2CCC[C@H]2c2nc(=N)n(C)[n-]2)ccn1 ZINC000621289568 350526311 /nfs/dbraw/zinc/52/63/11/350526311.db2.gz KHWLDCJUPFKNQR-LBPRGKRZSA-N -1 3 272.356 1.268 10 0 CDAEHM COc1cc(=NC(=O)NCC2CC(C)C2)[n-]n1C ZINC000621455044 350604472 /nfs/dbraw/zinc/60/44/72/350604472.db2.gz UUFZYDVJBQIHJB-UHFFFAOYSA-N -1 3 252.318 1.018 10 0 CDAEHM O=C(N=c1[nH][n-]cc1Br)[C@H]1C[C@H]2C[C@H]2C1 ZINC000622053192 350955563 /nfs/dbraw/zinc/95/55/63/350955563.db2.gz OBFJDJJRHCTCOF-ZMONIFLSSA-N -1 3 270.130 1.579 10 0 CDAEHM C[C@]1(c2ccc(NC(=O)C34CC(C3)C4)cc2)NC(=O)[N-]C1=O ZINC000624152211 351443901 /nfs/dbraw/zinc/44/39/01/351443901.db2.gz RQSRIHQRQOIESD-CKHWQTBRSA-N -1 3 299.330 1.480 10 0 CDAEHM CCc1cc(C(=O)N[C@H]2CCC(=O)N(C)C2)ccc1[O-] ZINC000292029519 198139242 /nfs/dbraw/zinc/13/92/42/198139242.db2.gz WOMDIMMXWDNLDC-LBPRGKRZSA-N -1 3 276.336 1.305 10 0 CDAEHM Cc1nnc(C[N-]S(=O)(=O)c2cnccc2C)s1 ZINC000569919123 363209177 /nfs/dbraw/zinc/20/91/77/363209177.db2.gz IETJHCOGYTVCGL-UHFFFAOYSA-N -1 3 284.366 1.028 10 0 CDAEHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@H]1CCCO1 ZINC000156716686 188278367 /nfs/dbraw/zinc/27/83/67/188278367.db2.gz LFIPIHFAGJPKMO-NOZJJQNGSA-N -1 3 282.315 1.898 10 0 CDAEHM C[C@](O)(CNc1nc2nncc-2c(O)[n-]1)C1CCCCC1 ZINC000276681436 366109246 /nfs/dbraw/zinc/10/92/46/366109246.db2.gz FYBUCEKILWGRLW-AWEZNQCLSA-N -1 3 291.355 1.802 10 0 CDAEHM CCC1(C[N-]S(=O)(=O)c2c(C)nn(C)c2Cl)CC1 ZINC000175660170 366149643 /nfs/dbraw/zinc/14/96/43/366149643.db2.gz HTYVBZAQEBWWBF-UHFFFAOYSA-N -1 3 291.804 1.850 10 0 CDAEHM CCN1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1=O ZINC000273532179 192189537 /nfs/dbraw/zinc/18/95/37/192189537.db2.gz WRMMONJISRSAIY-UHFFFAOYSA-N -1 3 299.330 1.245 10 0 CDAEHM CO[C@@H](CNC(=O)c1c(C)cccc1[O-])[C@H]1CCOC1 ZINC000628040971 356413425 /nfs/dbraw/zinc/41/34/25/356413425.db2.gz 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O=C(Cc1cnn2c1CCCC2)N=c1cc2ccccn2[n-]1 ZINC000633020351 378051208 /nfs/dbraw/zinc/05/12/08/378051208.db2.gz UBTSOJIZQRNIMY-UHFFFAOYSA-N -1 3 295.346 1.470 10 0 CDAEHM CCCC1CCC(N(C)C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000192265788 378182833 /nfs/dbraw/zinc/18/28/33/378182833.db2.gz CKVFTJJXQDOTOO-UHFFFAOYSA-N -1 3 295.383 1.356 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(=O)[nH]1)C1[C@H]2CCCCCC[C@H]12 ZINC000633521890 378512679 /nfs/dbraw/zinc/51/26/79/378512679.db2.gz WCVDBAOMNCOQCC-QWRGUYRKSA-N -1 3 291.351 1.720 10 0 CDAEHM CC[C@@H]1CCC[C@@H]1C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633522298 378514438 /nfs/dbraw/zinc/51/44/38/378514438.db2.gz ZLMOKWYMVSGACM-SCZZXKLOSA-N -1 3 265.313 1.330 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-]C(C)(C2CC2)C2CC2)cn1C ZINC000660044962 412892761 /nfs/dbraw/zinc/89/27/61/412892761.db2.gz QDJVALNFNWEUKD-UHFFFAOYSA-N -1 3 283.397 1.586 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-][C@H](C(C)C)C2CC2)nc1C ZINC000660045618 412893618 /nfs/dbraw/zinc/89/36/18/412893618.db2.gz ZAZLFTVSXACWHM-CYBMUJFWSA-N -1 3 285.413 1.924 10 0 CDAEHM COC(=O)c1cc(C(=O)N=c2cc([C@H]3C[C@@H]3C)[nH][nH]2)c[n-]1 ZINC000449835462 251041370 /nfs/dbraw/zinc/04/13/70/251041370.db2.gz PXVDCTBESIJPET-CBAPKCEASA-N -1 3 288.307 1.322 10 0 CDAEHM COC(=O)CCCON=C([O-])Nc1c(C)nn(C)c1C ZINC000288859255 197180671 /nfs/dbraw/zinc/18/06/71/197180671.db2.gz PAUHENPPXQAWKO-UHFFFAOYSA-N -1 3 284.316 1.043 10 0 CDAEHM COC(=O)CCCO[N-]C(=O)Nc1c(C)nn(C)c1C ZINC000288859255 197180673 /nfs/dbraw/zinc/18/06/73/197180673.db2.gz PAUHENPPXQAWKO-UHFFFAOYSA-N -1 3 284.316 1.043 10 0 CDAEHM C[C@@H](CO)[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450143551 251149796 /nfs/dbraw/zinc/14/97/96/251149796.db2.gz NKYAMVRYVFSCMU-DTWKUNHWSA-N -1 3 255.289 1.207 10 0 CDAEHM CCCCC[C@H]1CCCCN1CC(=O)NCC(=O)[O-] ZINC000662230372 412947388 /nfs/dbraw/zinc/94/73/88/412947388.db2.gz XIXGVRBMLXBREG-LBPRGKRZSA-N -1 3 270.373 1.622 10 0 CDAEHM CO[C@@H]1COCC[C@H]1CC(=O)Nc1ccc([O-])cc1F ZINC000450519860 251322111 /nfs/dbraw/zinc/32/21/11/251322111.db2.gz TZTIGIVTUIPYIC-TVQRCGJNSA-N -1 3 283.299 1.911 10 0 CDAEHM NC(=O)c1csc(=NCCCC2CCOCC2)[n-]1 ZINC000450561739 251341197 /nfs/dbraw/zinc/34/11/97/251341197.db2.gz UZYXYCJOJNFORQ-UHFFFAOYSA-N -1 3 269.370 1.283 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@H](C)CCCCO)sc1C ZINC000450650706 251389664 /nfs/dbraw/zinc/38/96/64/251389664.db2.gz NVZMPIBQHIGAFI-MRVPVSSYSA-N -1 3 272.370 1.623 10 0 CDAEHM Cn1cc([C@H]2CCN(C(=O)/C=C\c3cncc([O-])c3)C2)cn1 ZINC000492395022 253210027 /nfs/dbraw/zinc/21/00/27/253210027.db2.gz GUHBGWNGVXZLTK-ZRMMWKCHSA-N -1 3 298.346 1.550 10 0 CDAEHM COC(=O)CCCON=C([O-])Nc1cccc(N(C)C)n1 ZINC000288764234 197160474 /nfs/dbraw/zinc/16/04/74/197160474.db2.gz IBOHOPQLOAQJHP-UHFFFAOYSA-N -1 3 296.327 1.154 10 0 CDAEHM COC(=O)CCCO[N-]C(=O)Nc1cccc(N(C)C)n1 ZINC000288764234 197160475 /nfs/dbraw/zinc/16/04/75/197160475.db2.gz IBOHOPQLOAQJHP-UHFFFAOYSA-N -1 3 296.327 1.154 10 0 CDAEHM CC(C)(O)C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000288239334 197034400 /nfs/dbraw/zinc/03/44/00/197034400.db2.gz SHXVPQIYBVBJOM-UHFFFAOYSA-N -1 3 298.286 1.150 10 0 CDAEHM Cc1cnc(C[N-]S(=O)(=O)N2CCC[C@H](C)C2)o1 ZINC000080632097 177683316 /nfs/dbraw/zinc/68/33/16/177683316.db2.gz MNHKKBZBLUEVND-VIFPVBQESA-N -1 3 273.358 1.049 10 0 CDAEHM O=C(CNC(=O)c1cccc([O-])c1)N1CCCCCO1 ZINC000530523463 390218441 /nfs/dbraw/zinc/21/84/41/390218441.db2.gz WFLXKVQEOYCNQI-UHFFFAOYSA-N -1 3 278.308 1.066 10 0 CDAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@H]1CCSC1 ZINC000527208372 391004292 /nfs/dbraw/zinc/00/42/92/391004292.db2.gz DOJCBDCNKNCSQZ-WCBMZHEXSA-N -1 3 267.354 1.375 10 0 CDAEHM O=C(N[C@H]1CCCc2c(F)cccc21)c1c[n-]nn1 ZINC000336291020 391121661 /nfs/dbraw/zinc/12/16/61/391121661.db2.gz NZYVCURGCDWGJX-NSHDSACASA-N -1 3 260.272 1.751 10 0 CDAEHM O=C(N[C@H]1CCCc2c(F)cccc21)c1cnn[n-]1 ZINC000336291020 391121664 /nfs/dbraw/zinc/12/16/64/391121664.db2.gz NZYVCURGCDWGJX-NSHDSACASA-N -1 3 260.272 1.751 10 0 CDAEHM O=C(N[C@H]1CCCc2c(F)cccc21)c1cn[n-]n1 ZINC000336291020 391121666 /nfs/dbraw/zinc/12/16/66/391121666.db2.gz NZYVCURGCDWGJX-NSHDSACASA-N -1 3 260.272 1.751 10 0 CDAEHM C[C@@H]1OCC[C@]1(C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000345540781 391227992 /nfs/dbraw/zinc/22/79/92/391227992.db2.gz KTFIWIHEAOVXTC-QFYYESIMSA-N -1 3 286.331 1.825 10 0 CDAEHM C[C@]1(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)CCOC1 ZINC000526959150 391235537 /nfs/dbraw/zinc/23/55/37/391235537.db2.gz AFPZZPKTDDHJMN-GWCFXTLKSA-N -1 3 265.313 1.048 10 0 CDAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@H]1COc2ccccc21 ZINC000526959707 391236186 /nfs/dbraw/zinc/23/61/86/391236186.db2.gz SWMWRAWZNJQBIZ-SMDDNHRTSA-N -1 3 299.330 1.798 10 0 CDAEHM Cc1ccc(C(=O)N2C[C@H](C)N(CCO)C[C@H]2C)c([O-])c1 ZINC000416321372 391275506 /nfs/dbraw/zinc/27/55/06/391275506.db2.gz ZZRLDAYUCSRYNH-QWHCGFSZSA-N -1 3 292.379 1.228 10 0 CDAEHM Cc1nc(C2CC2)oc1C(=O)NCc1ncccc1[O-] ZINC000525948582 391452557 /nfs/dbraw/zinc/45/25/57/391452557.db2.gz GLPSMBJBNHTZMV-UHFFFAOYSA-N -1 3 273.292 1.891 10 0 CDAEHM Cc1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)nn1C ZINC000340129173 391464508 /nfs/dbraw/zinc/46/45/08/391464508.db2.gz MWUNWQVYFRPWHD-UHFFFAOYSA-N -1 3 272.268 1.359 10 0 CDAEHM Cc1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)nn1C ZINC000340129173 391464511 /nfs/dbraw/zinc/46/45/11/391464511.db2.gz MWUNWQVYFRPWHD-UHFFFAOYSA-N -1 3 272.268 1.359 10 0 CDAEHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)nn1C ZINC000340129173 391464514 /nfs/dbraw/zinc/46/45/14/391464514.db2.gz MWUNWQVYFRPWHD-UHFFFAOYSA-N -1 3 272.268 1.359 10 0 CDAEHM O=C(N[C@H]1CCCc2c(F)cc(F)cc21)c1c[n-]nn1 ZINC000295668206 391680610 /nfs/dbraw/zinc/68/06/10/391680610.db2.gz WUDIOHUZPFXKFB-NSHDSACASA-N -1 3 278.262 1.890 10 0 CDAEHM O=C(N[C@H]1CCCc2c(F)cc(F)cc21)c1cnn[n-]1 ZINC000295668206 391680612 /nfs/dbraw/zinc/68/06/12/391680612.db2.gz WUDIOHUZPFXKFB-NSHDSACASA-N -1 3 278.262 1.890 10 0 CDAEHM O=C(N[C@H]1CCCc2c(F)cc(F)cc21)c1cn[n-]n1 ZINC000295668206 391680616 /nfs/dbraw/zinc/68/06/16/391680616.db2.gz WUDIOHUZPFXKFB-NSHDSACASA-N -1 3 278.262 1.890 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000182565767 391815172 /nfs/dbraw/zinc/81/51/72/391815172.db2.gz YFEXNPZEFCTVRQ-CYBMUJFWSA-N -1 3 271.320 1.894 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCCN(C(=O)C2CC2)CC1 ZINC000169850435 391833714 /nfs/dbraw/zinc/83/37/14/391833714.db2.gz NEMDFARXLDKKFI-UHFFFAOYSA-N -1 3 288.347 1.477 10 0 CDAEHM CC(C)[C@@H]1C[C@@H]1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000525967711 392007560 /nfs/dbraw/zinc/00/75/60/392007560.db2.gz FUFCQZTYWHOFTI-JBLDHEPKSA-N -1 3 263.341 1.914 10 0 CDAEHM Cc1noc(C2CN(C(=O)c3cccc([O-])c3)C2)n1 ZINC000365596393 391959892 /nfs/dbraw/zinc/95/98/92/391959892.db2.gz GEBKNYPEUQJHCL-UHFFFAOYSA-N -1 3 259.265 1.323 10 0 CDAEHM CC[C@H](C)[C@@](C)(O)CNC(=O)c1cccc(OC)c1[O-] ZINC000439498166 392080608 /nfs/dbraw/zinc/08/06/08/392080608.db2.gz MHFUDSALDARMKZ-BONVTDFDSA-N -1 3 281.352 1.928 10 0 CDAEHM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N(C)CCCC(=O)[O-] ZINC000430672831 392040212 /nfs/dbraw/zinc/04/02/12/392040212.db2.gz XCOBATCLUINOAQ-JHJVBQTASA-N -1 3 284.400 1.866 10 0 CDAEHM COC(=O)c1cnc(SCc2nnnn2C(C)(C)C)[n-]1 ZINC000432663977 392251070 /nfs/dbraw/zinc/25/10/70/392251070.db2.gz LQSNYRKTRRPTLD-UHFFFAOYSA-N -1 3 296.356 1.230 10 0 CDAEHM O=C(N=c1[nH][nH]cc1C1CC1)c1cc(C(F)(F)F)n[n-]1 ZINC000648975021 392538078 /nfs/dbraw/zinc/53/80/78/392538078.db2.gz PVMZBJDVZNCGST-UHFFFAOYSA-N -1 3 285.229 1.703 10 0 CDAEHM O=C(N=c1[nH][nH]cc1C1CC1)c1cc(C(F)(F)F)[n-]n1 ZINC000648975021 392538086 /nfs/dbraw/zinc/53/80/86/392538086.db2.gz PVMZBJDVZNCGST-UHFFFAOYSA-N -1 3 285.229 1.703 10 0 CDAEHM O=C(Cc1cncc([O-])c1)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000529574842 392497646 /nfs/dbraw/zinc/49/76/46/392497646.db2.gz QVHCAJHTKKFJBO-RTXFEEFZSA-N -1 3 260.337 1.882 10 0 CDAEHM COc1nnc(NC(=O)Cc2ccc(Cl)cc2)[n-]1 ZINC000126829811 392595123 /nfs/dbraw/zinc/59/51/23/392595123.db2.gz RFRDIMGIHPTARJ-UHFFFAOYSA-N -1 3 266.688 1.648 10 0 CDAEHM COc1nc(NC(=O)Cc2ccc(Cl)cc2)n[n-]1 ZINC000126829811 392595128 /nfs/dbraw/zinc/59/51/28/392595128.db2.gz RFRDIMGIHPTARJ-UHFFFAOYSA-N -1 3 266.688 1.648 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2ccc(Cl)cc2)n1 ZINC000126829811 392595132 /nfs/dbraw/zinc/59/51/32/392595132.db2.gz RFRDIMGIHPTARJ-UHFFFAOYSA-N -1 3 266.688 1.648 10 0 CDAEHM CCN1CCO[C@@H](CNCc2cccc([O-])c2Cl)C1 ZINC000328503495 392656922 /nfs/dbraw/zinc/65/69/22/392656922.db2.gz YNRLXAQACMUPHZ-LBPRGKRZSA-N -1 3 284.787 1.856 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)C2CCSCC2)n[n-]1 ZINC000269359899 132160034 /nfs/dbraw/zinc/16/00/34/132160034.db2.gz BLLXXVUYZZLIRV-UHFFFAOYSA-N -1 3 291.380 1.892 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)C2CCSCC2)[n-]n1 ZINC000269359899 132160035 /nfs/dbraw/zinc/16/00/35/132160035.db2.gz BLLXXVUYZZLIRV-UHFFFAOYSA-N -1 3 291.380 1.892 10 0 CDAEHM CCCC[C@@H](C(=O)OC)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450917149 393002777 /nfs/dbraw/zinc/00/27/77/393002777.db2.gz YGUCULFPDIUYKJ-NSHDSACASA-N -1 3 297.355 1.686 10 0 CDAEHM CCOc1ncc(C)cc1[N-]S(=O)(=O)N1CCC[C@H]1C ZINC000451073599 393082013 /nfs/dbraw/zinc/08/20/13/393082013.db2.gz RYMKNUOBBRDGAC-LLVKDONJSA-N -1 3 299.396 1.930 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cn(C(C)C)nn1 ZINC000649228872 393118997 /nfs/dbraw/zinc/11/89/97/393118997.db2.gz CXLJUOUWCUHLJM-UHFFFAOYSA-N -1 3 276.344 1.688 10 0 CDAEHM CCOc1nc2cc(C(=O)N(C)CCCCO)ccc2[n-]1 ZINC000451300072 393210142 /nfs/dbraw/zinc/21/01/42/393210142.db2.gz ANAYSFUOMWXIHR-UHFFFAOYSA-N -1 3 291.351 1.806 10 0 CDAEHM CCOc1nc2ccc(C(=O)N(C)CCCCO)cc2[n-]1 ZINC000451300072 393210146 /nfs/dbraw/zinc/21/01/46/393210146.db2.gz ANAYSFUOMWXIHR-UHFFFAOYSA-N -1 3 291.351 1.806 10 0 CDAEHM N[C@@H](CCC(=O)[O-])C(=O)N1CCSc2ccccc21 ZINC000085842563 135038339 /nfs/dbraw/zinc/03/83/39/135038339.db2.gz WEKBGOPCGZKSBE-VIFPVBQESA-N -1 3 280.349 1.317 10 0 CDAEHM Cc1coc2ccc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)cc12 ZINC000185806679 140047844 /nfs/dbraw/zinc/04/78/44/140047844.db2.gz MSZHJMCYTSPCCU-JTQLQIEISA-N -1 3 287.275 1.278 10 0 CDAEHM CC[C@H](N=c1ncnc2[nH][n-]cc1-2)[C@H]1CCCCO1 ZINC000656227596 413123975 /nfs/dbraw/zinc/12/39/75/413123975.db2.gz MOOHSBZAJHHMRX-WDEREUQCSA-N -1 3 261.329 1.486 10 0 CDAEHM CCc1cc([N-]C(=O)c2cn(C(C)(C)C)nn2)no1 ZINC000682903691 483376785 /nfs/dbraw/zinc/37/67/85/483376785.db2.gz RWOQYBLRKAGZML-UHFFFAOYSA-N -1 3 263.301 1.836 10 0 CDAEHM Cc1ccc(CNC(=O)[C@@H](C)N(C)CCCC(=O)[O-])cc1 ZINC000430669435 292105265 /nfs/dbraw/zinc/10/52/65/292105265.db2.gz KUCWBQAXEVEWJQ-CYBMUJFWSA-N -1 3 292.379 1.796 10 0 CDAEHM COCC1(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)CC1 ZINC000353046023 397661677 /nfs/dbraw/zinc/66/16/77/397661677.db2.gz QWWJJGMBOJBOIO-UHFFFAOYSA-N -1 3 272.308 1.259 10 0 CDAEHM CC(C)(O)C1CCC(C(=O)Nc2ccncc2[O-])CC1 ZINC000651596620 398116287 /nfs/dbraw/zinc/11/62/87/398116287.db2.gz PJJJBVYKRDASPA-UHFFFAOYSA-N -1 3 278.352 1.725 10 0 CDAEHM CN(CCNCc1nccs1)C(=O)c1ncccc1[O-] ZINC001663899168 1172785711 /nfs/dbraw/zinc/78/57/11/1172785711.db2.gz IDEYNLBFNMOAFM-UHFFFAOYSA-N -1 3 292.364 1.106 10 0 CDAEHM Cc1ccncc1CCNC(=O)c1cncc([O-])c1 ZINC001583998605 1172792390 /nfs/dbraw/zinc/79/23/90/1172792390.db2.gz NZHZQVPQXLJMED-UHFFFAOYSA-N -1 3 257.293 1.463 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)CC[C@@H]2CCOC2)n[n-]1 ZINC000119850487 147329080 /nfs/dbraw/zinc/32/90/80/147329080.db2.gz RFBJKVAZPFZGEB-SNVBAGLBSA-N -1 3 289.339 1.565 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)CC[C@@H]2CCOC2)[n-]n1 ZINC000119850487 147329083 /nfs/dbraw/zinc/32/90/83/147329083.db2.gz RFBJKVAZPFZGEB-SNVBAGLBSA-N -1 3 289.339 1.565 10 0 CDAEHM COc1nnc(NC(=O)[C@H](c2ccccc2)N(C)C)[n-]1 ZINC000182984830 148279234 /nfs/dbraw/zinc/27/92/34/148279234.db2.gz AVYWFNJMVVQRJW-JTQLQIEISA-N -1 3 275.312 1.055 10 0 CDAEHM COc1nc(NC(=O)[C@H](c2ccccc2)N(C)C)n[n-]1 ZINC000182984830 148279236 /nfs/dbraw/zinc/27/92/36/148279236.db2.gz AVYWFNJMVVQRJW-JTQLQIEISA-N -1 3 275.312 1.055 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H](c2ccccc2)N(C)C)n1 ZINC000182984830 148279239 /nfs/dbraw/zinc/27/92/39/148279239.db2.gz AVYWFNJMVVQRJW-JTQLQIEISA-N -1 3 275.312 1.055 10 0 CDAEHM C[C@H](Oc1cccnc1)C(=O)NCc1ncccc1[O-] ZINC000352502274 155232105 /nfs/dbraw/zinc/23/21/05/155232105.db2.gz SEAYDMIUYRJSEO-JTQLQIEISA-N -1 3 273.292 1.266 10 0 CDAEHM O=C(Cc1cc(F)ccc1F)NCc1ncccc1[O-] ZINC000352517072 155242822 /nfs/dbraw/zinc/24/28/22/155242822.db2.gz NOEDUTGDDXHUOP-UHFFFAOYSA-N -1 3 278.258 1.924 10 0 CDAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cccc2ccsc21 ZINC000334862769 150005673 /nfs/dbraw/zinc/00/56/73/150005673.db2.gz GGYRPBAKYGDWEY-VIFPVBQESA-N -1 3 289.316 1.438 10 0 CDAEHM Cc1cc(C(=O)NC2(CF)CCOCC2)ccc1[O-] ZINC000334970677 150132734 /nfs/dbraw/zinc/13/27/34/150132734.db2.gz GFYGSNZCPJHHDT-UHFFFAOYSA-N -1 3 267.300 1.949 10 0 CDAEHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccco2)CCO1 ZINC000334980199 150145478 /nfs/dbraw/zinc/14/54/78/150145478.db2.gz UIDUMHAIZUBGPM-UWVGGRQHSA-N -1 3 259.327 1.516 10 0 CDAEHM Cn1nc2c(c1CNC(=O)c1ccccc1[O-])CCCC2 ZINC000335960296 151150233 /nfs/dbraw/zinc/15/02/33/151150233.db2.gz XXUMVTJBIDEVQJ-UHFFFAOYSA-N -1 3 285.347 1.935 10 0 CDAEHM COc1nc(NC(=O)CCc2nc3ccccc3o2)n[n-]1 ZINC000352646106 155322949 /nfs/dbraw/zinc/32/29/49/155322949.db2.gz SXMXMGLLLGQRAG-UHFFFAOYSA-N -1 3 287.279 1.526 10 0 CDAEHM COc1nnc(NC(=O)CCc2nc3ccccc3o2)[n-]1 ZINC000352646106 155322950 /nfs/dbraw/zinc/32/29/50/155322950.db2.gz SXMXMGLLLGQRAG-UHFFFAOYSA-N -1 3 287.279 1.526 10 0 CDAEHM COc1n[n-]c(NC(=O)CCc2nc3ccccc3o2)n1 ZINC000352646106 155322952 /nfs/dbraw/zinc/32/29/52/155322952.db2.gz SXMXMGLLLGQRAG-UHFFFAOYSA-N -1 3 287.279 1.526 10 0 CDAEHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1cccnc1 ZINC000349215816 154069614 /nfs/dbraw/zinc/06/96/14/154069614.db2.gz ISQZBQPVRVNYMA-SNVBAGLBSA-N -1 3 272.308 1.743 10 0 CDAEHM COC(C)(C)CS(=O)(=O)[N-][C@H](CO)c1ccsc1 ZINC000349505571 154125388 /nfs/dbraw/zinc/12/53/88/154125388.db2.gz BQJPHKAWVOEBMC-SNVBAGLBSA-N -1 3 293.410 1.126 10 0 CDAEHM CC(C)n1cnc(S(=O)(=O)[N-]CC[C@@H]2CCOC2)c1 ZINC000541320301 289489631 /nfs/dbraw/zinc/48/96/31/289489631.db2.gz VYQQTIBDEANZJF-LLVKDONJSA-N -1 3 287.385 1.169 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CCn3cc(C)nc3C2)c1 ZINC000371736083 160046201 /nfs/dbraw/zinc/04/62/01/160046201.db2.gz NGHFOVBOTLHOKX-UHFFFAOYSA-N -1 3 287.319 1.562 10 0 CDAEHM Oc1[n-]c(NC2CCC3(CC3(F)F)CC2)nc2nncc1-2 ZINC000664493253 413436150 /nfs/dbraw/zinc/43/61/50/413436150.db2.gz CFQJXYGKLVGRHO-UHFFFAOYSA-N -1 3 295.293 1.812 10 0 CDAEHM NNc1ncccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000035358415 172149019 /nfs/dbraw/zinc/14/90/19/172149019.db2.gz SMIGLSWDQMWNJY-UHFFFAOYSA-N -1 3 282.300 1.307 10 0 CDAEHM Cc1ccc(CN(C)C(=O)CNCCC(=O)[O-])cc1 ZINC000035386160 172167860 /nfs/dbraw/zinc/16/78/60/172167860.db2.gz MQCWEHSVPSIEGJ-UHFFFAOYSA-N -1 3 264.325 1.018 10 0 CDAEHM O=C([O-])CCNCC(=O)Nc1ccc(F)cc1Cl ZINC000035386669 172168669 /nfs/dbraw/zinc/16/86/69/172168669.db2.gz KYEUPFNMXMJIGF-UHFFFAOYSA-N -1 3 274.679 1.482 10 0 CDAEHM COc1ccccc1NC(=O)CNCCCC(=O)[O-] ZINC000035415561 172190460 /nfs/dbraw/zinc/19/04/60/172190460.db2.gz OEBDMXFHXQBSRN-UHFFFAOYSA-N -1 3 266.297 1.088 10 0 CDAEHM C[C@@H](O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000035634411 172318346 /nfs/dbraw/zinc/31/83/46/172318346.db2.gz ZGBLMBBLDHRHNL-SSDOTTSWSA-N -1 3 283.271 1.581 10 0 CDAEHM C[C@@H]1CN(c2nc3nncc-3c(O)[n-]2)C[C@](C)(C(F)F)O1 ZINC000664687919 413596897 /nfs/dbraw/zinc/59/68/97/413596897.db2.gz PIWJZMILAMQNDN-SREIQFSDSA-N -1 3 299.281 1.307 10 0 CDAEHM C[C@H](Cc1nc(-c2cc(=O)[n-]cn2)no1)[C@@H]1CCCO1 ZINC000664912542 413727977 /nfs/dbraw/zinc/72/79/77/413727977.db2.gz ZXNMQKDUKRVWQB-SCZZXKLOSA-N -1 3 276.296 1.590 10 0 CDAEHM CO[C@@H](c1nc(-c2cc(=O)[n-]cn2)no1)C1CCC1 ZINC000664910319 413728515 /nfs/dbraw/zinc/72/85/15/413728515.db2.gz DCDISNPUXYKBLE-SNVBAGLBSA-N -1 3 262.269 1.720 10 0 CDAEHM COCCN(Cc1ncccc1C(=O)[O-])CC(C)C ZINC000311352358 413808039 /nfs/dbraw/zinc/80/80/39/413808039.db2.gz WNRXIFVHTPOLRF-UHFFFAOYSA-N -1 3 266.341 1.884 10 0 CDAEHM CC(C)(NC(=O)c1cc(=O)[n-]c(C2CC2)n1)C(F)F ZINC000655041010 413952501 /nfs/dbraw/zinc/95/25/01/413952501.db2.gz RDXXILWMDOCHJP-UHFFFAOYSA-N -1 3 271.267 1.833 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C)O2)o1 ZINC000657153756 413971062 /nfs/dbraw/zinc/97/10/62/413971062.db2.gz FVPMSCIZYLTKHN-KOLCDFICSA-N -1 3 273.354 1.824 10 0 CDAEHM CCc1nnc(SCC(=O)[O-])n1C1CCN(C)CC1 ZINC000037267677 173077896 /nfs/dbraw/zinc/07/78/96/173077896.db2.gz GVHZVIIPGIZWIQ-UHFFFAOYSA-N -1 3 284.385 1.284 10 0 CDAEHM COc1nc(N(C)C)sc1CNCCCC(=O)[O-] ZINC000037418489 173196406 /nfs/dbraw/zinc/19/64/06/173196406.db2.gz XSYQDRPGUXBJPH-UHFFFAOYSA-N -1 3 273.358 1.172 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1[O-] ZINC000665527945 414242670 /nfs/dbraw/zinc/24/26/70/414242670.db2.gz YEMLYRKSLZYGOJ-JSGCOSHPSA-N -1 3 288.347 1.371 10 0 CDAEHM CCC[C@H](NC(=O)[C@@H](N)CC1CCCCC1)C(=O)[O-] ZINC000311791133 414395979 /nfs/dbraw/zinc/39/59/79/414395979.db2.gz AGGMSQBXHVKJLZ-RYUDHWBXSA-N -1 3 270.373 1.654 10 0 CDAEHM O=C([O-])CN1CC[C@H](N(C2CC2)C2CCCC2)C1=O ZINC000662204608 414562065 /nfs/dbraw/zinc/56/20/65/414562065.db2.gz VLXFPJWKXKNAJT-LBPRGKRZSA-N -1 3 266.341 1.079 10 0 CDAEHM CC[C@H](N)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000040471597 174280180 /nfs/dbraw/zinc/28/01/80/174280180.db2.gz UIGMRECTVLDNJL-QMMMGPOBSA-N -1 3 256.689 1.714 10 0 CDAEHM CC[C@@H](C)[C@H](NC(=O)C[C@H](N)c1ccccc1)C(=O)[O-] ZINC000040472367 174280692 /nfs/dbraw/zinc/28/06/92/174280692.db2.gz JUEQMBTYEUWIOP-OSMZGAPFSA-N -1 3 278.352 1.692 10 0 CDAEHM CC(C)C[C@@H](N)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000040473763 174281984 /nfs/dbraw/zinc/28/19/84/174281984.db2.gz SQXYTSAIPJGYJI-SECBINFHSA-N -1 3 268.288 1.836 10 0 CDAEHM CCC[C@@](C)(N)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000040480026 174284412 /nfs/dbraw/zinc/28/44/12/174284412.db2.gz DKJYXEITQPXDDQ-CYBMUJFWSA-N -1 3 268.288 1.980 10 0 CDAEHM Cc1ccc(N(CC(=O)[O-])C(=O)[C@](C)(N)C2CC2)cc1 ZINC000040483843 174286769 /nfs/dbraw/zinc/28/67/69/174286769.db2.gz NBQOBUOZZQIZIL-OAHLLOKOSA-N -1 3 276.336 1.540 10 0 CDAEHM CC(C)N(CCCC(=O)[O-])C(=O)[C@H]1CCCCN1 ZINC000040485341 174288672 /nfs/dbraw/zinc/28/86/72/174288672.db2.gz HATOKSOKEGDTDS-LLVKDONJSA-N -1 3 256.346 1.230 10 0 CDAEHM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCCCN1 ZINC000040486791 174289824 /nfs/dbraw/zinc/28/98/24/174289824.db2.gz ONBUFQYUUCDWSU-KBPBESRZSA-N -1 3 288.347 1.167 10 0 CDAEHM CCCn1cc(S(=O)(=O)[N-]CC(C)(C)C)c(N)n1 ZINC000040494608 174293624 /nfs/dbraw/zinc/29/36/24/174293624.db2.gz FKMRXDADMMITGC-UHFFFAOYSA-N -1 3 274.390 1.200 10 0 CDAEHM CC(C)NCC(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000043413723 175037550 /nfs/dbraw/zinc/03/75/50/175037550.db2.gz CLTYTLVJKZOBIT-UHFFFAOYSA-N -1 3 270.373 1.526 10 0 CDAEHM C[C@@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])N1[C@@H](C)CC[C@@H]1C ZINC000043559513 175065980 /nfs/dbraw/zinc/06/59/80/175065980.db2.gz JOCZCQPGDVFGKE-ZDEQEGDKSA-N -1 3 282.384 1.713 10 0 CDAEHM CCOc1cccc(CNC)c1O[C@@H](C)C(=O)[O-] ZINC000043624526 175081394 /nfs/dbraw/zinc/08/13/94/175081394.db2.gz XJYBSHPBKJHATR-VIFPVBQESA-N -1 3 253.298 1.657 10 0 CDAEHM COc1cccc(CNC2CC2)c1O[C@H](C)C(=O)[O-] ZINC000043625039 175081685 /nfs/dbraw/zinc/08/16/85/175081685.db2.gz MUVXEHGQAZSXTJ-SECBINFHSA-N -1 3 265.309 1.799 10 0 CDAEHM CN1CCCC[C@H]1CNc1ccc(C(=O)[O-])nn1 ZINC000044565130 175208216 /nfs/dbraw/zinc/20/82/16/175208216.db2.gz UOVKVALZDULGDA-VIFPVBQESA-N -1 3 250.302 1.071 10 0 CDAEHM CCCC[C@H](NC(=O)NC[C@H]1CCCCN1C)C(=O)[O-] ZINC000044565637 175208375 /nfs/dbraw/zinc/20/83/75/175208375.db2.gz QPVUYVMMBQCAPT-NEPJUHHUSA-N -1 3 285.388 1.413 10 0 CDAEHM NC1(C(=O)N2CCc3sccc3[C@H]2C(=O)[O-])CCCC1 ZINC000044592644 175213817 /nfs/dbraw/zinc/21/38/17/175213817.db2.gz VKXHJDKVWMHWDH-NSHDSACASA-N -1 3 294.376 1.530 10 0 CDAEHM CC[C@@H](C(=O)[O-])N(C)Cc1ccc(C(N)=O)cc1F ZINC000044622270 175220649 /nfs/dbraw/zinc/22/06/49/175220649.db2.gz ZHVZVMXQRXNSIB-NSHDSACASA-N -1 3 268.288 1.220 10 0 CDAEHM Cc1cc(NC(=O)N[C@@H]2CCN(C)C2)ccc1C(=O)[O-] ZINC000044750912 175245280 /nfs/dbraw/zinc/24/52/80/175245280.db2.gz IVSSFRKCDZWAQG-LLVKDONJSA-N -1 3 277.324 1.519 10 0 CDAEHM C[C@@H](NCc1ccc(Br)cc1)c1nn[n-]n1 ZINC000044887975 175271846 /nfs/dbraw/zinc/27/18/46/175271846.db2.gz VXDYFNXAWYNNGI-SSDOTTSWSA-N -1 3 282.145 1.813 10 0 CDAEHM CC[C@@H](NCc1nn[n-]n1)c1ccc(OC)c(OC)c1 ZINC000044928129 175277792 /nfs/dbraw/zinc/27/77/92/175277792.db2.gz DNTRDTMSXLSIKE-SNVBAGLBSA-N -1 3 277.328 1.458 10 0 CDAEHM Cc1nnc(SCC(=O)[O-])n1C[C@H](C)N1CCCCC1 ZINC000045005302 175288278 /nfs/dbraw/zinc/28/82/78/175288278.db2.gz CVNIPHWGXVXADN-JTQLQIEISA-N -1 3 298.412 1.638 10 0 CDAEHM CCCC[C@@H](NC(=O)NC[C@H](C)N1CCCCC1)C(=O)[O-] ZINC000045013291 175290432 /nfs/dbraw/zinc/29/04/32/175290432.db2.gz DZFNIPFMOSNSIA-QWHCGFSZSA-N -1 3 299.415 1.803 10 0 CDAEHM C[C@H](CNC(=O)N(CC(=O)[O-])C1CC1)N1CCCCC1 ZINC000045013327 175290496 /nfs/dbraw/zinc/29/04/96/175290496.db2.gz TUDAEGWMNLUVEU-LLVKDONJSA-N -1 3 283.372 1.119 10 0 CDAEHM CCCN(CC(N)=S)C(=O)c1cccc(OC)c1[O-] ZINC000045093215 175306304 /nfs/dbraw/zinc/30/63/04/175306304.db2.gz FZQCNBZYZMPYBP-UHFFFAOYSA-N -1 3 282.365 1.539 10 0 CDAEHM CN(CC(F)(F)F)C[C@](N)(C(=O)[O-])c1ccccc1 ZINC000045272501 175343424 /nfs/dbraw/zinc/34/34/24/175343424.db2.gz NPFIMMPGYLAHQN-LLVKDONJSA-N -1 3 276.258 1.419 10 0 CDAEHM N[C@H](C(=O)[O-])[C@@H]1CSCCN1Cc1ccccc1 ZINC000076699619 177062029 /nfs/dbraw/zinc/06/20/29/177062029.db2.gz WECIVYFBWAKUDI-RYUDHWBXSA-N -1 3 266.366 1.016 10 0 CDAEHM C[C@@H](CCC(=O)[O-])N[C@@H](C)c1nnc2n1CCC2 ZINC000080177806 177618376 /nfs/dbraw/zinc/61/83/76/177618376.db2.gz KHFBNRLZNKZQOY-IUCAKERBSA-N -1 3 252.318 1.128 10 0 CDAEHM COc1cc(=NC(=O)[C@@H](C)CC(C)(C)C)[n-]n1C ZINC000548143891 289849967 /nfs/dbraw/zinc/84/99/67/289849967.db2.gz RUWHFFYQNTZAFL-VIFPVBQESA-N -1 3 253.346 1.861 10 0 CDAEHM COCCOC[C@@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000272720983 263008219 /nfs/dbraw/zinc/00/82/19/263008219.db2.gz HHDNHVQUUDIWGZ-GFCCVEGCSA-N -1 3 279.336 1.517 10 0 CDAEHM O=S(=O)([N-]C1(C2CCC2)CC1)c1cscn1 ZINC000651871787 423839194 /nfs/dbraw/zinc/83/91/94/423839194.db2.gz CYHCHFSUPXXMQV-UHFFFAOYSA-N -1 3 258.368 1.754 10 0 CDAEHM O=C(N[C@@H](CO)CCF)c1cc2c(cc1[O-])CCCC2 ZINC000652914781 423842456 /nfs/dbraw/zinc/84/24/56/423842456.db2.gz ZERRHNJXDWFAKF-GFCCVEGCSA-N -1 3 281.327 1.721 10 0 CDAEHM Cn1nccc1[C@@H]1COCCN1C(=O)c1cccc([O-])c1 ZINC000652983002 424063574 /nfs/dbraw/zinc/06/35/74/424063574.db2.gz ODGPHSRQQCRUOF-AWEZNQCLSA-N -1 3 287.319 1.339 10 0 CDAEHM O=C(c1c([O-])cccc1O)N1CC[C@]2(CC2(F)F)C1 ZINC000653042563 424149162 /nfs/dbraw/zinc/14/91/62/424149162.db2.gz SUNIPECXMJBWBL-LBPRGKRZSA-N -1 3 269.247 1.969 10 0 CDAEHM COCC1(C[N-]S(=O)(=O)c2sccc2OC)CC1 ZINC000655639608 424255916 /nfs/dbraw/zinc/25/59/16/424255916.db2.gz QLNQGOCRBRMHTN-UHFFFAOYSA-N -1 3 291.394 1.462 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1ccn(C)n1)[C@@H]1CCCCO1 ZINC000655664397 424329658 /nfs/dbraw/zinc/32/96/58/424329658.db2.gz IDQXTQLREXKSQG-QWRGUYRKSA-N -1 3 287.385 1.046 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1ccccn1)[C@H]1CCCCO1 ZINC000655667536 424334738 /nfs/dbraw/zinc/33/47/38/424334738.db2.gz XFQLXSQOIVMZCB-NWDGAFQWSA-N -1 3 284.381 1.708 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1ccccn1)[C@@H]1CCCCO1 ZINC000655667537 424334989 /nfs/dbraw/zinc/33/49/89/424334989.db2.gz XFQLXSQOIVMZCB-RYUDHWBXSA-N -1 3 284.381 1.708 10 0 CDAEHM CC[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000651976281 424549784 /nfs/dbraw/zinc/54/97/84/424549784.db2.gz DFCHGSPABNGGPB-GRYCIOLGSA-N -1 3 291.399 1.717 10 0 CDAEHM C[C@H](C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1)C(C)(F)F ZINC000651976518 424552235 /nfs/dbraw/zinc/55/22/35/424552235.db2.gz QCNQYAFKZNTPGB-HTQZYQBOSA-N -1 3 287.314 1.182 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCC(C2(O)CC2)CC1 ZINC000652662000 424610168 /nfs/dbraw/zinc/61/01/68/424610168.db2.gz FSGTXTKGKPAYCJ-UHFFFAOYSA-N -1 3 277.320 1.475 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2C(=O)[C@H]2CC23CCC3)nc1=N ZINC000651978606 424605333 /nfs/dbraw/zinc/60/53/33/424605333.db2.gz VOKCLIYEKHZZFM-NXEZZACHSA-N -1 3 275.356 1.081 10 0 CDAEHM Cc1c(CN(C)C(=O)Cc2ccc([O-])c(F)c2)cnn1C ZINC000514581585 266004615 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CCc1cc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)ccn1 ZINC000530176878 271131971 /nfs/dbraw/zinc/13/19/71/271131971.db2.gz KLAPKWWAYCJMNN-SKDRFNHKSA-N -1 3 250.298 1.322 10 0 CDAEHM COc1cc(C(=O)N2CCCC[C@H]2CC(N)=O)ccc1[O-] ZINC000357603824 277367923 /nfs/dbraw/zinc/36/79/23/277367923.db2.gz KVYYVJUUIRBIGQ-NSHDSACASA-N -1 3 292.335 1.271 10 0 CDAEHM CC(C)C[C@@H](NC(=O)[C@H]1NCCCC1(C)C)C(=O)[O-] ZINC000232618476 279000442 /nfs/dbraw/zinc/00/04/42/279000442.db2.gz UODPGBGEJQLUQE-GHMZBOCLSA-N -1 3 270.373 1.380 10 0 CDAEHM O=C(NCC1CC(O)C1)c1c[n-]c2ccccc2c1=O ZINC000091524275 279284821 /nfs/dbraw/zinc/28/48/21/279284821.db2.gz OCWIVMGTAZNLGQ-UHFFFAOYSA-N -1 3 272.304 1.029 10 0 CDAEHM COCCC1(C)CN(Cc2nc(C)ccc2[O-])C1 ZINC000297511937 280590746 /nfs/dbraw/zinc/59/07/46/280590746.db2.gz XJMADRYFDZFLTH-UHFFFAOYSA-N -1 3 250.342 1.954 10 0 CDAEHM Cc1cnc(CNC(=O)NCc2ncccc2[O-])s1 ZINC000527454843 281138571 /nfs/dbraw/zinc/13/85/71/281138571.db2.gz BSHGGVGWZZFHGI-UHFFFAOYSA-N -1 3 278.337 1.552 10 0 CDAEHM 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289.314 1.344 10 0 CDAEHM O=C(NCc1ncccc1[O-])Nc1cnc(CC2CC2)nc1 ZINC000556734753 290290434 /nfs/dbraw/zinc/29/04/34/290290434.db2.gz ZTXOGSJUNJSSPI-UHFFFAOYSA-N -1 3 299.334 1.851 10 0 CDAEHM Cc1cc(C)n([C@@H](C)C(=O)N=c2cc3ccccn3[n-]2)n1 ZINC000557534133 290350671 /nfs/dbraw/zinc/35/06/71/290350671.db2.gz VCVDJDVOVQVTFB-LBPRGKRZSA-N -1 3 283.335 1.769 10 0 CDAEHM Cn1cc(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)cn1 ZINC000558683002 290416334 /nfs/dbraw/zinc/41/63/34/290416334.db2.gz BWLBPGFPLZGJFC-UHFFFAOYSA-N -1 3 285.291 1.287 10 0 CDAEHM C[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC000562646931 293164372 /nfs/dbraw/zinc/16/43/72/293164372.db2.gz FIICQILPDHYQFB-JTQLQIEISA-N -1 3 285.351 1.919 10 0 CDAEHM C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC000562646931 293164373 /nfs/dbraw/zinc/16/43/73/293164373.db2.gz FIICQILPDHYQFB-JTQLQIEISA-N -1 3 285.351 1.919 10 0 CDAEHM COc1cc(=NC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)[n-]n1C ZINC000562687572 293175049 /nfs/dbraw/zinc/17/50/49/293175049.db2.gz 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ZINC000668401527 482422001 /nfs/dbraw/zinc/42/20/01/482422001.db2.gz XVJOZDHNNSPGRW-SECBINFHSA-N -1 3 267.350 1.975 10 0 CDAEHM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000282161873 482463317 /nfs/dbraw/zinc/46/33/17/482463317.db2.gz LFTVCFKEXOBPSK-MEBBXXQBSA-N -1 3 298.342 1.800 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)[C@H](C)c2cncnc2)n1 ZINC000683919693 482552541 /nfs/dbraw/zinc/55/25/41/482552541.db2.gz XIULJKOQCRDXML-SECBINFHSA-N -1 3 258.281 1.628 10 0 CDAEHM O=C(N=c1[nH][n-]cc1Br)C1(CF)CCC1 ZINC000335488031 482835655 /nfs/dbraw/zinc/83/56/55/482835655.db2.gz NEGNTRUGJSGVME-UHFFFAOYSA-N -1 3 276.109 1.672 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)[C@H]2CCCSC2)n[n-]1 ZINC000685791016 482842755 /nfs/dbraw/zinc/84/27/55/482842755.db2.gz LDIICASQUZXPKY-VIFPVBQESA-N -1 3 291.380 1.892 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)[C@H]2CCCSC2)[n-]n1 ZINC000685791016 482842761 /nfs/dbraw/zinc/84/27/61/482842761.db2.gz LDIICASQUZXPKY-VIFPVBQESA-N -1 3 291.380 1.892 10 0 CDAEHM CCN1CC[C@H](NC(=O)c2ccc(C)c(C)c2[O-])C1=O ZINC000670170129 482936906 /nfs/dbraw/zinc/93/69/06/482936906.db2.gz IHIVENGHWTWVHI-LBPRGKRZSA-N -1 3 276.336 1.360 10 0 CDAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CCc2ncccc2C1 ZINC000669712463 482994000 /nfs/dbraw/zinc/99/40/00/482994000.db2.gz JSKATVPHCUUQKL-UHFFFAOYSA-N -1 3 297.293 1.691 10 0 CDAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CCc2ncccc2C1 ZINC000669712463 482994002 /nfs/dbraw/zinc/99/40/02/482994002.db2.gz JSKATVPHCUUQKL-UHFFFAOYSA-N -1 3 297.293 1.691 10 0 CDAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CCc2ncccc2C1 ZINC000669712463 482994005 /nfs/dbraw/zinc/99/40/05/482994005.db2.gz JSKATVPHCUUQKL-UHFFFAOYSA-N -1 3 297.293 1.691 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2cc(C)ncn2)o1 ZINC000678618014 483131869 /nfs/dbraw/zinc/13/18/69/483131869.db2.gz BNYIUHOBCSHYMK-UHFFFAOYSA-N -1 3 267.310 1.165 10 0 CDAEHM O=C(c1cccc2[n-]nnc21)N1CCC[C@@H](OC(F)F)C1 ZINC000682165696 483158309 /nfs/dbraw/zinc/15/83/09/483158309.db2.gz YYKZNWALAJEGCB-MRVPVSSYSA-N -1 3 296.277 1.802 10 0 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O=S(=O)(C[C@H]1CCCC1(F)F)[N-]CC1OCCCO1 ZINC000867161737 746372125 /nfs/dbraw/zinc/37/21/25/746372125.db2.gz NKYCFXBUVHQQRP-SECBINFHSA-N -1 3 299.339 1.104 10 0 CDAEHM O=C(NCc1cccnc1F)c1c([O-])cccc1O ZINC000795552044 746448840 /nfs/dbraw/zinc/44/88/40/746448840.db2.gz SSUUHCCDYRSWBA-UHFFFAOYSA-N -1 3 262.240 1.562 10 0 CDAEHM O=C([O-])[C@H](CN1CCCCC1)NC(=O)OC1CCCCC1 ZINC000926465416 746652829 /nfs/dbraw/zinc/65/28/29/746652829.db2.gz SWQADQPJJADEIV-ZDUSSCGKSA-N -1 3 298.383 1.984 10 0 CDAEHM CN(C)[C@@H](CNC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000397048407 746690948 /nfs/dbraw/zinc/69/09/48/746690948.db2.gz DDWFAAQDGYBQLC-RDBSUJKOSA-N -1 3 290.363 1.516 10 0 CDAEHM CO[C@@H](COC(=O)c1cnn[n-]1)C1CCCCC1 ZINC000849776374 746806338 /nfs/dbraw/zinc/80/63/38/746806338.db2.gz JYRNBAKUQSRTGY-NSHDSACASA-N -1 3 253.302 1.557 10 0 CDAEHM CO[C@@H](COC(=O)c1c[n-]nn1)C1CCCCC1 ZINC000849776374 746806343 /nfs/dbraw/zinc/80/63/43/746806343.db2.gz JYRNBAKUQSRTGY-NSHDSACASA-N -1 3 253.302 1.557 10 0 CDAEHM C[C@H](COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)C1CC1 ZINC000789606047 746817845 /nfs/dbraw/zinc/81/78/45/746817845.db2.gz FRCOUGMKGLZIBM-MWLCHTKSSA-N -1 3 291.413 1.540 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC23CC3)nn1 ZINC000867580218 746843493 /nfs/dbraw/zinc/84/34/93/746843493.db2.gz WSKPXRPERABNNT-SNVBAGLBSA-N -1 3 267.354 1.396 10 0 CDAEHM CCN1CC[C@H]1CNC(=O)c1c([O-])cccc1F ZINC000712289153 746845565 /nfs/dbraw/zinc/84/55/65/746845565.db2.gz DYRXTZVIXOPNRR-VIFPVBQESA-N -1 3 252.289 1.355 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCCCCC(C)=O ZINC000867356330 746862342 /nfs/dbraw/zinc/86/23/42/746862342.db2.gz FTADLIVLPFYAAY-KRWDZBQOSA-N -1 3 298.430 1.088 10 0 CDAEHM O=C(N[C@@H]1C[C@H](O)C12CCC2)c1nnc2ccccc2c1[O-] ZINC000855924982 746894133 /nfs/dbraw/zinc/89/41/33/746894133.db2.gz NWKWQDHMYAIUPA-NEPJUHHUSA-N -1 3 299.330 1.369 10 0 CDAEHM O=C(NCC[C@@H](O)C(F)F)c1nnc2ccccc2c1[O-] ZINC000870420353 746910660 /nfs/dbraw/zinc/91/06/60/746910660.db2.gz UKZCIHOENRCYKW-SECBINFHSA-N 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/nfs/dbraw/zinc/72/09/60/747720960.db2.gz YBYPEMDGJBONGR-QMMMGPOBSA-N -1 3 266.301 1.244 10 0 CDAEHM O=C(NC[C@H]1CCC2(CCC2)O1)c1ccc(O)cc1[O-] ZINC000711413878 747817406 /nfs/dbraw/zinc/81/74/06/747817406.db2.gz KMMWMCQKFLRTGQ-LLVKDONJSA-N -1 3 277.320 1.929 10 0 CDAEHM CN(C)c1ccc([S@](C)(=O)=NC(=O)c2nc[n-]n2)cc1 ZINC000913501527 747858957 /nfs/dbraw/zinc/85/89/57/747858957.db2.gz QKOQKDILQQSMBU-FQEVSTJZSA-N -1 3 293.352 1.168 10 0 CDAEHM COC(=O)/C(C)=C/CNC(=O)c1c(C)cccc1[O-] ZINC000927978619 747875421 /nfs/dbraw/zinc/87/54/21/747875421.db2.gz VXHNXQHDCAZKKP-JXMROGBWSA-N -1 3 263.293 1.550 10 0 CDAEHM CCO[C@@H]1COCC[C@@H]1CC(=O)[N-]OC[C@H](C)CC ZINC000868522961 747992851 /nfs/dbraw/zinc/99/28/51/747992851.db2.gz QPLIPBZNSJYORH-JHJVBQTASA-N -1 3 273.373 1.912 10 0 CDAEHM O=S(=O)([N-]CC[C@@H](O)c1ccccc1)c1cscn1 ZINC000827227815 748034758 /nfs/dbraw/zinc/03/47/58/748034758.db2.gz LJCVXEVFWKDILJ-LLVKDONJSA-N -1 3 298.389 1.545 10 0 CDAEHM O=S(=O)([N-][C@@H]1CCn2ccnc21)c1cccnc1Cl ZINC000831745236 748043049 /nfs/dbraw/zinc/04/30/49/748043049.db2.gz WFVONHMROZLUMB-MRVPVSSYSA-N -1 3 298.755 1.355 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2C2CC2)nn1 ZINC000867403300 748193576 /nfs/dbraw/zinc/19/35/76/748193576.db2.gz YVRMBGRUUJBPHE-CHWSQXEVSA-N -1 3 295.408 1.890 10 0 CDAEHM CC1(C[N-]S(=O)(=O)CC2CCCCC2)OCCCO1 ZINC000192223271 748317981 /nfs/dbraw/zinc/31/79/81/748317981.db2.gz HXPPSTNTMZQJNO-UHFFFAOYSA-N -1 3 291.413 1.639 10 0 CDAEHM C[C@H]([N-]S(=O)(=O)c1c[nH]nc1Cl)c1ccns1 ZINC000859399637 748319824 /nfs/dbraw/zinc/31/98/24/748319824.db2.gz CTXAXGSKLPGKPK-YFKPBYRVSA-N -1 3 292.773 1.559 10 0 CDAEHM Cc1nonc1[N-]C(=O)c1nc2c(s1)CCC2 ZINC000841095577 748324343 /nfs/dbraw/zinc/32/43/43/748324343.db2.gz ZLNNUDSGRPACGT-UHFFFAOYSA-N -1 3 250.283 1.576 10 0 CDAEHM COc1nccc(CSCc2nc(C)cc(=O)[n-]2)n1 ZINC000842175549 748572040 /nfs/dbraw/zinc/57/20/40/748572040.db2.gz TWFFYHPUDKVLLV-UHFFFAOYSA-N -1 3 278.337 1.723 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCC1=CCCCC1 ZINC000866383848 748634516 /nfs/dbraw/zinc/63/45/16/748634516.db2.gz CDRXQRQPIOAZLG-KRWDZBQOSA-N -1 3 294.442 1.829 10 0 CDAEHM Cn1cc(CN2CCC[C@@H](CCF)C2)c(C(=O)[O-])n1 ZINC000864786945 748592868 /nfs/dbraw/zinc/59/28/68/748592868.db2.gz ATAKWKWUBVCWRO-JTQLQIEISA-N -1 3 269.320 1.690 10 0 CDAEHM CS(C)(=O)=NS(=O)(=O)[N-]CC1CCC(F)CC1 ZINC000867452988 748628799 /nfs/dbraw/zinc/62/87/99/748628799.db2.gz JCYFLKLNWMKUSI-UHFFFAOYSA-N -1 3 286.394 1.077 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccns2)s1 ZINC000859400049 748717850 /nfs/dbraw/zinc/71/78/50/748717850.db2.gz CSWTWBVETWTDAU-LURJTMIESA-N -1 3 289.407 1.948 10 0 CDAEHM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@]12C[C@H]1CCC2 ZINC000922091777 748760224 /nfs/dbraw/zinc/76/02/24/748760224.db2.gz NHLORAYAVCFDHW-BHOZQUNFSA-N -1 3 294.442 1.660 10 0 CDAEHM CC[C@@H](C)c1cccc(NC(=O)[N-]OCC(N)=O)c1 ZINC000861316817 748809302 /nfs/dbraw/zinc/80/93/02/748809302.db2.gz FLNFDPXHRHXOFA-SECBINFHSA-N -1 3 265.313 1.739 10 0 CDAEHM C=C(C)C[C@@H](C)C(=O)N[N-]C(=O)c1ncccc1C ZINC000184275139 749052388 /nfs/dbraw/zinc/05/23/88/749052388.db2.gz BIWPGLUDUPFHMJ-LLVKDONJSA-N -1 3 261.325 1.753 10 0 CDAEHM CC[C@@H](C)CC[C@@H](O)CC(=O)Nc1n[n-]c(OC)n1 ZINC000793760500 749357256 /nfs/dbraw/zinc/35/72/56/749357256.db2.gz NUUKSSWTKWVQAD-RKDXNWHRSA-N -1 3 270.333 1.329 10 0 CDAEHM CC[C@@H](C)CC[C@@H](O)CC(=O)Nc1nnc(OC)[n-]1 ZINC000793760500 749357248 /nfs/dbraw/zinc/35/72/48/749357248.db2.gz NUUKSSWTKWVQAD-RKDXNWHRSA-N -1 3 270.333 1.329 10 0 CDAEHM CC[C@@H](C)CC[C@@H](O)CC(=O)Nc1nc(OC)n[n-]1 ZINC000793760500 749357263 /nfs/dbraw/zinc/35/72/63/749357263.db2.gz NUUKSSWTKWVQAD-RKDXNWHRSA-N -1 3 270.333 1.329 10 0 CDAEHM CC/C=C/CCN1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001483644994 912230084 /nfs/dbraw/zinc/23/00/84/912230084.db2.gz DAAXNRDAFPFFSS-OOPCZODUSA-N -1 3 289.379 1.948 10 0 CDAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC001647324904 1168561798 /nfs/dbraw/zinc/56/17/98/1168561798.db2.gz DQLKEWHVBRYMRB-GJTWSCIVSA-N -1 3 293.367 1.351 10 0 CDAEHM CCc1cccc(C(=O)N2CC[C@@H](C)[C@H](O)C2)c1[O-] ZINC000089415228 894166280 /nfs/dbraw/zinc/16/62/80/894166280.db2.gz PWDKGRLKAISDRD-ZWNOBZJWSA-N -1 3 263.337 1.798 10 0 CDAEHM O=c1cc(N2CCO[C@H](C(F)(F)F)CC2)nc[n-]1 ZINC000686838802 900553805 /nfs/dbraw/zinc/55/38/05/900553805.db2.gz AXWWSZDTLZSCBI-ZETCQYMHSA-N -1 3 263.219 1.340 10 0 CDAEHM O=C([N-]c1cnsn1)c1nc(Cl)ccc1F ZINC001271749608 906770283 /nfs/dbraw/zinc/77/02/83/906770283.db2.gz QMJWZUUJLQRLEZ-UHFFFAOYSA-N -1 3 258.665 1.978 10 0 CDAEHM O=c1cc(N2CCO[C@@H](CC(F)(F)F)C2)nc[n-]1 ZINC000698178815 911356573 /nfs/dbraw/zinc/35/65/73/911356573.db2.gz JLMSQQDNOPMUGZ-ZETCQYMHSA-N -1 3 263.219 1.340 10 0 CDAEHM O=c1cc(CNc2ccc3nccnc3n2)nc(C2CC2)[n-]1 ZINC001187615128 920592223 /nfs/dbraw/zinc/59/22/23/920592223.db2.gz GRIVUKLJTBPSIX-UHFFFAOYSA-N -1 3 294.318 1.383 10 0 CDAEHM C=CC(=O)N(C)CC(=O)Nc1c([O-])cccc1Cl ZINC001141468948 936878300 /nfs/dbraw/zinc/87/83/00/936878300.db2.gz DONHEPVGEBRXHF-UHFFFAOYSA-N -1 3 268.700 1.629 10 0 CDAEHM CCCCNC(=O)CN1CCC[C@@](CC)(C(=O)[O-])C1 ZINC000062877200 928517482 /nfs/dbraw/zinc/51/74/82/928517482.db2.gz OZRFEORNLSCGRK-CQSZACIVSA-N -1 3 270.373 1.480 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)C(=O)c2ccc(F)cc2)n1 ZINC001144555571 931897334 /nfs/dbraw/zinc/89/73/34/931897334.db2.gz KBTRJZUKPRGFIJ-UHFFFAOYSA-N -1 3 289.266 1.129 10 0 CDAEHM COc1coc(CN2[C@@H](C)CC[C@H]2C(=O)[O-])cc1=O ZINC001118295006 937613798 /nfs/dbraw/zinc/61/37/98/937613798.db2.gz IARFKSMAVLUQPM-WPRPVWTQSA-N -1 3 267.281 1.086 10 0 CDAEHM CN(Cc1cc(=O)[n-]c(C2CC2)n1)Cc1ncccn1 ZINC001413051009 935350338 /nfs/dbraw/zinc/35/03/38/935350338.db2.gz UCAKFZOZNNFCPX-UHFFFAOYSA-N -1 3 271.324 1.482 10 0 CDAEHM O=c1[n-]c(C2CC2)nc2c1CN(CCn1cccn1)C2 ZINC001413056182 935513798 /nfs/dbraw/zinc/51/37/98/935513798.db2.gz HGYQWGFQRMKYAJ-UHFFFAOYSA-N -1 3 271.324 1.272 10 0 CDAEHM CCOc1nnc(NC(=O)[C@@H]2C[C@H]2c2ccncc2)[n-]1 ZINC001413434200 936035984 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293.371 1.104 10 0 CDAEHM CCC[C@H](O)CCNC(=O)c1cc(F)cc2n[n-]nc21 ZINC001420352395 962777264 /nfs/dbraw/zinc/77/72/64/962777264.db2.gz NHZNOTXPFMEOAJ-VIFPVBQESA-N -1 3 280.303 1.378 10 0 CDAEHM NC(=O)CSc1ccccc1[N-]C(=O)c1n[nH]cc1F ZINC001440661712 964130212 /nfs/dbraw/zinc/13/02/12/964130212.db2.gz VQRAZQUWRHXNFD-UHFFFAOYSA-N -1 3 294.311 1.379 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC2CC=CC2)c1 ZINC001557366658 965169398 /nfs/dbraw/zinc/16/93/98/965169398.db2.gz RGENWPAAPWXBIR-UHFFFAOYSA-N -1 3 272.304 1.965 10 0 CDAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CCc2ncccc21 ZINC001558562756 965318964 /nfs/dbraw/zinc/31/89/64/965318964.db2.gz BLUOUSQRFAHMOO-UHFFFAOYSA-N -1 3 283.266 1.695 10 0 CDAEHM O=C([O-])[C@@H](NCc1cccnc1Cl)[C@@H]1CCCO1 ZINC001348503049 966028681 /nfs/dbraw/zinc/02/86/81/966028681.db2.gz PNFQSPGBLHSBCF-UWVGGRQHSA-N -1 3 270.716 1.457 10 0 CDAEHM CCc1onc(C)c1[N-]C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001446182954 966478256 /nfs/dbraw/zinc/47/82/56/966478256.db2.gz 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273.354 1.822 10 0 CDAEHM CCc1ccc(S(=O)(=O)[N-]c2ccc(=O)[nH]c2)s1 ZINC000074826620 356941030 /nfs/dbraw/zinc/94/10/30/356941030.db2.gz JBBFAQOORDWBTQ-UHFFFAOYSA-N -1 3 284.362 1.800 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)c2c(C)noc2C)c1 ZINC000080755216 538752919 /nfs/dbraw/zinc/75/29/19/538752919.db2.gz RKASXUVJBNYOMY-VIFPVBQESA-N -1 3 298.368 1.547 10 0 CDAEHM CC(Cl)(Cl)C(=O)[N-][C@H]1CCCn2ncnc21 ZINC000181710176 357375723 /nfs/dbraw/zinc/37/57/23/357375723.db2.gz STUKEVUEFIDDSI-LURJTMIESA-N -1 3 263.128 1.423 10 0 CDAEHM CC(C)[C@H](O)C[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC000185836457 357582173 /nfs/dbraw/zinc/58/21/73/357582173.db2.gz HNRRLUSVDSYJIV-GFCCVEGCSA-N -1 3 298.364 1.264 10 0 CDAEHM CC(C)C(=O)C[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000185928540 357593858 /nfs/dbraw/zinc/59/38/58/357593858.db2.gz GNMAAJZHQYVMJF-BQYQJAHWSA-N -1 3 285.340 1.941 10 0 CDAEHM COc1cccc(Cl)c1CC(=O)[N-]OC[C@H]1CCOC1 ZINC000187938869 357825992 /nfs/dbraw/zinc/82/59/92/357825992.db2.gz 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/nfs/dbraw/zinc/11/67/85/358116785.db2.gz TYWLMXIGSBKCOU-IUCAKERBSA-N -1 3 276.296 1.818 10 0 CDAEHM C[C@@H]1OCCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000191157642 358116790 /nfs/dbraw/zinc/11/67/90/358116790.db2.gz TYWLMXIGSBKCOU-IUCAKERBSA-N -1 3 276.296 1.818 10 0 CDAEHM COc1nnc(NC(=O)Cc2ccc(F)c(F)c2)[n-]1 ZINC000129531108 358287779 /nfs/dbraw/zinc/28/77/79/358287779.db2.gz SKOMWWVTWKGGEK-UHFFFAOYSA-N -1 3 268.223 1.273 10 0 CDAEHM COc1nc(NC(=O)Cc2ccc(F)c(F)c2)n[n-]1 ZINC000129531108 358287781 /nfs/dbraw/zinc/28/77/81/358287781.db2.gz SKOMWWVTWKGGEK-UHFFFAOYSA-N -1 3 268.223 1.273 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2ccc(F)c(F)c2)n1 ZINC000129531108 358287785 /nfs/dbraw/zinc/28/77/85/358287785.db2.gz SKOMWWVTWKGGEK-UHFFFAOYSA-N -1 3 268.223 1.273 10 0 CDAEHM COc1cccc(C(=O)N[C@@H](C)C(=O)OC(C)(C)C)c1[O-] ZINC000129361952 358284605 /nfs/dbraw/zinc/28/46/05/358284605.db2.gz CJGPJQIYUUSHRU-VIFPVBQESA-N -1 3 295.335 1.861 10 0 CDAEHM COc1cc(NC(=O)c2ccc([O-])c(C)c2)nn1C ZINC000388521893 358416576 /nfs/dbraw/zinc/41/65/76/358416576.db2.gz MEYJBXMIGSNZTI-UHFFFAOYSA-N -1 3 261.281 1.695 10 0 CDAEHM CSc1nnc(NC(=O)COc2ccc(O)cc2)[n-]1 ZINC000345723499 358846226 /nfs/dbraw/zinc/84/62/26/358846226.db2.gz VNJNIGXXYBINAG-UHFFFAOYSA-N -1 3 280.309 1.250 10 0 CDAEHM CSc1n[n-]c(NC(=O)COc2ccc(O)cc2)n1 ZINC000345723499 358846229 /nfs/dbraw/zinc/84/62/29/358846229.db2.gz VNJNIGXXYBINAG-UHFFFAOYSA-N -1 3 280.309 1.250 10 0 CDAEHM CSc1nc(NC(=O)COc2ccc(O)cc2)n[n-]1 ZINC000345723499 358846232 /nfs/dbraw/zinc/84/62/32/358846232.db2.gz VNJNIGXXYBINAG-UHFFFAOYSA-N -1 3 280.309 1.250 10 0 CDAEHM CO[C@H](C)c1nsc(=NCCN(C)C(C)C)[n-]1 ZINC000336717663 366520798 /nfs/dbraw/zinc/52/07/98/366520798.db2.gz UREORSDWPJDYFL-SECBINFHSA-N -1 3 258.391 1.420 10 0 CDAEHM CO[C@H](C)c1nc(=NCCN(C)C(C)C)s[n-]1 ZINC000336717663 366520800 /nfs/dbraw/zinc/52/08/00/366520800.db2.gz UREORSDWPJDYFL-SECBINFHSA-N -1 3 258.391 1.420 10 0 CDAEHM NC(=O)CC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000042439128 358945107 /nfs/dbraw/zinc/94/51/07/358945107.db2.gz IENQZXFZPVTVBX-UHFFFAOYSA-N -1 3 262.309 1.120 10 0 CDAEHM O=S(=O)([N-][C@H]1CCCOC1)c1cnc(Cl)c(F)c1 ZINC000286904430 359152555 /nfs/dbraw/zinc/15/25/55/359152555.db2.gz OGIJETWLGGTNFI-ZETCQYMHSA-N -1 3 294.735 1.331 10 0 CDAEHM CC(C)(CO)ONC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000297294287 200137869 /nfs/dbraw/zinc/13/78/69/200137869.db2.gz UKTWYCNDMKIUON-UHFFFAOYSA-N -1 3 279.336 1.703 10 0 CDAEHM CCc1ccc([O-])c(C(=O)NC[C@H]2CCN(C(C)=O)C2)c1 ZINC000560592574 359866169 /nfs/dbraw/zinc/86/61/69/359866169.db2.gz OUOUPAUSHQZOGJ-CYBMUJFWSA-N -1 3 290.363 1.553 10 0 CDAEHM Cc1cc(Cc2nnn[n-]2)ccc1Br ZINC000408493762 359858566 /nfs/dbraw/zinc/85/85/66/359858566.db2.gz BAAQJYBLNNLFLB-UHFFFAOYSA-N -1 3 253.103 1.861 10 0 CDAEHM Cc1cc(Cc2nn[n-]n2)ccc1Br ZINC000408493762 359858570 /nfs/dbraw/zinc/85/85/70/359858570.db2.gz BAAQJYBLNNLFLB-UHFFFAOYSA-N -1 3 253.103 1.861 10 0 CDAEHM CCN(CC)CC(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000424267494 359984879 /nfs/dbraw/zinc/98/48/79/359984879.db2.gz VEPGRWHEQVNAQH-CMPLNLGQSA-N -1 3 256.346 1.040 10 0 CDAEHM C[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000120468332 360047037 /nfs/dbraw/zinc/04/70/37/360047037.db2.gz INFIEZXAXISICE-NKWVEPMBSA-N -1 3 297.298 1.399 10 0 CDAEHM O=C(N[C@@H]1CCc2n[nH]cc2C1)c1cccc([O-])c1 ZINC000082282574 360075214 /nfs/dbraw/zinc/07/52/14/360075214.db2.gz QBEKFCNWNUBWKS-LLVKDONJSA-N -1 3 257.293 1.403 10 0 CDAEHM C[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1cscn1 ZINC000655653530 412698548 /nfs/dbraw/zinc/69/85/48/412698548.db2.gz PVLIOUKSDKBYLO-SECBINFHSA-N -1 3 283.378 1.448 10 0 CDAEHM CC(C)Cn1cc([N-]S(=O)(=O)N2CCC[C@H]2C)cn1 ZINC000408287468 360389014 /nfs/dbraw/zinc/38/90/14/360389014.db2.gz RXMKKXPDCCXWIF-LLVKDONJSA-N -1 3 286.401 1.680 10 0 CDAEHM C[C@@H]1CCC[C@@H](N(C)C(=O)C2CC3(C2)NC(=O)[N-]C3=O)C1 ZINC000155068730 360428003 /nfs/dbraw/zinc/42/80/03/360428003.db2.gz MYYYOHMUZAFXIN-GPZIFOQPSA-N -1 3 293.367 1.012 10 0 CDAEHM Cc1ccc(-c2nnc(NC(=O)c3cnnc(C)c3)[n-]2)o1 ZINC000348818082 360594246 /nfs/dbraw/zinc/59/42/46/360594246.db2.gz OCHGYDXWVPGOLJ-UHFFFAOYSA-N -1 3 284.279 1.724 10 0 CDAEHM Cc1ccc(-c2n[n-]c(NC(=O)c3cnnc(C)c3)n2)o1 ZINC000348818082 360594249 /nfs/dbraw/zinc/59/42/49/360594249.db2.gz OCHGYDXWVPGOLJ-UHFFFAOYSA-N -1 3 284.279 1.724 10 0 CDAEHM Cc1ccc(-c2nc(NC(=O)c3cnnc(C)c3)n[n-]2)o1 ZINC000348818082 360594254 /nfs/dbraw/zinc/59/42/54/360594254.db2.gz OCHGYDXWVPGOLJ-UHFFFAOYSA-N -1 3 284.279 1.724 10 0 CDAEHM Cc1ccc([O-])c(CN2CCOC[C@@H]2CC(F)F)n1 ZINC000348788107 360621414 /nfs/dbraw/zinc/62/14/14/360621414.db2.gz YVTBLOXXZXFSLS-JTQLQIEISA-N -1 3 272.295 1.952 10 0 CDAEHM Cc1nc(C)c(CCN=c2[n-]c(C(N)=O)cs2)s1 ZINC000432338019 361149235 /nfs/dbraw/zinc/14/92/35/361149235.db2.gz VQKQEJIIBUMLPZ-UHFFFAOYSA-N -1 3 282.394 1.392 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-]Cc2cscn2)s1 ZINC000339045688 361243581 /nfs/dbraw/zinc/24/35/81/361243581.db2.gz YJCYSQFRSCHYPG-UHFFFAOYSA-N -1 3 275.380 1.387 10 0 CDAEHM O=C1[C@H]([N-]S(=O)(=O)CC2CC2)CCN1c1ccccc1 ZINC000267169458 363752754 /nfs/dbraw/zinc/75/27/54/363752754.db2.gz IEZOVGLLIGQCBV-CYBMUJFWSA-N -1 3 294.376 1.121 10 0 CDAEHM CO[C@@H](C)CN(C(=O)c1ccc(O)cc1[O-])C(C)C ZINC000436615658 361542836 /nfs/dbraw/zinc/54/28/36/361542836.db2.gz BGHGZOYKCVRFOE-JTQLQIEISA-N -1 3 267.325 1.983 10 0 CDAEHM Cc1cc(CCNC(=O)c2ccc(C)cc2[O-])on1 ZINC000436673317 361555695 /nfs/dbraw/zinc/55/56/95/361555695.db2.gz FBEODFNPQZZBQB-UHFFFAOYSA-N -1 3 260.293 1.970 10 0 CDAEHM O=C(NCCCC1CCOCC1)c1cccc2nn[n-]c21 ZINC000562557741 361605730 /nfs/dbraw/zinc/60/57/30/361605730.db2.gz XIQUBKNWYDFCND-UHFFFAOYSA-N -1 3 288.351 1.895 10 0 CDAEHM O=C(NCCCC1CCOCC1)c1cccc2[n-]nnc21 ZINC000562557741 361605736 /nfs/dbraw/zinc/60/57/36/361605736.db2.gz XIQUBKNWYDFCND-UHFFFAOYSA-N -1 3 288.351 1.895 10 0 CDAEHM O=C(NCCCC1CCOCC1)c1cccc2n[n-]nc21 ZINC000562557741 361605740 /nfs/dbraw/zinc/60/57/40/361605740.db2.gz XIQUBKNWYDFCND-UHFFFAOYSA-N -1 3 288.351 1.895 10 0 CDAEHM O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000629124391 361579684 /nfs/dbraw/zinc/57/96/84/361579684.db2.gz NAUIJVMNOFNYBV-JQWIXIFHSA-N -1 3 289.335 1.357 10 0 CDAEHM Cc1cnc(C(=O)NCCN2CCCC2(C)C)c([O-])c1 ZINC000457057954 363887638 /nfs/dbraw/zinc/88/76/38/363887638.db2.gz PHLKXXLHPDSRSX-UHFFFAOYSA-N -1 3 277.368 1.700 10 0 CDAEHM [O-]c1ccc(F)c(CN2C[C@@H](O)C3(CC3)C2)c1F ZINC000336633461 363903413 /nfs/dbraw/zinc/90/34/13/363903413.db2.gz AMGXEESJBSVHMD-LLVKDONJSA-N -1 3 255.264 1.627 10 0 CDAEHM CCc1cc(C(=O)N2CCN(CCO)C[C@H]2C)ccc1[O-] ZINC000457094018 363905787 /nfs/dbraw/zinc/90/57/87/363905787.db2.gz HDHIGPGMPNYPJL-GFCCVEGCSA-N -1 3 292.379 1.093 10 0 CDAEHM Cc1cccc(C(=O)N[C@H]2CCC(=O)N[C@@H]2C)c1[O-] ZINC000282240746 364002102 /nfs/dbraw/zinc/00/21/02/364002102.db2.gz VPEYMDMBBJCKMC-KOLCDFICSA-N -1 3 262.309 1.098 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N[C@H]2CCC(=O)N[C@H]2C)c1 ZINC000282100198 363956526 /nfs/dbraw/zinc/95/65/26/363956526.db2.gz MNUOAVTVZLTMQF-ONGXEEELSA-N -1 3 262.309 1.098 10 0 CDAEHM COC(=O)Cc1ncc([O-])cc1OC(F)(F)F ZINC000575374878 364098014 /nfs/dbraw/zinc/09/80/14/364098014.db2.gz CIEYXNHFOYINJI-UHFFFAOYSA-N -1 3 251.160 1.401 10 0 CDAEHM CCCCCCC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000168060469 364364658 /nfs/dbraw/zinc/36/46/58/364364658.db2.gz OFSFXOCXLKYNNN-CQSZACIVSA-N -1 3 281.356 1.157 10 0 CDAEHM CC(C)Cn1ccnc1CNc1nc2nncc-2c(O)[n-]1 ZINC000302332823 364490558 /nfs/dbraw/zinc/49/05/58/364490558.db2.gz USOHYOGIRHPJNM-UHFFFAOYSA-N -1 3 287.327 1.523 10 0 CDAEHM Cc1cc(OC[C@H](O)COC(C)C)cc2occ([O-])c21 ZINC000634560976 364657791 /nfs/dbraw/zinc/65/77/91/364657791.db2.gz GKDNRMWEGQDLNP-LLVKDONJSA-N -1 3 280.320 1.735 10 0 CDAEHM O=C(CCc1ccncn1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352980815 364692920 /nfs/dbraw/zinc/69/29/20/364692920.db2.gz AGWXMEHIWZBOKN-LBPRGKRZSA-N -1 3 287.323 1.044 10 0 CDAEHM COC(C)(C)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352988875 364697314 /nfs/dbraw/zinc/69/73/14/364697314.db2.gz QMZIFCPUYKKISJ-VIFPVBQESA-N -1 3 253.302 1.047 10 0 CDAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)C(=O)c1ccccc1 ZINC000352994221 364700473 /nfs/dbraw/zinc/70/04/73/364700473.db2.gz SQXCNDKUBBCLKX-GFCCVEGCSA-N -1 3 285.303 1.505 10 0 CDAEHM C[C@@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)C[C@@H](C)O1 ZINC000163763160 364763400 /nfs/dbraw/zinc/76/34/00/364763400.db2.gz NEYBFLCWISAUTJ-NXEZZACHSA-N -1 3 282.315 1.850 10 0 CDAEHM CC(=O)c1ccc(C(=O)NC[C@@H](CO)C2CC2)cc1[O-] ZINC000412355201 240166814 /nfs/dbraw/zinc/16/68/14/240166814.db2.gz AXDXUCPWGRUSMD-LBPRGKRZSA-N -1 3 277.320 1.343 10 0 CDAEHM O=C(NCCCc1ccccn1)c1cccc2nn[n-]c21 ZINC000188579367 365289184 /nfs/dbraw/zinc/28/91/84/365289184.db2.gz SBBJPZUMEDJZBY-UHFFFAOYSA-N -1 3 281.319 1.716 10 0 CDAEHM O=C(NCCCc1ccccn1)c1cccc2[n-]nnc21 ZINC000188579367 365289188 /nfs/dbraw/zinc/28/91/88/365289188.db2.gz SBBJPZUMEDJZBY-UHFFFAOYSA-N -1 3 281.319 1.716 10 0 CDAEHM O=C(NCCCc1ccccn1)c1cccc2n[n-]nc21 ZINC000188579367 365289193 /nfs/dbraw/zinc/28/91/93/365289193.db2.gz SBBJPZUMEDJZBY-UHFFFAOYSA-N -1 3 281.319 1.716 10 0 CDAEHM O=C(N[C@@H]1CCCc2c[nH]nc21)c1cccc([O-])c1 ZINC000272553688 365289821 /nfs/dbraw/zinc/28/98/21/365289821.db2.gz BGAKRUBWDZAWLS-GFCCVEGCSA-N -1 3 257.293 1.923 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(OC)c(C3CC3)c2)[n-]1 ZINC000278447443 366867645 /nfs/dbraw/zinc/86/76/45/366867645.db2.gz QKAZZZCGXOUXBG-UHFFFAOYSA-N -1 3 288.307 1.952 10 0 CDAEHM COc1nc(NC(=O)c2ccc(OC)c(C3CC3)c2)n[n-]1 ZINC000278447443 366867648 /nfs/dbraw/zinc/86/76/48/366867648.db2.gz QKAZZZCGXOUXBG-UHFFFAOYSA-N -1 3 288.307 1.952 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(OC)c(C3CC3)c2)n1 ZINC000278447443 366867653 /nfs/dbraw/zinc/86/76/53/366867653.db2.gz QKAZZZCGXOUXBG-UHFFFAOYSA-N -1 3 288.307 1.952 10 0 CDAEHM C[C@@H]1C[C@@H]1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000643042159 365467720 /nfs/dbraw/zinc/46/77/20/365467720.db2.gz ZWCRQNRPJFWUJU-SFYZADRCSA-N -1 3 275.308 1.177 10 0 CDAEHM Cc1ccc([O-])c(CN2CCN(CC(C)(C)O)[C@H](C)C2)n1 ZINC000275857616 193148066 /nfs/dbraw/zinc/14/80/66/193148066.db2.gz ISFUPVOYAKIPTP-CYBMUJFWSA-N -1 3 293.411 1.373 10 0 CDAEHM Cn1c2ccc(NC(=O)c3cccc([O-])c3)cc2n(C)c1=O ZINC000357331368 366921344 /nfs/dbraw/zinc/92/13/44/366921344.db2.gz CZHZDSXOGFLVEI-UHFFFAOYSA-N -1 3 297.314 1.835 10 0 CDAEHM Cc1cc([N-]C(=O)[C@H](C)N(C)Cc2cc[nH]n2)on1 ZINC000357884577 367278334 /nfs/dbraw/zinc/27/83/34/367278334.db2.gz VTKAZMOIFBRKOI-VIFPVBQESA-N -1 3 263.301 1.165 10 0 CDAEHM CCc1cc(=O)[n-]c(CNC2(CC(=O)OC)CCCC2)n1 ZINC000280294236 367341557 /nfs/dbraw/zinc/34/15/57/367341557.db2.gz FJYBFSVUDIMODJ-UHFFFAOYSA-N -1 3 293.367 1.710 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC(=O)Nc2ccccc2)o1 ZINC000358420740 367672406 /nfs/dbraw/zinc/67/24/06/367672406.db2.gz CONAXWYIQXTQJA-UHFFFAOYSA-N -1 3 294.332 1.505 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCCc2cnn(C)c2)o1 ZINC000358427641 367676122 /nfs/dbraw/zinc/67/61/22/367676122.db2.gz NIEWDWWFNOBZPV-UHFFFAOYSA-N -1 3 283.353 1.233 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCOCC(F)(F)F)o1 ZINC000358432810 367678973 /nfs/dbraw/zinc/67/89/73/367678973.db2.gz ZAVUAYCTOBWCEU-UHFFFAOYSA-N -1 3 287.259 1.445 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@](C)(O)C2CC2)o1 ZINC000358431301 367679163 /nfs/dbraw/zinc/67/91/63/367679163.db2.gz ULVKUJJMCZZYHC-LLVKDONJSA-N -1 3 259.327 1.027 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H](CCO)CC(C)C)o1 ZINC000358590868 367798781 /nfs/dbraw/zinc/79/87/81/367798781.db2.gz MFRVMNUBOVYBPI-GFCCVEGCSA-N -1 3 289.397 1.911 10 0 CDAEHM CC[C@H]1C(=O)NCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000264417790 370873766 /nfs/dbraw/zinc/87/37/66/370873766.db2.gz JKXDOWABDKKGDW-ZDUSSCGKSA-N -1 3 299.330 1.291 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)CC(C)(C)C)o1 ZINC000358597298 367804055 /nfs/dbraw/zinc/80/40/55/367804055.db2.gz GXBHLNKCANQEFD-JTQLQIEISA-N -1 3 275.370 1.663 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000528452768 367847005 /nfs/dbraw/zinc/84/70/05/367847005.db2.gz QDRGFNVFGWBAID-UTUOFQBUSA-N -1 3 283.397 1.618 10 0 CDAEHM Cc1ncc(CNC(=O)c2c([O-])cccc2O)s1 ZINC000125715879 368238604 /nfs/dbraw/zinc/23/86/04/368238604.db2.gz IJSJWZKARQWDQZ-UHFFFAOYSA-N -1 3 264.306 1.793 10 0 CDAEHM Cc1ccc([O-])c(CN[C@H](CO)C[C@@H](O)C(C)(C)C)n1 ZINC000284141389 368491540 /nfs/dbraw/zinc/49/15/40/368491540.db2.gz VBLDNSGWHZBBJD-SMDDNHRTSA-N -1 3 282.384 1.343 10 0 CDAEHM Cn1nc2c(c1CN[C@@]1(C(=O)[O-])CCSC1)CCCC2 ZINC000630455132 368990627 /nfs/dbraw/zinc/99/06/27/368990627.db2.gz BCTMDDNFWBGDTH-AWEZNQCLSA-N -1 3 295.408 1.349 10 0 CDAEHM COc1c(C)cc(Cl)cc1[N-]S(=O)(=O)N(C)C ZINC000074984061 369342493 /nfs/dbraw/zinc/34/24/93/369342493.db2.gz ZJEJLZNFEYUUSF-UHFFFAOYSA-N -1 3 278.761 1.875 10 0 CDAEHM COc1cc(=NC(=O)[C@@H]2COc3ccccc3C2)[n-]n1C ZINC000547492431 369566976 /nfs/dbraw/zinc/56/69/76/369566976.db2.gz DQNCUAGZXUCKPH-NSHDSACASA-N -1 3 287.319 1.040 10 0 CDAEHM CCOc1c(F)cccc1C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000547493851 369568167 /nfs/dbraw/zinc/56/81/67/369568167.db2.gz XAALDXNABHEBCT-UHFFFAOYSA-N -1 3 293.298 1.641 10 0 CDAEHM COc1cc(=NC(=O)[C@@H](C(C)C)N2CCCCC2)[n-]n1C ZINC000547817537 369655785 /nfs/dbraw/zinc/65/57/85/369655785.db2.gz JDFDFEFFZJQTIE-CQSZACIVSA-N -1 3 294.399 1.300 10 0 CDAEHM COc1cc(=NC(=O)N2CCC[C@@H]2CSC)[n-]n1C ZINC000547844654 369666006 /nfs/dbraw/zinc/66/60/06/369666006.db2.gz QREHCEKHBSNONK-SECBINFHSA-N -1 3 284.385 1.210 10 0 CDAEHM COc1cc(=NC(=O)Cc2cccc(F)c2F)[n-]n1C ZINC000548144463 369768486 /nfs/dbraw/zinc/76/84/86/369768486.db2.gz RAYNWDBALSUHOR-UHFFFAOYSA-N -1 3 281.262 1.310 10 0 CDAEHM COc1cc(=NC(=O)NC[C@@H](C)C(C)C)[n-]n1C ZINC000548167525 369777385 /nfs/dbraw/zinc/77/73/85/369777385.db2.gz SAMXSTYVNLTUCI-SECBINFHSA-N -1 3 254.334 1.264 10 0 CDAEHM Cc1cc(NC(=O)NCc2ncccc2[O-])c(C)cn1 ZINC000548418840 369848342 /nfs/dbraw/zinc/84/83/42/369848342.db2.gz OVUPYZDXLAQFOL-UHFFFAOYSA-N -1 3 272.308 1.543 10 0 CDAEHM COc1cc(=NC(=O)CCc2nc3ccccc3[nH]2)[n-]n1C ZINC000548470882 369868825 /nfs/dbraw/zinc/86/88/25/369868825.db2.gz USHQOZLXXCOOMH-UHFFFAOYSA-N -1 3 299.334 1.298 10 0 CDAEHM COC(=O)Cc1ccc(NC([O-])=NOC(C)C)cc1 ZINC000296437292 371759988 /nfs/dbraw/zinc/75/99/88/371759988.db2.gz KXLDWAJBDHBPJU-UHFFFAOYSA-N -1 3 266.297 1.864 10 0 CDAEHM COC(=O)Cc1ccc(NC(=O)[N-]OC(C)C)cc1 ZINC000296437292 371759994 /nfs/dbraw/zinc/75/99/94/371759994.db2.gz KXLDWAJBDHBPJU-UHFFFAOYSA-N -1 3 266.297 1.864 10 0 CDAEHM CC(C)(C)N1CC[C@@](F)(C(=O)[N-]OC[C@@H]2CCOC2)C1 ZINC000377989721 371782744 /nfs/dbraw/zinc/78/27/44/371782744.db2.gz RXOGXAFGLAFTIF-RISCZKNCSA-N -1 3 288.363 1.283 10 0 CDAEHM CCc1ccc([O-])c(C(=O)NCc2noc(C)n2)c1 ZINC000173624631 372510660 /nfs/dbraw/zinc/51/06/60/372510660.db2.gz HFKFMJJHRLDSJB-UHFFFAOYSA-N -1 3 261.281 1.576 10 0 CDAEHM C[C@@H](NC(=O)c1c[n-]nn1)c1cccc(-n2ccnc2)c1 ZINC000173913291 372522648 /nfs/dbraw/zinc/52/26/48/372522648.db2.gz RXWBSQFMIPGLQX-SNVBAGLBSA-N -1 3 282.307 1.481 10 0 CDAEHM C[C@@H](NC(=O)c1cnn[n-]1)c1cccc(-n2ccnc2)c1 ZINC000173913291 372522653 /nfs/dbraw/zinc/52/26/53/372522653.db2.gz RXWBSQFMIPGLQX-SNVBAGLBSA-N -1 3 282.307 1.481 10 0 CDAEHM C[C@@H](NC(=O)c1cn[n-]n1)c1cccc(-n2ccnc2)c1 ZINC000173913291 372522656 /nfs/dbraw/zinc/52/26/56/372522656.db2.gz RXWBSQFMIPGLQX-SNVBAGLBSA-N -1 3 282.307 1.481 10 0 CDAEHM CO[C@H](CS(=O)(=O)[N-]Cc1ccco1)C1CC1 ZINC000581069135 372814188 /nfs/dbraw/zinc/81/41/88/372814188.db2.gz MEAQMHPDCWKYBP-LLVKDONJSA-N -1 3 259.327 1.124 10 0 CDAEHM COc1cc(CN(C)CCOCC(=O)[O-])ccc1SC ZINC000581315342 372939955 /nfs/dbraw/zinc/93/99/55/372939955.db2.gz AXNDQKVILBZKER-UHFFFAOYSA-N -1 3 299.392 1.950 10 0 CDAEHM CN(CCN1CCC(O)(C(=O)[O-])CC1)c1ccccc1 ZINC000581315899 372941400 /nfs/dbraw/zinc/94/14/00/372941400.db2.gz YBDFPCMHZRCVPQ-UHFFFAOYSA-N -1 3 278.352 1.034 10 0 CDAEHM CO[C@@H]1CN[C@@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)C1 ZINC000189290431 373273477 /nfs/dbraw/zinc/27/34/77/373273477.db2.gz VDVITJCQWPBZEI-WCBMZHEXSA-N -1 3 293.348 1.432 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCN(C)CC(F)F)o1 ZINC000625674760 541890592 /nfs/dbraw/zinc/89/05/92/541890592.db2.gz DJGNISXSMNPDRL-UHFFFAOYSA-N -1 3 282.312 1.063 10 0 CDAEHM CN(CCCO)C(=O)c1cc([O-])c2ccccc2c1 ZINC000281698858 541893763 /nfs/dbraw/zinc/89/37/63/541893763.db2.gz FCPXTVHNTDWMJL-UHFFFAOYSA-N -1 3 259.305 2.000 10 0 CDAEHM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000120542889 374611918 /nfs/dbraw/zinc/61/19/18/374611918.db2.gz JQQFAYDNCOWPFD-ZDUSSCGKSA-N -1 3 290.363 1.865 10 0 CDAEHM CC(C)(C)[C@H]1OCC[C@@H]1CN=c1ncnc2[nH][n-]cc1-2 ZINC000328612747 374717882 /nfs/dbraw/zinc/71/78/82/374717882.db2.gz PRJKFMGAJXXYFC-KOLCDFICSA-N -1 3 275.356 1.590 10 0 CDAEHM CCC(C)(C)NC(=O)[C@@H](C)N(C)CCCC(=O)[O-] ZINC000042717616 374861071 /nfs/dbraw/zinc/86/10/71/374861071.db2.gz NBGQWINPGRJQPI-SNVBAGLBSA-N -1 3 258.362 1.476 10 0 CDAEHM CN[C@@H](C(=O)[O-])c1sccc1Br ZINC000228007791 375665259 /nfs/dbraw/zinc/66/52/59/375665259.db2.gz OULAEJYSLRWABJ-RXMQYKEDSA-N -1 3 250.117 1.856 10 0 CDAEHM CS[C@H](C)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135562614 375715176 /nfs/dbraw/zinc/71/51/76/375715176.db2.gz PYEWXFHLVQLACO-MRVPVSSYSA-N -1 3 277.353 1.481 10 0 CDAEHM CS[C@H](C)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135562614 375715180 /nfs/dbraw/zinc/71/51/80/375715180.db2.gz PYEWXFHLVQLACO-MRVPVSSYSA-N -1 3 277.353 1.481 10 0 CDAEHM C[C@H](CNC(=O)c1cccc([O-])c1)N1CCCCC1=O ZINC000194250398 375919308 /nfs/dbraw/zinc/91/93/08/375919308.db2.gz HZXHSDMOARAGMN-LLVKDONJSA-N -1 3 276.336 1.523 10 0 CDAEHM O[C@H]1C[C@H](N=c2cc(-c3ccccc3)n3[n-]cnc3n2)C1 ZINC000631375541 376169383 /nfs/dbraw/zinc/16/93/83/376169383.db2.gz LTMKJWGVSQFJPF-HAQNSBGRSA-N -1 3 281.319 1.148 10 0 CDAEHM CC[C@H](C[C@H](C)CO)N=c1[n-]c(C(=O)OC)c(C)s1 ZINC000433750992 248049708 /nfs/dbraw/zinc/04/97/08/248049708.db2.gz XMMKXMICYQBCMZ-WCBMZHEXSA-N -1 3 286.397 1.869 10 0 CDAEHM C/C=C/C[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)OCC ZINC000433883002 248063321 /nfs/dbraw/zinc/06/33/21/248063321.db2.gz CKFRWRWCDBIMHX-GFAPAMAISA-N -1 3 287.337 1.456 10 0 CDAEHM CC(C)(C)CCC[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632017004 376913845 /nfs/dbraw/zinc/91/38/45/376913845.db2.gz JYXSGSGTCJLAKM-UHFFFAOYSA-N -1 3 278.399 1.953 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000272775951 296253134 /nfs/dbraw/zinc/25/31/34/296253134.db2.gz UAHDZTSDJGVIIR-MNOVXSKESA-N -1 3 289.253 1.920 10 0 CDAEHM CN(C[C@@H]1CC=CCC1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000334679546 377167723 /nfs/dbraw/zinc/16/77/23/377167723.db2.gz YCDAFBCDGAEHDV-LLVKDONJSA-N -1 3 298.342 1.999 10 0 CDAEHM CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cccc([O-])c3)[C@H]2C1 ZINC000248414150 377261933 /nfs/dbraw/zinc/26/19/33/377261933.db2.gz MKDDTLAIYBXRSY-ILXRZTDVSA-N -1 3 291.347 1.801 10 0 CDAEHM O=c1[nH]cc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)s1 ZINC000632338288 377310029 /nfs/dbraw/zinc/31/00/29/377310029.db2.gz CBEXDJWCDLWSCH-YFKPBYRVSA-N -1 3 284.309 1.315 10 0 CDAEHM CC(F)(F)CC[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632378182 377364055 /nfs/dbraw/zinc/36/40/55/377364055.db2.gz WAGSERYIJDRMMB-UHFFFAOYSA-N -1 3 272.298 1.172 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCS2)o1 ZINC000334736536 377389697 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CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(CCF)C2)o1 ZINC000867711331 749649796 /nfs/dbraw/zinc/64/97/96/749649796.db2.gz PLLFUPVSSUOSGM-LLVKDONJSA-N -1 3 290.360 1.300 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1CCc2c(=O)[nH]n(C)c2C1 ZINC000913038126 749851743 /nfs/dbraw/zinc/85/17/43/749851743.db2.gz KVVKNCXGFUDRSM-UHFFFAOYSA-N -1 3 287.319 1.338 10 0 CDAEHM CC(C)CCc1ccc(NC([O-])=NOCC(N)=O)nc1 ZINC000836763914 749864854 /nfs/dbraw/zinc/86/48/54/749864854.db2.gz CUBSROXVDMQPRY-UHFFFAOYSA-N -1 3 280.328 1.209 10 0 CDAEHM CC(C)CCc1ccc(NC(=O)[N-]OCC(N)=O)nc1 ZINC000836763914 749864855 /nfs/dbraw/zinc/86/48/55/749864855.db2.gz CUBSROXVDMQPRY-UHFFFAOYSA-N -1 3 280.328 1.209 10 0 CDAEHM COC(=O)c1cc(C(=O)OC[C@@H]2CC(C)(C)CO2)c[n-]1 ZINC000869525348 749883830 /nfs/dbraw/zinc/88/38/30/749883830.db2.gz LMLGRPLZPVLKLP-JTQLQIEISA-N -1 3 281.308 1.773 10 0 CDAEHM COC/C=C/C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000786603120 749896833 /nfs/dbraw/zinc/89/68/33/749896833.db2.gz ZXTNETZIFJESNB-QPJJXVBHSA-N -1 3 290.275 1.688 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C2(C3CCC3)CC2)nn1 ZINC000867464163 749983674 /nfs/dbraw/zinc/98/36/74/749983674.db2.gz ZNISCYUBWFDVPN-UHFFFAOYSA-N -1 3 267.354 1.396 10 0 CDAEHM C[C@H]1C[C@H]1COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000859546955 750425179 /nfs/dbraw/zinc/42/51/79/750425179.db2.gz UUSPCYFNXBJLGG-CBAPKCEASA-N -1 3 259.261 1.383 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]CC1CC(C)(C)C1 ZINC000867154828 750445192 /nfs/dbraw/zinc/44/51/92/750445192.db2.gz PNKVXVYAMKKYLP-INIZCTEOSA-N -1 3 282.431 1.375 10 0 CDAEHM CCO[C@H]1COCC[C@H]1CC(=O)[N-]OC1CCOCC1 ZINC000867493305 752911633 /nfs/dbraw/zinc/91/16/33/752911633.db2.gz SKAIDPFNLWZEBQ-AAEUAGOBSA-N -1 3 287.356 1.045 10 0 CDAEHM O=C(c1cc(F)ccc1[O-])N1CC[C@H](N2CCC2)C1 ZINC000702303673 750747959 /nfs/dbraw/zinc/74/79/59/750747959.db2.gz YTRLAXNLQNJQTC-NSHDSACASA-N -1 3 264.300 1.452 10 0 CDAEHM CO[C@H]1CC[C@H](C)N(C(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC000870710854 750845485 /nfs/dbraw/zinc/84/54/85/750845485.db2.gz KMEJASJWNFAACB-CABZTGNLSA-N -1 3 293.367 1.367 10 0 CDAEHM CC(=O)[N-]O[C@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000781618475 750855538 /nfs/dbraw/zinc/85/55/38/750855538.db2.gz XMZYWIFXXDTPHS-ZDUSSCGKSA-N -1 3 280.299 1.697 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)nn1)[C@@H]1CC1(C)C ZINC000867416602 750879482 /nfs/dbraw/zinc/87/94/82/750879482.db2.gz ZJCGOVUDBYKSNX-WDEREUQCSA-N -1 3 283.397 1.888 10 0 CDAEHM CCCCC[C@@H](O)C(=O)NCc1ncccc1[O-] ZINC000831509752 751033629 /nfs/dbraw/zinc/03/36/29/751033629.db2.gz GBUOOWSDFRPCCD-GFCCVEGCSA-N -1 3 252.314 1.345 10 0 CDAEHM O=C(NCC[C@@H]1CCOC1)c1cc2c(cc1[O-])OCO2 ZINC000436840376 751046641 /nfs/dbraw/zinc/04/66/41/751046641.db2.gz SIQPWNGUVIDUKK-SECBINFHSA-N -1 3 279.292 1.277 10 0 CDAEHM O=C([N-]O[C@H]1CCCCO1)C1CC2(CC2(F)F)C1 ZINC000825026823 751072590 /nfs/dbraw/zinc/07/25/90/751072590.db2.gz NQIRAECQCQAWPR-YUCVTWSNSA-N -1 3 261.268 1.996 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]CC1CCC(C)CC1 ZINC000866588392 751215170 /nfs/dbraw/zinc/21/51/70/751215170.db2.gz WYGBOHGVJJAWKF-IGCAFJPESA-N -1 3 296.458 1.765 10 0 CDAEHM Cn1cnc(S(=O)(=O)[N-]C(C)(C)/C=C/Cl)c1 ZINC000921506573 751325351 /nfs/dbraw/zinc/32/53/51/751325351.db2.gz WMPWURKYGHCDMF-SNAWJCMRSA-N -1 3 263.750 1.230 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCCC[C@H]1C ZINC000866387177 751289871 /nfs/dbraw/zinc/28/98/71/751289871.db2.gz PKUFGHAPORBHLN-LSYCYVAJSA-N -1 3 282.431 1.517 10 0 CDAEHM C[C@@H](CO[N-]C(=O)CCCF)NC(=O)OC(C)(C)C ZINC000857167605 752393127 /nfs/dbraw/zinc/39/31/27/752393127.db2.gz NFNCRTGXUDBDHJ-VIFPVBQESA-N -1 3 278.324 1.697 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCc3nc(C(C)C)ncc3C2)n1 ZINC000857880349 752515881 /nfs/dbraw/zinc/51/58/81/752515881.db2.gz DWRXTUPDCSXBSG-UHFFFAOYSA-N -1 3 299.378 1.962 10 0 CDAEHM Cc1ccc(CCC(=O)[N-]OC[C@H]2CCOC2)o1 ZINC000788121019 752756862 /nfs/dbraw/zinc/75/68/62/752756862.db2.gz XQIZOAVEPDVZBH-NSHDSACASA-N -1 3 253.298 1.605 10 0 CDAEHM O=C(NCc1ncccc1[O-])NOC/C=C/Cl ZINC000811981161 752799873 /nfs/dbraw/zinc/79/98/73/752799873.db2.gz XQIPXUBJNQETCY-DUXPYHPUSA-N -1 3 257.677 1.271 10 0 CDAEHM COc1cc(S(=O)(=O)[N-]CC(C)(C)F)cnc1Cl ZINC000867575766 752814177 /nfs/dbraw/zinc/81/41/77/752814177.db2.gz CCDAWPLDXGHZDP-UHFFFAOYSA-N -1 3 296.751 1.770 10 0 CDAEHM Cc1cnc(C[N-]C(=O)C(F)(F)C2CCOCC2)o1 ZINC000790698272 752856165 /nfs/dbraw/zinc/85/61/65/752856165.db2.gz VNYWOXUHNFQHQA-UHFFFAOYSA-N -1 3 274.267 1.661 10 0 CDAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C1(C)CCC(C)CC1 ZINC000866685203 752948313 /nfs/dbraw/zinc/94/83/13/752948313.db2.gz DZBNNQISMCXCKL-NQMJSUOBSA-N -1 3 296.458 1.907 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@]23C[C@H]2COC32CCC2)o1 ZINC000922104871 753005588 /nfs/dbraw/zinc/00/55/88/753005588.db2.gz ZWMHSIXDOMDISA-GXFFZTMASA-N -1 3 283.349 1.578 10 0 CDAEHM Cc1ccc(C(=O)N2CCC[C@@H]3CCNC(=O)[C@@H]32)c([O-])c1 ZINC000922449933 753013399 /nfs/dbraw/zinc/01/33/99/753013399.db2.gz YORWJBJBCLHUHP-BXUZGUMPSA-N -1 3 288.347 1.441 10 0 CDAEHM CC(=O)C(C)(C)CCC(=O)[N-]OC[C@@H]1CCOC1 ZINC000788576286 753029012 /nfs/dbraw/zinc/02/90/12/753029012.db2.gz UMMDOOSUYVMRLP-LLVKDONJSA-N -1 3 257.330 1.466 10 0 CDAEHM Cn1ncc(CNCc2c(F)ccc([O-])c2F)n1 ZINC000816609784 753089895 /nfs/dbraw/zinc/08/98/95/753089895.db2.gz MBEGWMFLZPDAFG-UHFFFAOYSA-N -1 3 254.240 1.089 10 0 CDAEHM CC(F)(F)C(=O)[N-]C[C@@H]1CC(C(F)(F)F)=NO1 ZINC000866059726 753130900 /nfs/dbraw/zinc/13/09/00/753130900.db2.gz SXXUJJNECPRRHR-BYPYZUCNSA-N -1 3 260.162 1.465 10 0 CDAEHM O=c1[n-]c(CNc2nc3ccccc3[nH]2)nc2c1COCC2 ZINC000866290224 753176759 /nfs/dbraw/zinc/17/67/59/753176759.db2.gz UNEQBWZENHOAGW-UHFFFAOYSA-N -1 3 297.318 1.743 10 0 CDAEHM CCC[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000866387236 753243432 /nfs/dbraw/zinc/24/34/32/753243432.db2.gz ODJYNRQMRNHELM-MRXNPFEDSA-N -1 3 276.383 1.388 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3occc32)nn1 ZINC000866464153 753270226 /nfs/dbraw/zinc/27/02/26/753270226.db2.gz GUARVTSYUZVAGS-LLVKDONJSA-N -1 3 293.348 1.734 10 0 CDAEHM O=C(NCC[S@@](=O)CC(F)(F)F)c1ccccc1[O-] ZINC000855280024 753305052 /nfs/dbraw/zinc/30/50/52/753305052.db2.gz PHRVAOBXWXPUMM-LJQANCHMSA-N -1 3 295.282 1.433 10 0 CDAEHM Cc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1cscn1 ZINC000827202200 753348799 /nfs/dbraw/zinc/34/87/99/753348799.db2.gz YNGOVWGCAWEBQZ-LLVKDONJSA-N -1 3 298.389 1.463 10 0 CDAEHM Cc1cc(CN2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])sn1 ZINC000721194803 753353923 /nfs/dbraw/zinc/35/39/23/753353923.db2.gz RCBLVFNOKAZNJQ-AXFHLTTASA-N -1 3 252.339 1.604 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCS2)nn1 ZINC000867089811 753600879 /nfs/dbraw/zinc/60/08/79/753600879.db2.gz LYRRORDSKJCQCY-JTQLQIEISA-N -1 3 287.410 1.349 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCS[C@@H](C(F)(F)F)C2)n1 ZINC000932081160 753624810 /nfs/dbraw/zinc/62/48/10/753624810.db2.gz QQSYLLYGGDCNRP-MRVPVSSYSA-N -1 3 293.314 1.970 10 0 CDAEHM O=c1[n-]c(CSCC2CC2)nc2c1COCC2 ZINC000865367796 753715886 /nfs/dbraw/zinc/71/58/86/753715886.db2.gz GFROZEJRHVHZPY-UHFFFAOYSA-N -1 3 252.339 1.898 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCC(C)C)nn1 ZINC000866385186 753775046 /nfs/dbraw/zinc/77/50/46/753775046.db2.gz SVNYRADUJQVTJP-NSHDSACASA-N -1 3 271.386 1.888 10 0 CDAEHM CCc1[n-]nc(Cl)c1C(=O)NOC[C@H]1CCOC1 ZINC000861247867 753776885 /nfs/dbraw/zinc/77/68/85/753776885.db2.gz LJIRUQFGFIUWRL-ZETCQYMHSA-N -1 3 273.720 1.323 10 0 CDAEHM CCc1n[n-]c(Cl)c1C(=O)NOC[C@H]1CCOC1 ZINC000861247867 753776889 /nfs/dbraw/zinc/77/68/89/753776889.db2.gz LJIRUQFGFIUWRL-ZETCQYMHSA-N -1 3 273.720 1.323 10 0 CDAEHM CC[C@@H](OC)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783264644 753788305 /nfs/dbraw/zinc/78/83/05/753788305.db2.gz KYHATMODIIFXLT-LLVKDONJSA-N -1 3 292.291 1.910 10 0 CDAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H](C)CCSC ZINC000866814808 753816100 /nfs/dbraw/zinc/81/61/00/753816100.db2.gz HNUPAEQWOSWHPY-VXJOIVPMSA-N -1 3 288.460 1.080 10 0 CDAEHM C[C@@H](C(=O)NCc1cc(=O)[n-]c(=S)[nH]1)c1ccccn1 ZINC001639649076 1166958279 /nfs/dbraw/zinc/95/82/79/1166958279.db2.gz HEGWKUWZKZKIMJ-MRVPVSSYSA-N -1 3 290.348 1.286 10 0 CDAEHM C[C@@H](CNCc1csc(-c2ccn(C)n2)n1)C(=O)[O-] ZINC001646232402 1167711983 /nfs/dbraw/zinc/71/19/83/1167711983.db2.gz BULYNFBLFBANLP-QMMMGPOBSA-N -1 3 280.353 1.354 10 0 CDAEHM C[C@@]1(C(=O)[O-])C[C@H](NCc2nc3c(s2)CCC3)CCO1 ZINC001647414030 1168665325 /nfs/dbraw/zinc/66/53/25/1168665325.db2.gz LIYZFHHFSUZVST-OTYXRUKQSA-N -1 3 296.392 1.744 10 0 CDAEHM CC(C)(/C=C\Cl)[N-]S(=O)(=O)c1cscn1 ZINC000921512808 918844434 /nfs/dbraw/zinc/84/44/34/918844434.db2.gz LPPJROYPYGSUAJ-ARJAWSKDSA-N -1 3 266.775 1.953 10 0 CDAEHM Cc1n[nH]cc1S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000398427730 936710997 /nfs/dbraw/zinc/71/09/97/936710997.db2.gz RLHQGZWDTZZBGT-QMMMGPOBSA-N -1 3 265.285 1.184 10 0 CDAEHM COCC1([N-]S(=O)(=O)c2cccnc2F)CCC1 ZINC000401780101 936909536 /nfs/dbraw/zinc/90/95/36/936909536.db2.gz GWFIWMANDJIJHO-UHFFFAOYSA-N -1 3 274.317 1.068 10 0 CDAEHM CCOc1nnc(NC(=O)[C@]23C[C@H]2CCCC3)[n-]1 ZINC000822064058 925605234 /nfs/dbraw/zinc/60/52/34/925605234.db2.gz AZBQPCUZYGBLCF-PRHODGIISA-N -1 3 250.302 1.722 10 0 CDAEHM CCOc1nc(NC(=O)[C@]23C[C@H]2CCCC3)n[n-]1 ZINC000822064058 925605236 /nfs/dbraw/zinc/60/52/36/925605236.db2.gz AZBQPCUZYGBLCF-PRHODGIISA-N -1 3 250.302 1.722 10 0 CDAEHM CCOc1n[n-]c(NC(=O)[C@]23C[C@H]2CCCC3)n1 ZINC000822064058 925605238 /nfs/dbraw/zinc/60/52/38/925605238.db2.gz AZBQPCUZYGBLCF-PRHODGIISA-N -1 3 250.302 1.722 10 0 CDAEHM COCCOc1cccc(NC(=O)c2cc(=O)[n-]cn2)c1 ZINC001136309386 930884290 /nfs/dbraw/zinc/88/42/90/930884290.db2.gz UPAUMLXRCAAHDP-UHFFFAOYSA-N -1 3 289.291 1.460 10 0 CDAEHM COCc1csc(C(=O)NCCc2c(C)[n-][nH]c2=O)c1 ZINC001411768525 932006554 /nfs/dbraw/zinc/00/65/54/932006554.db2.gz QNWMQYIPTPHLEZ-SNVBAGLBSA-N -1 3 295.364 1.136 10 0 CDAEHM CCn1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)c1C ZINC001411777672 932013051 /nfs/dbraw/zinc/01/30/51/932013051.db2.gz OREKZOBQCYTBJI-LLVKDONJSA-N -1 3 276.340 1.058 10 0 CDAEHM C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1C)NC(=O)c1ccccc1[O-] ZINC001412671261 932611939 /nfs/dbraw/zinc/61/19/39/932611939.db2.gz RWCVZYOQGSTOPX-LOWVWBTDSA-N -1 3 290.363 1.625 10 0 CDAEHM O=C(CC1(C(F)(F)F)CC1)NCCCc1cc(=O)[nH][n-]1 ZINC001118762089 937663950 /nfs/dbraw/zinc/66/39/50/937663950.db2.gz CSBKNKIEDVRLPC-UHFFFAOYSA-N -1 3 291.273 1.491 10 0 CDAEHM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1ccc2c(c1)OCCNC2 ZINC001118979127 937683764 /nfs/dbraw/zinc/68/37/64/937683764.db2.gz QHEIIFPLZIGUAW-PSLIRLAXSA-N -1 3 290.319 1.218 10 0 CDAEHM COC(=O)[C@@H](CC(C)C)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931313763 933535563 /nfs/dbraw/zinc/53/55/63/933535563.db2.gz OXVLTJNUTLVXFW-GFCCVEGCSA-N -1 3 279.340 1.394 10 0 CDAEHM CCn1ccnc1CN[C@@](C)(CC(=O)[O-])C1CC1 ZINC001119602648 937737418 /nfs/dbraw/zinc/73/74/18/937737418.db2.gz URORSYSEPJXIOP-ZDUSSCGKSA-N -1 3 251.330 1.636 10 0 CDAEHM COC(=O)C(=O)[C@H](C)OC(=O)c1cccc(Cl)c1[O-] ZINC000778329395 934068785 /nfs/dbraw/zinc/06/87/85/934068785.db2.gz HAKJYJNUFPENOF-LURJTMIESA-N -1 3 286.667 1.333 10 0 CDAEHM COc1cccc([O-])c1C(=O)N[C@@H]1COC2(CCC2)C1 ZINC000688342685 934589996 /nfs/dbraw/zinc/58/99/96/934589996.db2.gz QBSRHYZBHDIJFQ-JTQLQIEISA-N -1 3 277.320 1.842 10 0 CDAEHM CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccnc2F)C1 ZINC000401854069 940883221 /nfs/dbraw/zinc/88/32/21/940883221.db2.gz MKWMKXNZTVGEHC-DTWKUNHWSA-N -1 3 290.385 1.783 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1CCSC1)c1cccnc1F ZINC000401961060 940886549 /nfs/dbraw/zinc/88/65/49/940886549.db2.gz WJONHAUVBPVULJ-QMMMGPOBSA-N -1 3 276.358 1.252 10 0 CDAEHM COC(=O)[C@H]1CCN(C(=O)c2c([O-])cccc2OC)C1 ZINC000405425061 940987877 /nfs/dbraw/zinc/98/78/77/940987877.db2.gz ZBZOXHAYQDMVQI-VIFPVBQESA-N -1 3 279.292 1.036 10 0 CDAEHM CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1cnncc1[O-] ZINC001362099680 970885026 /nfs/dbraw/zinc/88/50/26/970885026.db2.gz OAPMDHHZCZCIJN-MFKMUULPSA-N -1 3 293.367 1.753 10 0 CDAEHM O=C(Nc1cccc([O-])c1F)c1cc2n(n1)CCC[C@H]2O ZINC001362250759 971072262 /nfs/dbraw/zinc/07/22/62/971072262.db2.gz WRRKJGCNEYOLNZ-LLVKDONJSA-N -1 3 291.282 1.807 10 0 CDAEHM CC[C@H](N)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001261579560 946182210 /nfs/dbraw/zinc/18/22/10/946182210.db2.gz QHGCTFYWOHZTGC-SRVKXCTJSA-N -1 3 262.309 1.153 10 0 CDAEHM CC(C)=CC[C@@H](NCc1cnn(C)c1Cl)C(=O)[O-] ZINC001262163162 946481471 /nfs/dbraw/zinc/48/14/71/946481471.db2.gz JIHAOSZURRFJDH-SNVBAGLBSA-N -1 3 271.748 1.973 10 0 CDAEHM CCC[C@@H](O)CC(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001362995984 971800234 /nfs/dbraw/zinc/80/02/34/971800234.db2.gz LNSBJRVXZOIBAA-SECBINFHSA-N -1 3 283.328 1.465 10 0 CDAEHM CCC[C@@H](O)CC(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001362995984 971800237 /nfs/dbraw/zinc/80/02/37/971800237.db2.gz LNSBJRVXZOIBAA-SECBINFHSA-N -1 3 283.328 1.465 10 0 CDAEHM O=C(c1cc(F)ccc1[O-])N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001363042077 971840288 /nfs/dbraw/zinc/84/02/88/971840288.db2.gz XAUTWACOJYGFAM-QWRGUYRKSA-N -1 3 282.290 1.400 10 0 CDAEHM CC(=O)NCc1cccc(C(=O)Nc2nc(C)ccc2[O-])c1 ZINC001363089051 971875502 /nfs/dbraw/zinc/87/55/02/971875502.db2.gz DUIUPQUXPICKQA-UHFFFAOYSA-N -1 3 299.330 1.984 10 0 CDAEHM CCCn1cc(CNC(=O)c2cc([O-])ccc2Cl)nn1 ZINC001363546342 953437896 /nfs/dbraw/zinc/43/78/96/953437896.db2.gz HGSOCSNXZGUEEN-UHFFFAOYSA-N -1 3 294.742 1.977 10 0 CDAEHM CCOc1nnc(NC(=O)c2cccc(C(C)=O)c2)[n-]1 ZINC001363188806 971956138 /nfs/dbraw/zinc/95/61/38/971956138.db2.gz DJCWAKKUDZBKKJ-UHFFFAOYSA-N -1 3 274.280 1.658 10 0 CDAEHM CCOc1nc(NC(=O)c2cccc(C(C)=O)c2)n[n-]1 ZINC001363188806 971956144 /nfs/dbraw/zinc/95/61/44/971956144.db2.gz DJCWAKKUDZBKKJ-UHFFFAOYSA-N -1 3 274.280 1.658 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2cccc(C(C)=O)c2)n1 ZINC001363188806 971956150 /nfs/dbraw/zinc/95/61/50/971956150.db2.gz DJCWAKKUDZBKKJ-UHFFFAOYSA-N -1 3 274.280 1.658 10 0 CDAEHM COc1nn(C)cc1CNC(=O)c1cc([O-])ccc1Cl ZINC001363909015 954008587 /nfs/dbraw/zinc/00/85/87/954008587.db2.gz YXEADZSHWVXESX-UHFFFAOYSA-N -1 3 295.726 1.718 10 0 CDAEHM O=Cc1ccc(F)c(C(=O)[N-]c2nncs2)c1 ZINC001291728485 954109105 /nfs/dbraw/zinc/10/91/05/954109105.db2.gz AXCRIULUVYGLLP-UHFFFAOYSA-N -1 3 251.242 1.742 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNc1ncnc2[nH]c(Cl)cc21 ZINC001364177138 954290928 /nfs/dbraw/zinc/29/09/28/954290928.db2.gz PEPYMIMGGYTNPU-ZETCQYMHSA-N -1 3 292.730 1.535 10 0 CDAEHM Cc1cncc(CCNCc2cccc(C(=O)[O-])n2)n1 ZINC001334805237 954333893 /nfs/dbraw/zinc/33/38/93/954333893.db2.gz CUTLCCTVIHDOTO-UHFFFAOYSA-N -1 3 272.308 1.211 10 0 CDAEHM Cc1cc([C@H](N)CC(=O)NC[C@H](C)C(=O)[O-])cc(Cl)n1 ZINC001327895589 955103147 /nfs/dbraw/zinc/10/31/47/955103147.db2.gz NWVPOWASTRDQEU-OIBJUYFYSA-N -1 3 299.758 1.270 10 0 CDAEHM CCc1cc(NC(=O)Cc2ccc([O-])c(F)c2)n[nH]1 ZINC001299776226 955286900 /nfs/dbraw/zinc/28/69/00/955286900.db2.gz RETPXIKJHPZOFH-UHFFFAOYSA-N -1 3 263.272 1.998 10 0 CDAEHM O=C(CCc1cncnc1)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001363361095 972114049 /nfs/dbraw/zinc/11/40/49/972114049.db2.gz VLWFOGJGDUMTTO-UHFFFAOYSA-N -1 3 299.334 1.099 10 0 CDAEHM CCn1ncc(CN[C@@H]2CC[C@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC001332438538 957565323 /nfs/dbraw/zinc/56/53/23/957565323.db2.gz SDLDXTHMZDTNDN-UMNHJUIQSA-N -1 3 266.345 1.277 10 0 CDAEHM CN1CCC[C@H]2[C@@H]1CCN2C(=O)C1(C(=O)[O-])CC=CC1 ZINC001332446902 957567562 /nfs/dbraw/zinc/56/75/62/957567562.db2.gz AXGMAMWZDKCKKG-RYUDHWBXSA-N -1 3 278.352 1.103 10 0 CDAEHM COC(=O)c1cc(C(=O)[N-]c2ncncc2C(C)C)no1 ZINC001433560871 960403791 /nfs/dbraw/zinc/40/37/91/960403791.db2.gz TVOOTWWBWAJDKA-UHFFFAOYSA-N -1 3 290.279 1.627 10 0 CDAEHM c1csc(CN2CCC(Cc3nnn[n-]3)CC2)n1 ZINC001560114673 960858088 /nfs/dbraw/zinc/85/80/88/960858088.db2.gz WWIKRVRLFWMYIY-UHFFFAOYSA-N -1 3 264.358 1.111 10 0 CDAEHM c1csc(CN2CCC(Cc3nn[n-]n3)CC2)n1 ZINC001560114673 960858094 /nfs/dbraw/zinc/85/80/94/960858094.db2.gz WWIKRVRLFWMYIY-UHFFFAOYSA-N -1 3 264.358 1.111 10 0 CDAEHM O=C(c1cncc([O-])c1)N1CCN[C@H](Cc2ccccc2)C1 ZINC001434272925 961128318 /nfs/dbraw/zinc/12/83/18/961128318.db2.gz FMOVWVOKYKBOLJ-OAHLLOKOSA-N -1 3 297.358 1.444 10 0 CDAEHM O=C(CCC1(O)CCC1)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001434357686 961197276 /nfs/dbraw/zinc/19/72/76/961197276.db2.gz ROYCKRXHEVLKNA-UHFFFAOYSA-N -1 3 291.351 1.371 10 0 CDAEHM CC(C)OC(=O)c1cc(NC(=O)Cc2ccon2)[n-]n1 ZINC001434384800 961264091 /nfs/dbraw/zinc/26/40/91/961264091.db2.gz HYUGMZHZHCYGSM-UHFFFAOYSA-N -1 3 278.268 1.144 10 0 CDAEHM CC(C)OC(=O)c1cc(NC(=O)Cc2ccon2)n[n-]1 ZINC001434384800 961264109 /nfs/dbraw/zinc/26/41/09/961264109.db2.gz HYUGMZHZHCYGSM-UHFFFAOYSA-N -1 3 278.268 1.144 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](C)COC)c1 ZINC001345690780 964785175 /nfs/dbraw/zinc/78/51/75/964785175.db2.gz FXROMYBFBYZWSB-JTQLQIEISA-N -1 3 292.335 1.529 10 0 CDAEHM COCc1cc(O)ccc1NC(=O)c1cc(=O)[n-]cn1 ZINC001556983259 965129156 /nfs/dbraw/zinc/12/91/56/965129156.db2.gz ZJJFIBWCXDSAHH-UHFFFAOYSA-N -1 3 275.264 1.287 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1cccnc1C ZINC001443447566 965469552 /nfs/dbraw/zinc/46/95/52/965469552.db2.gz APYAKECAYYPGEB-SZZPACECSA-N -1 3 286.335 1.031 10 0 CDAEHM CC/C=C(/F)C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001348076000 965812593 /nfs/dbraw/zinc/81/25/93/965812593.db2.gz FOCKIXXPXCHSES-XCVCLJGOSA-N -1 3 267.308 1.244 10 0 CDAEHM CC/C=C(/F)C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001348076000 965812601 /nfs/dbraw/zinc/81/26/01/965812601.db2.gz FOCKIXXPXCHSES-XCVCLJGOSA-N -1 3 267.308 1.244 10 0 CDAEHM Cn1cnc(/C=C/C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC001445882238 966377056 /nfs/dbraw/zinc/37/70/56/966377056.db2.gz QKLSFRHLWRNCQI-HWKANZROSA-N -1 3 275.283 1.594 10 0 CDAEHM O=C(NC[C@@H]1C[C@@H]1C1CCCC1)c1cc(=O)[n-]cn1 ZINC001349737779 966452374 /nfs/dbraw/zinc/45/23/74/966452374.db2.gz YWAWOVRTGVDSLV-WDEREUQCSA-N -1 3 261.325 1.738 10 0 CDAEHM O=C(Nc1cccc([O-])c1F)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001446243185 966495168 /nfs/dbraw/zinc/49/51/68/966495168.db2.gz XKMJPARWOMWKHC-NXEZZACHSA-N -1 3 292.270 1.071 10 0 CDAEHM CCN1[C@H](C)CN(C(=O)c2ccc([O-])cn2)C[C@@H]1C ZINC001452584242 968142519 /nfs/dbraw/zinc/14/25/19/968142519.db2.gz TYUFRAANBHAGLX-PHIMTYICSA-N -1 3 263.341 1.342 10 0 CDAEHM O=C(NCCCOCCO)c1cc2sccc2c([O-])c1 ZINC001546067520 968595764 /nfs/dbraw/zinc/59/57/64/968595764.db2.gz SZRQILWUDMHGEV-UHFFFAOYSA-N -1 3 295.360 1.736 10 0 CDAEHM CCO[C@H](CC)C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456379006 968953121 /nfs/dbraw/zinc/95/31/21/968953121.db2.gz DESDHCGAUDWSJW-RNFRBKRXSA-N -1 3 294.277 1.816 10 0 CDAEHM CSc1cnc(NCCc2c(C)[n-][nH]c2=O)nc1 ZINC001458191737 969268402 /nfs/dbraw/zinc/26/84/02/969268402.db2.gz OSDFBONITWFDDN-SECBINFHSA-N -1 3 265.342 1.122 10 0 CDAEHM COc1cnc(F)c(C(=O)[N-]c2nocc2C)c1 ZINC001532005809 969305894 /nfs/dbraw/zinc/30/58/94/969305894.db2.gz WYBGQTYXKKRFJC-UHFFFAOYSA-N -1 3 251.217 1.778 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)c2cc(F)ccc2N)n1 ZINC001469726285 970268148 /nfs/dbraw/zinc/26/81/48/970268148.db2.gz WPPMEBYJYTYANG-UHFFFAOYSA-N -1 3 276.271 1.142 10 0 CDAEHM CN(C(=O)c1cccc2[nH]c(C(F)F)nc21)c1nnn[n-]1 ZINC001470572694 970344355 /nfs/dbraw/zinc/34/43/55/970344355.db2.gz SKPAFOLXDJWKGK-UHFFFAOYSA-N -1 3 293.237 1.290 10 0 CDAEHM CN(C(=O)c1cccc2[nH]c(C(F)F)nc21)c1nn[n-]n1 ZINC001470572694 970344362 /nfs/dbraw/zinc/34/43/62/970344362.db2.gz SKPAFOLXDJWKGK-UHFFFAOYSA-N -1 3 293.237 1.290 10 0 CDAEHM Cc1cccc(C)c1OC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC001521851736 970366099 /nfs/dbraw/zinc/36/60/99/970366099.db2.gz GBMOZUPIIOCTGF-UHFFFAOYSA-N -1 3 275.264 1.306 10 0 CDAEHM CC[C@H](C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1)C(=O)OC ZINC001472091392 970568136 /nfs/dbraw/zinc/56/81/36/970568136.db2.gz VXBYULSXUWXVPY-MRVPVSSYSA-N -1 3 297.311 1.113 10 0 CDAEHM CC[C@H](C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1)C(=O)OC ZINC001472091392 970568143 /nfs/dbraw/zinc/56/81/43/970568143.db2.gz VXBYULSXUWXVPY-MRVPVSSYSA-N -1 3 297.311 1.113 10 0 CDAEHM O=C(Nc1nnc(C(F)(F)F)s1)c1ns[n-]c1=O ZINC001361890789 970646342 /nfs/dbraw/zinc/64/63/42/970646342.db2.gz DHFQNFZWCBRMTR-UHFFFAOYSA-N -1 3 297.243 1.366 10 0 CDAEHM C[C@H](O)[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1ccccc1F ZINC001472823183 970708948 /nfs/dbraw/zinc/70/89/48/970708948.db2.gz YVEBOYRVSXKFCH-QPUJVOFHSA-N -1 3 287.298 1.400 10 0 CDAEHM CC[C@@H]1CCC[C@@]1(C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001417636401 973221423 /nfs/dbraw/zinc/22/14/23/973221423.db2.gz YMJSQHAUZBTWTD-TYNCELHUSA-N -1 3 279.384 1.831 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(F)(F)c1ccccc1 ZINC001417636239 973223199 /nfs/dbraw/zinc/22/31/99/973223199.db2.gz DADMNWKPIFEFDW-LLVKDONJSA-N -1 3 295.289 1.407 10 0 CDAEHM CSCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001397116272 975469004 /nfs/dbraw/zinc/46/90/04/975469004.db2.gz HBTLPZKXEDRZJA-JTQLQIEISA-N -1 3 294.376 1.086 10 0 CDAEHM CC(=O)NCC1(NC(=O)c2ccccc2[O-])CCCCC1 ZINC001395222336 978356948 /nfs/dbraw/zinc/35/69/48/978356948.db2.gz VGKHMNIBFYOMBY-UHFFFAOYSA-N -1 3 290.363 1.961 10 0 CDAEHM CC(C)=C(F)C(=O)NCCC[C@@H](C)NC(=O)c1cn[n-]n1 ZINC001572125323 1170575892 /nfs/dbraw/zinc/57/58/92/1170575892.db2.gz WKFLLOJTPZHKEP-SECBINFHSA-N -1 3 297.334 1.083 10 0 CDAEHM Cn1cc(CN[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])nn1 ZINC001647410263 1126249146 /nfs/dbraw/zinc/24/91/46/1126249146.db2.gz IPRUDKXDIMQBEP-LBPRGKRZSA-N -1 3 294.742 1.254 10 0 CDAEHM O=S(=O)(C[C@@H]1CCCCO1)[N-]Cc1ccc(Cl)o1 ZINC000585767006 342456144 /nfs/dbraw/zinc/45/61/44/342456144.db2.gz GUKZBBZGOWGBJL-JTQLQIEISA-N -1 3 293.772 1.922 10 0 CDAEHM C[C@H]1CC[C@@H](NC(=O)c2cccc([O-])c2)CS1(=O)=O ZINC000618308852 349434819 /nfs/dbraw/zinc/43/48/19/349434819.db2.gz XTPBPZSGKWUKOU-GXSJLCMTSA-N -1 3 283.349 1.088 10 0 CDAEHM COc1ccc(OC)c(NC(=O)c2cnc(C)[n-]c2=O)c1 ZINC000082332175 177966564 /nfs/dbraw/zinc/96/65/64/177966564.db2.gz OTOCLEOVDZLPRW-UHFFFAOYSA-N -1 3 289.291 1.348 10 0 CDAEHM Cn1ncc2c1cc(Br)cc2-c1nnn[n-]1 ZINC000114444595 342532480 /nfs/dbraw/zinc/53/24/80/342532480.db2.gz LGHDVWOBSNFSAO-UHFFFAOYSA-N -1 3 279.101 1.516 10 0 CDAEHM Cn1ncc2c1cc(Br)cc2-c1nn[n-]n1 ZINC000114444595 342532481 /nfs/dbraw/zinc/53/24/81/342532481.db2.gz LGHDVWOBSNFSAO-UHFFFAOYSA-N -1 3 279.101 1.516 10 0 CDAEHM O=C([O-])[C@@H](NCc1ccccc1)C1(F)CCOCC1 ZINC000149824013 342003292 /nfs/dbraw/zinc/00/32/92/342003292.db2.gz HPOIUJLDVQAXIU-GFCCVEGCSA-N -1 3 267.300 1.748 10 0 CDAEHM COC(=O)[C@@H]1O[C@@H](C(=O)Nc2cccc([O-])c2F)C[C@H]1C ZINC000601387318 342559185 /nfs/dbraw/zinc/55/91/85/342559185.db2.gz UQVGOIFFEZPDGK-NYRNMGCKSA-N -1 3 297.282 1.436 10 0 CDAEHM CO[C@@H](C(=O)N=c1cc(-c2ccncc2)[n-][nH]1)C(C)C ZINC000354544367 365541621 /nfs/dbraw/zinc/54/16/21/365541621.db2.gz XJZOCZOYKHHHGW-CYBMUJFWSA-N -1 3 274.324 1.503 10 0 CDAEHM C[C@@]12COC[C@@H]1CN(C(=O)c1ccc3n[n-]nc3c1)C2 ZINC000618727838 349518078 /nfs/dbraw/zinc/51/80/78/349518078.db2.gz YFSKHMWSLNLKMY-IINYFYTJSA-N -1 3 272.308 1.066 10 0 CDAEHM COC(=O)c1cc(C(=O)[N-]c2cccc(C3CC3)n2)on1 ZINC000590495494 342568687 /nfs/dbraw/zinc/56/86/87/342568687.db2.gz WFNJYCBABSSABK-UHFFFAOYSA-N -1 3 287.275 1.986 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000624870654 342019551 /nfs/dbraw/zinc/01/95/51/342019551.db2.gz DQSJEVYWROSTJQ-BXUZGUMPSA-N -1 3 294.326 1.898 10 0 CDAEHM C[C@@H]1C[C@H]1CSc1nc2c(cnn2C)c(=O)[n-]1 ZINC000629219180 361741045 /nfs/dbraw/zinc/74/10/45/361741045.db2.gz AJQIBEZKEIKVCT-RQJHMYQMSA-N -1 3 250.327 1.817 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)CCO)c(F)c1F ZINC000625027143 342027468 /nfs/dbraw/zinc/02/74/68/342027468.db2.gz KBVWPLCJVGAXPB-MRVPVSSYSA-N -1 3 293.335 1.570 10 0 CDAEHM COC1(C[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)CCCC1 ZINC000625236374 342044999 /nfs/dbraw/zinc/04/49/99/342044999.db2.gz VXSKJJPLSABLDQ-LLVKDONJSA-N -1 3 291.413 1.433 10 0 CDAEHM O=C(Nc1ccc([O-])cc1Cl)[C@@H]1CNC(=O)C1 ZINC000616942085 342589879 /nfs/dbraw/zinc/58/98/79/342589879.db2.gz PWEGXSLCLDMNMW-LURJTMIESA-N -1 3 254.673 1.120 10 0 CDAEHM CCCCS(=O)(=O)[N-]C[C@@H](n1cccn1)C(F)(F)F ZINC000625331414 342082246 /nfs/dbraw/zinc/08/22/46/342082246.db2.gz SGCDBOMXRQZEFG-SECBINFHSA-N -1 3 299.318 1.706 10 0 CDAEHM CN(C)C(=O)C1(NC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000622703433 342096439 /nfs/dbraw/zinc/09/64/39/342096439.db2.gz AAGBDGYTLSMEAM-UHFFFAOYSA-N -1 3 282.727 1.396 10 0 CDAEHM CN(C)C1(CNC(=O)c2s[n-]c(=O)c2Cl)CC1 ZINC000622721075 342136052 /nfs/dbraw/zinc/13/60/52/342136052.db2.gz AFZORJOLIMRJAR-UHFFFAOYSA-N -1 3 275.761 1.326 10 0 CDAEHM O=C(N[C@@H]1C[C@H](O)C12CCC2)c1c[n-]nc1-c1ccccn1 ZINC000619069355 349613242 /nfs/dbraw/zinc/61/32/42/349613242.db2.gz CUHORACCNYDRKP-OLZOCXBDSA-N -1 3 298.346 1.505 10 0 CDAEHM COCCN(Cc1cnc(C(=O)[O-])cn1)C1CCCC1 ZINC000629360452 361860467 /nfs/dbraw/zinc/86/04/67/361860467.db2.gz CFWLZBXSTOIDIE-UHFFFAOYSA-N -1 3 279.340 1.566 10 0 CDAEHM Cn1cc(C[S@](=O)Cc2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC000593008535 342753861 /nfs/dbraw/zinc/75/38/61/342753861.db2.gz PSMJOPFHYFJURR-FQEVSTJZSA-N -1 3 292.364 1.242 10 0 CDAEHM CO[C@@H]1CCC[C@H]1Sc1nnc2[n-]c(=O)c(C)nn21 ZINC000273102637 192043870 /nfs/dbraw/zinc/04/38/70/192043870.db2.gz LGGDYBNIUSFGRY-HTQZYQBOSA-N -1 3 281.341 1.193 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000625774629 342198015 /nfs/dbraw/zinc/19/80/15/342198015.db2.gz QKVVELSJPHEONR-LLVKDONJSA-N -1 3 297.376 1.207 10 0 CDAEHM CCO[C@@H]1C[C@H]1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000177554195 539092081 /nfs/dbraw/zinc/09/20/81/539092081.db2.gz IOEAZEFWJJFHSU-VXGBXAGGSA-N -1 3 287.323 1.154 10 0 CDAEHM CCO[C@@H]1C[C@H]1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000177554195 539092082 /nfs/dbraw/zinc/09/20/82/539092082.db2.gz IOEAZEFWJJFHSU-VXGBXAGGSA-N -1 3 287.323 1.154 10 0 CDAEHM NC(=O)c1cccc(Cc2nc3cccnc3c(=O)[n-]2)c1 ZINC000491821428 539120156 /nfs/dbraw/zinc/12/01/56/539120156.db2.gz RZSHGOGNFFNEJB-UHFFFAOYSA-N -1 3 280.287 1.420 10 0 CDAEHM C[C@H](NC(=O)c1c[n-]nn1)c1cccc(Cl)c1 ZINC000108285019 349732982 /nfs/dbraw/zinc/73/29/82/349732982.db2.gz NDJXFEVBGGTNKC-ZETCQYMHSA-N -1 3 250.689 1.949 10 0 CDAEHM C[C@H](NC(=O)c1cnn[n-]1)c1cccc(Cl)c1 ZINC000108285019 349732985 /nfs/dbraw/zinc/73/29/85/349732985.db2.gz NDJXFEVBGGTNKC-ZETCQYMHSA-N -1 3 250.689 1.949 10 0 CDAEHM C[C@H](NC(=O)c1cn[n-]n1)c1cccc(Cl)c1 ZINC000108285019 349732986 /nfs/dbraw/zinc/73/29/86/349732986.db2.gz NDJXFEVBGGTNKC-ZETCQYMHSA-N -1 3 250.689 1.949 10 0 CDAEHM C[C@@H]1CCC[C@@H](c2noc(C[C@@H]3NC(=O)[N-]C3=O)n2)C1 ZINC000273899062 192353192 /nfs/dbraw/zinc/35/31/92/192353192.db2.gz IYDFJIONEHFLOA-HLTSFMKQSA-N -1 3 278.312 1.114 10 0 CDAEHM CCCC[C@@H](CN)N=c1[n-]nc(C(F)F)s1 ZINC000336664015 362163159 /nfs/dbraw/zinc/16/31/59/362163159.db2.gz PAAHFJFFZCWYCF-LURJTMIESA-N -1 3 250.318 1.827 10 0 CDAEHM COc1cc(C(=O)N2CCC[C@@](O)(C3CC3)C2)ccc1[O-] ZINC000618294746 342388809 /nfs/dbraw/zinc/38/88/09/342388809.db2.gz TXAUWJROESDDKI-INIZCTEOSA-N -1 3 291.347 1.778 10 0 CDAEHM CCc1nn(C)cc1[N-]S(=O)(=O)N1CCC[C@H](C)C1 ZINC000091021743 342399119 /nfs/dbraw/zinc/39/91/19/342399119.db2.gz JPMXNLTYFFOZEN-JTQLQIEISA-N -1 3 286.401 1.371 10 0 CDAEHM C[C@H]1COCCN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000093943553 342427489 /nfs/dbraw/zinc/42/74/89/342427489.db2.gz ZFOZCDRPWMULTM-JTQLQIEISA-N -1 3 291.347 1.967 10 0 CDAEHM COc1nnc(NC(=O)C2C3CC4CC(C3)CC2C4)[n-]1 ZINC000158169194 362208232 /nfs/dbraw/zinc/20/82/32/362208232.db2.gz YHDZSHQOQUDRAP-UHFFFAOYSA-N -1 3 276.340 1.824 10 0 CDAEHM COc1nc(NC(=O)C2C3CC4CC(C3)CC2C4)n[n-]1 ZINC000158169194 362208235 /nfs/dbraw/zinc/20/82/35/362208235.db2.gz YHDZSHQOQUDRAP-UHFFFAOYSA-N -1 3 276.340 1.824 10 0 CDAEHM COc1n[n-]c(NC(=O)C2C3CC4CC(C3)CC2C4)n1 ZINC000158169194 362208239 /nfs/dbraw/zinc/20/82/39/362208239.db2.gz YHDZSHQOQUDRAP-UHFFFAOYSA-N -1 3 276.340 1.824 10 0 CDAEHM O=C(NCc1ncccc1[O-])[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000626738103 346966620 /nfs/dbraw/zinc/96/66/20/346966620.db2.gz JKXHCAXWCVUPPC-UHOFOFEASA-N -1 3 280.327 1.989 10 0 CDAEHM CCc1cccc(C(=O)N(C)[C@H]2C[C@@H](C(=O)OC)C2)c1[O-] ZINC000598427196 343787358 /nfs/dbraw/zinc/78/73/58/343787358.db2.gz RFMCEHNNFGMYAA-TXEJJXNPSA-N -1 3 291.347 1.978 10 0 CDAEHM [O-]C(=Cc1ncccc1Br)c1cn[nH]n1 ZINC000306734814 362365978 /nfs/dbraw/zinc/36/59/78/362365978.db2.gz VGWQPJOMIMWDLH-UHFFFAOYSA-N -1 3 267.086 1.388 10 0 CDAEHM C[C@H](NC(=O)c1cccc([O-])c1)C(=O)OC(C)(C)C ZINC000148140217 362448305 /nfs/dbraw/zinc/44/83/05/362448305.db2.gz BDHBJBYHJSLBKI-VIFPVBQESA-N -1 3 265.309 1.852 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)c1 ZINC000617441764 345538060 /nfs/dbraw/zinc/53/80/60/345538060.db2.gz DQZZRHILLHDGJZ-JOYOIKCWSA-N -1 3 286.335 1.982 10 0 CDAEHM Cc1ccc([C@H](O)[C@@H](N)C(=O)[O-])c(Br)c1 ZINC000129662859 345778058 /nfs/dbraw/zinc/77/80/58/345778058.db2.gz DMYJQNQCEDUAMA-BDAKNGLRSA-N -1 3 274.114 1.203 10 0 CDAEHM CCN(C(=O)c1csc(=NC2CC2)[n-]1)[C@H]1CCN(C)C1 ZINC000617551970 345846753 /nfs/dbraw/zinc/84/67/53/345846753.db2.gz DBLMRYBFZATUKV-NSHDSACASA-N -1 3 294.424 1.306 10 0 CDAEHM Cc1ccc(C(=O)N[C@H]2Cc3cncn3C2)c([O-])c1C ZINC000623262422 345873230 /nfs/dbraw/zinc/87/32/30/345873230.db2.gz AVXNTOSJIMFICL-NSHDSACASA-N -1 3 271.320 1.560 10 0 CDAEHM O=C(NC[C@H]1CCc2cccnc21)c1cc(=O)[n-]cn1 ZINC000623321694 346041877 /nfs/dbraw/zinc/04/18/77/346041877.db2.gz SJSRHTUCOJQMFC-SNVBAGLBSA-N -1 3 270.292 1.037 10 0 CDAEHM CCCN1c2ccc([N-]S(=O)(=O)COC)cc2CC1=O ZINC000584605475 346498136 /nfs/dbraw/zinc/49/81/36/346498136.db2.gz REHNIYJSKLKORV-UHFFFAOYSA-N -1 3 298.364 1.331 10 0 CDAEHM CCc1cccc(C(=O)N2CC[C@@H](O)C(F)(F)C2)c1[O-] ZINC000617809101 346586627 /nfs/dbraw/zinc/58/66/27/346586627.db2.gz JTXSYNUODSMIIN-LLVKDONJSA-N -1 3 285.290 1.797 10 0 CDAEHM COC(=O)[C@H]1C[C@@H](C)CCN1Cc1nc(C)ccc1[O-] ZINC000274967467 365872863 /nfs/dbraw/zinc/87/28/63/365872863.db2.gz VOEPGGNOXNWKGZ-GXFFZTMASA-N -1 3 278.352 1.869 10 0 CDAEHM CSc1ccc(NC(=O)[C@H](N)CC(=O)[O-])cc1 ZINC000085810951 179177682 /nfs/dbraw/zinc/17/76/82/179177682.db2.gz HEKBGYXCQGOXIR-SECBINFHSA-N -1 3 254.311 1.149 10 0 CDAEHM C[C@H](Cc1ccccc1Cl)NC(=O)[C@H](N)CC(=O)[O-] ZINC000085812708 179178039 /nfs/dbraw/zinc/17/80/39/179178039.db2.gz ZOKLAHWRGVPWSH-LDYMZIIASA-N -1 3 284.743 1.189 10 0 CDAEHM N[C@@H](CCC(=O)[O-])C(=O)Nc1cccc2c(O)cccc12 ZINC000085819680 179183251 /nfs/dbraw/zinc/18/32/51/179183251.db2.gz YFQFRQODEGXCBY-NSHDSACASA-N -1 3 288.303 1.676 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)Nc1cccc2c(O)cccc12 ZINC000085814356 179179158 /nfs/dbraw/zinc/17/91/58/179179158.db2.gz LIQMHMFZXHSDHP-JTQLQIEISA-N -1 3 274.276 1.286 10 0 CDAEHM CCOc1ccc(Cl)cc1NC(=O)[C@@H](N)CC(=O)[O-] ZINC000085815204 179179302 /nfs/dbraw/zinc/17/93/02/179179302.db2.gz QKRUXSIKSOVLMS-QMMMGPOBSA-N -1 3 286.715 1.479 10 0 CDAEHM CCN(Cc1cccc(C)c1)C(=O)[C@@H](N)CC(=O)[O-] ZINC000085815947 179180288 /nfs/dbraw/zinc/18/02/88/179180288.db2.gz FESLCMWIARDJCI-LBPRGKRZSA-N -1 3 264.325 1.146 10 0 CDAEHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H](N)CC(=O)[O-] ZINC000085815854 179180469 /nfs/dbraw/zinc/18/04/69/179180469.db2.gz DZCRXBGJDOOWKZ-KCJUWKMLSA-N -1 3 284.743 1.661 10 0 CDAEHM CC[C@@H](NC(=O)c1csc(=O)[n-]1)C(F)(F)F ZINC000352065680 362822697 /nfs/dbraw/zinc/82/26/97/362822697.db2.gz NYNUHFUMUKMXNG-RXMQYKEDSA-N -1 3 254.233 1.919 10 0 CDAEHM CC[C@H]1CC[C@H]([N-]S(=O)(=O)c2c[nH]c(C)n2)[C@@H]1C ZINC000086103989 179230864 /nfs/dbraw/zinc/23/08/64/179230864.db2.gz LGYTXJSZFAAVAA-MIMYLULJSA-N -1 3 271.386 1.821 10 0 CDAEHM Cc1nc2scc(C3CC3)n2c1CNCc1cnn[n-]1 ZINC000623578136 347642948 /nfs/dbraw/zinc/64/29/48/347642948.db2.gz WMOWQIBWLBFFCC-UHFFFAOYSA-N -1 3 288.380 1.990 10 0 CDAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CC2(C1)CCOCC2 ZINC000613341863 347691608 /nfs/dbraw/zinc/69/16/08/347691608.db2.gz DTDZQMKXORIKJX-UHFFFAOYSA-N -1 3 290.298 1.350 10 0 CDAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CC2(C1)CCOCC2 ZINC000613341863 347691612 /nfs/dbraw/zinc/69/16/12/347691612.db2.gz DTDZQMKXORIKJX-UHFFFAOYSA-N -1 3 290.298 1.350 10 0 CDAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CC2(C1)CCOCC2 ZINC000613341863 347691614 /nfs/dbraw/zinc/69/16/14/347691614.db2.gz DTDZQMKXORIKJX-UHFFFAOYSA-N -1 3 290.298 1.350 10 0 CDAEHM COc1ccc(NC(=O)C(C)(C)n2cccn2)c([O-])c1 ZINC000613833105 347918910 /nfs/dbraw/zinc/91/89/10/347918910.db2.gz UZNVYTFDVOCEEZ-UHFFFAOYSA-N -1 3 275.308 1.971 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)c2nnn(C(C)(C)C)n2)n1 ZINC000614163460 348006300 /nfs/dbraw/zinc/00/63/00/348006300.db2.gz BMGLRJLMFUQDAZ-UHFFFAOYSA-N -1 3 276.300 1.089 10 0 CDAEHM Cc1ccc(O)c([N-]C(=O)c2nnn(C(C)(C)C)n2)n1 ZINC000614163460 348006303 /nfs/dbraw/zinc/00/63/03/348006303.db2.gz BMGLRJLMFUQDAZ-UHFFFAOYSA-N -1 3 276.300 1.089 10 0 CDAEHM C[C@@H](Cc1ccco1)C(=O)NCc1ncccc1[O-] ZINC000614255052 348059450 /nfs/dbraw/zinc/05/94/50/348059450.db2.gz NLQJPWWXTFDCBO-JTQLQIEISA-N -1 3 260.293 1.875 10 0 CDAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@@H]1C[C@H]1C ZINC000614829232 348243201 /nfs/dbraw/zinc/24/32/01/348243201.db2.gz YMGAEQNTVIFJHW-CHWFTXMASA-N -1 3 291.351 1.523 10 0 CDAEHM O=C(NCCCc1cc(=O)[nH][n-]1)C1CCC(C2CC2)CC1 ZINC000614923337 348274953 /nfs/dbraw/zinc/27/49/53/348274953.db2.gz SHHFKHVLOUUYHK-UHFFFAOYSA-N -1 3 291.395 1.975 10 0 CDAEHM CC(C)[C@@H](O)C[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000271110340 190949046 /nfs/dbraw/zinc/94/90/46/190949046.db2.gz NHAQSFQVVGQGQY-LBPRGKRZSA-N -1 3 293.335 1.401 10 0 CDAEHM CCOC(=O)c1nnc(CNC(=O)[C@H]2CCC[C@H](C)C2)[n-]1 ZINC000615917478 348995239 /nfs/dbraw/zinc/99/52/39/348995239.db2.gz NCPGEQJMFHUSPL-UWVGGRQHSA-N -1 3 294.355 1.424 10 0 CDAEHM CCOC(=O)c1nnc(CNC(=O)CC2CCCC2)[n-]1 ZINC000615920477 349002806 /nfs/dbraw/zinc/00/28/06/349002806.db2.gz WSKBSEULOXTPIQ-UHFFFAOYSA-N -1 3 280.328 1.178 10 0 CDAEHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@@H]1c1cn[nH]c1 ZINC000615903526 348968658 /nfs/dbraw/zinc/96/86/58/348968658.db2.gz VLDBJCVIHQNPEM-CYBMUJFWSA-N -1 3 282.307 1.658 10 0 CDAEHM O=C(c1cc([O-])ccc1Cl)N1CCC12COC2 ZINC000615923961 349011542 /nfs/dbraw/zinc/01/15/42/349011542.db2.gz WCVOQQPWVFJKHY-UHFFFAOYSA-N -1 3 253.685 1.661 10 0 CDAEHM O=C(NCc1ccc([O-])c2ncccc12)C1CC(=O)C1 ZINC000616022580 349248596 /nfs/dbraw/zinc/24/85/96/349248596.db2.gz HQORTLRTNRNXJF-UHFFFAOYSA-N -1 3 270.288 1.536 10 0 CDAEHM O=C(NC1CC(CO)C1)c1c[n-]c2ccccc2c1=O ZINC000620887073 350363369 /nfs/dbraw/zinc/36/33/69/350363369.db2.gz QDRMCWIZGTUIEZ-UHFFFAOYSA-N -1 3 272.304 1.029 10 0 CDAEHM CCOc1ccc(CNC(=O)c2c[n-]nn2)cc1F ZINC000106033595 186099561 /nfs/dbraw/zinc/09/95/61/186099561.db2.gz QXIFJDMHSNBUKX-UHFFFAOYSA-N -1 3 264.260 1.273 10 0 CDAEHM CCOc1ccc(CNC(=O)c2cnn[n-]2)cc1F ZINC000106033595 186099562 /nfs/dbraw/zinc/09/95/62/186099562.db2.gz QXIFJDMHSNBUKX-UHFFFAOYSA-N -1 3 264.260 1.273 10 0 CDAEHM CCOc1ccc(CNC(=O)c2cn[n-]n2)cc1F ZINC000106033595 186099563 /nfs/dbraw/zinc/09/95/63/186099563.db2.gz QXIFJDMHSNBUKX-UHFFFAOYSA-N -1 3 264.260 1.273 10 0 CDAEHM CC12CC(C1)CN2C(=O)c1cc(F)cc2[n-]nnc21 ZINC000621216410 350488901 /nfs/dbraw/zinc/48/89/01/350488901.db2.gz LTGLCYITANSTGJ-UHFFFAOYSA-N -1 3 260.272 1.722 10 0 CDAEHM CC12CC(C1)CN2C(=O)c1cc(F)cc2nn[n-]c21 ZINC000621216410 350488904 /nfs/dbraw/zinc/48/89/04/350488904.db2.gz LTGLCYITANSTGJ-UHFFFAOYSA-N -1 3 260.272 1.722 10 0 CDAEHM CC12CC(C1)CN2C(=O)c1cc(F)cc2n[n-]nc21 ZINC000621216410 350488906 /nfs/dbraw/zinc/48/89/06/350488906.db2.gz LTGLCYITANSTGJ-UHFFFAOYSA-N -1 3 260.272 1.722 10 0 CDAEHM COC(=O)[C@@H]1CCCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000112282879 365984461 /nfs/dbraw/zinc/98/44/61/365984461.db2.gz VDGKMIDTOFRBRO-SECBINFHSA-N -1 3 279.292 1.123 10 0 CDAEHM O=C(NCC1(CO)CC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621913287 350852133 /nfs/dbraw/zinc/85/21/33/350852133.db2.gz IYGUONQHVGEIAL-UHFFFAOYSA-N -1 3 289.253 1.913 10 0 CDAEHM C[C@H](O)CCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621920791 350859819 /nfs/dbraw/zinc/85/98/19/350859819.db2.gz ODJZFFRBDKBSRO-ZETCQYMHSA-N -1 3 277.242 1.912 10 0 CDAEHM CC1(C)CC[C@@H](CNC(=O)c2cc(F)c[n-]c2=O)O1 ZINC000621962272 350895657 /nfs/dbraw/zinc/89/56/57/350895657.db2.gz JHNKYRXUYMDZSA-VIFPVBQESA-N -1 3 268.288 1.614 10 0 CDAEHM O=C(NCC1(CF)CCOCC1)c1cc(F)c[n-]c1=O ZINC000622088898 350986470 /nfs/dbraw/zinc/98/64/70/350986470.db2.gz DHWPPXFTRJWZRW-UHFFFAOYSA-N -1 3 286.278 1.422 10 0 CDAEHM NC(=O)C1(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000622433641 351165705 /nfs/dbraw/zinc/16/57/05/351165705.db2.gz MKTAZAKYRLPYLA-UHFFFAOYSA-N -1 3 288.225 1.159 10 0 CDAEHM Cc1noc([C@@H]2OCC[C@@H]2NCc2nc(C)ccc2[O-])n1 ZINC000623816076 351287970 /nfs/dbraw/zinc/28/79/70/351287970.db2.gz WLPPRTAUKSTWAF-GXFFZTMASA-N -1 3 290.323 1.407 10 0 CDAEHM COc1nnc(NC(=O)[C@H](C)Oc2cccc(C)c2)[n-]1 ZINC000158179593 188362822 /nfs/dbraw/zinc/36/28/22/188362822.db2.gz BKUDEZNHPDINJS-VIFPVBQESA-N -1 3 276.296 1.528 10 0 CDAEHM COc1nc(NC(=O)[C@H](C)Oc2cccc(C)c2)n[n-]1 ZINC000158179593 188362823 /nfs/dbraw/zinc/36/28/23/188362823.db2.gz BKUDEZNHPDINJS-VIFPVBQESA-N -1 3 276.296 1.528 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H](C)Oc2cccc(C)c2)n1 ZINC000158179593 188362824 /nfs/dbraw/zinc/36/28/24/188362824.db2.gz BKUDEZNHPDINJS-VIFPVBQESA-N -1 3 276.296 1.528 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)[C@H](C)CO ZINC000158832163 188396383 /nfs/dbraw/zinc/39/63/83/188396383.db2.gz MKYHAKAKGWAVEC-HTQZYQBOSA-N -1 3 278.761 1.030 10 0 CDAEHM CO[C@@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)CC[C@@H]1C ZINC000336265055 363248876 /nfs/dbraw/zinc/24/88/76/363248876.db2.gz YZZNYAJTEXPRLK-IINYFYTJSA-N -1 3 281.327 1.957 10 0 CDAEHM C[C@@H]1C[C@H](CO)CCN1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000629674471 363322866 /nfs/dbraw/zinc/32/28/66/363322866.db2.gz JSQFPUWHNBNDIQ-RKDXNWHRSA-N -1 3 292.314 1.330 10 0 CDAEHM C[C@@H]1C[C@H](CO)CCN1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000629674471 363322873 /nfs/dbraw/zinc/32/28/73/363322873.db2.gz JSQFPUWHNBNDIQ-RKDXNWHRSA-N -1 3 292.314 1.330 10 0 CDAEHM C[C@@H]1C[C@H](CO)CCN1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000629674471 363322879 /nfs/dbraw/zinc/32/28/79/363322879.db2.gz JSQFPUWHNBNDIQ-RKDXNWHRSA-N -1 3 292.314 1.330 10 0 CDAEHM Cc1cc(S(=O)(=O)[N-]CC2(C)COC2)c(F)cc1F ZINC000175797392 366180292 /nfs/dbraw/zinc/18/02/92/366180292.db2.gz SALTZGFMRFJAQP-UHFFFAOYSA-N -1 3 291.319 1.588 10 0 CDAEHM COc1cccc([C@H](N)C(=O)[O-])c1Br ZINC000218364369 366186708 /nfs/dbraw/zinc/18/67/08/366186708.db2.gz ACBFPESONDQHEC-QMMMGPOBSA-N -1 3 260.087 1.542 10 0 CDAEHM Cc1cc(F)c(S(=O)(=O)[N-]C2(CO)CC2)cc1F ZINC000659937156 412624206 /nfs/dbraw/zinc/62/42/06/412624206.db2.gz WUWACWJYZCRHIC-UHFFFAOYSA-N -1 3 277.292 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291.307 1.704 10 0 CDAEHM CCCCSCCC(=O)Nc1nnc(OC)[n-]1 ZINC000179365223 189188790 /nfs/dbraw/zinc/18/87/90/189188790.db2.gz RORFFLLUGNAPCK-UHFFFAOYSA-N -1 3 258.347 1.675 10 0 CDAEHM CCCCSCCC(=O)Nc1n[n-]c(OC)n1 ZINC000179365223 189188791 /nfs/dbraw/zinc/18/87/91/189188791.db2.gz RORFFLLUGNAPCK-UHFFFAOYSA-N -1 3 258.347 1.675 10 0 CDAEHM CCCCSCCC(=O)Nc1nc(OC)n[n-]1 ZINC000179365223 189188792 /nfs/dbraw/zinc/18/87/92/189188792.db2.gz RORFFLLUGNAPCK-UHFFFAOYSA-N -1 3 258.347 1.675 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)[n-]1 ZINC000179371153 189189827 /nfs/dbraw/zinc/18/98/27/189189827.db2.gz HLPMEUBKNJMCBQ-RNFRBKRXSA-N -1 3 294.261 1.834 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)n[n-]1 ZINC000179371153 189189828 /nfs/dbraw/zinc/18/98/28/189189828.db2.gz HLPMEUBKNJMCBQ-RNFRBKRXSA-N -1 3 294.261 1.834 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)n1 ZINC000179371153 189189829 /nfs/dbraw/zinc/18/98/29/189189829.db2.gz HLPMEUBKNJMCBQ-RNFRBKRXSA-N -1 3 294.261 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280.309 1.476 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)[C@@H](C)CO)c1 ZINC000131389821 361080570 /nfs/dbraw/zinc/08/05/70/361080570.db2.gz UGWBIEMYKQNGHD-DTWKUNHWSA-N -1 3 280.324 1.097 10 0 CDAEHM C[C@@H](CC(F)(F)F)NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000338864087 361097579 /nfs/dbraw/zinc/09/75/79/361097579.db2.gz LGQKKSJGQUVFIQ-LURJTMIESA-N -1 3 292.261 1.319 10 0 CDAEHM CCc1cnc(CCN=c2[n-]c(C(N)=O)cs2)s1 ZINC000432312633 361139750 /nfs/dbraw/zinc/13/97/50/361139750.db2.gz PDBVQKLCLRXGDJ-UHFFFAOYSA-N -1 3 282.394 1.337 10 0 CDAEHM NC(=O)c1csc(=NCCc2ccccc2Cl)[n-]1 ZINC000432332940 361146047 /nfs/dbraw/zinc/14/60/47/361146047.db2.gz DHVVQXZROFWYLW-UHFFFAOYSA-N -1 3 281.768 1.972 10 0 CDAEHM O=C(Nc1ccccc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000339112137 361295607 /nfs/dbraw/zinc/29/56/07/361295607.db2.gz RURZCONUJYAWKY-UHFFFAOYSA-N -1 3 270.292 1.772 10 0 CDAEHM Cc1ccc([O-])c(-c2nc(CC(=O)N3CCCC3)no2)c1 ZINC000278001174 366722157 /nfs/dbraw/zinc/72/21/57/366722157.db2.gz 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ZINC000269735478 364324948 /nfs/dbraw/zinc/32/49/48/364324948.db2.gz XCXQMGHYIXXJSP-SNVBAGLBSA-N -1 3 263.337 1.772 10 0 CDAEHM COC(=O)[C@]1(NC(=O)c2ccccc2[O-])CCSC1 ZINC000270726673 364724488 /nfs/dbraw/zinc/72/44/88/364724488.db2.gz DATBFSFZUKNPQH-ZDUSSCGKSA-N -1 3 281.333 1.171 10 0 CDAEHM O=C(NCc1noc(C2CC2)n1)c1cccc([O-])c1 ZINC000357257215 366868544 /nfs/dbraw/zinc/86/85/44/366868544.db2.gz PQFSQFBACLLIGF-UHFFFAOYSA-N -1 3 259.265 1.583 10 0 CDAEHM CC[C@@](C)(NC(=O)c1cccc([O-])c1)C(=O)OC ZINC000272706056 365358624 /nfs/dbraw/zinc/35/86/24/365358624.db2.gz BOPYMYUECNUZQJ-CYBMUJFWSA-N -1 3 251.282 1.464 10 0 CDAEHM CO[C@@H](C)c1noc(CN(C)C(=O)c2cccc([O-])c2)n1 ZINC000357307223 366901924 /nfs/dbraw/zinc/90/19/24/366901924.db2.gz OTTFZVMJHLEYSI-VIFPVBQESA-N -1 3 291.307 1.755 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)Cn2ccnc2)o1 ZINC000414471772 241217461 /nfs/dbraw/zinc/21/74/61/241217461.db2.gz RSORNPZDGLIRPJ-JTQLQIEISA-N -1 3 283.353 1.399 10 0 CDAEHM 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377198965 /nfs/dbraw/zinc/19/89/65/377198965.db2.gz XQHYOVJAVHGFKR-VIFPVBQESA-N -1 3 278.699 1.745 10 0 CDAEHM COc1nnc(NC(=O)[C@H]2Cc3ccc(Cl)cc32)[n-]1 ZINC000632258305 377198973 /nfs/dbraw/zinc/19/89/73/377198973.db2.gz XQHYOVJAVHGFKR-VIFPVBQESA-N -1 3 278.699 1.745 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H]2Cc3ccc(Cl)cc32)n1 ZINC000632258305 377198980 /nfs/dbraw/zinc/19/89/80/377198980.db2.gz XQHYOVJAVHGFKR-VIFPVBQESA-N -1 3 278.699 1.745 10 0 CDAEHM COC1(C[N-]S(=O)(=O)C[C@H]2CCC2(F)F)CCCC1 ZINC000632378136 377364263 /nfs/dbraw/zinc/36/42/63/377364263.db2.gz MONWSBAEOGCHRN-SNVBAGLBSA-N -1 3 297.367 1.910 10 0 CDAEHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1c[nH]c(=O)s1)OC ZINC000632389691 377379334 /nfs/dbraw/zinc/37/93/34/377379334.db2.gz DAJUUJDLABOHQM-SFYZADRCSA-N -1 3 294.398 1.188 10 0 CDAEHM C[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632431411 377441971 /nfs/dbraw/zinc/44/19/71/377441971.db2.gz DXBSGLBWTIMCHA-ZETCQYMHSA-N -1 3 278.399 1.952 10 0 CDAEHM 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CDAEHM C[C@@H](C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccncc1 ZINC000633602934 378580900 /nfs/dbraw/zinc/58/09/00/378580900.db2.gz QIDGWEWLOZPINK-MFKMUULPSA-N -1 3 286.335 1.820 10 0 CDAEHM O=C(N=c1ccn(C2CCSCC2)[nH]1)c1cn[n-]c1 ZINC000633859662 378821976 /nfs/dbraw/zinc/82/19/76/378821976.db2.gz QJGVFRBHASAYLW-UHFFFAOYSA-N -1 3 277.353 1.349 10 0 CDAEHM COC[C@H](NCc1nc(C)ccc1[O-])[C@@H]1CCCO1 ZINC000278646345 194082155 /nfs/dbraw/zinc/08/21/55/194082155.db2.gz MBIRHIJZKXICDY-JSGCOSHPSA-N -1 3 266.341 1.379 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CCO[C@@H](C(F)F)CC1 ZINC000634165418 379110934 /nfs/dbraw/zinc/11/09/34/379110934.db2.gz WPNRXZYFQQZPLR-LLVKDONJSA-N -1 3 286.278 1.212 10 0 CDAEHM O=C(c1cccc2[n-]nnc21)N1CCO[C@@H](C(F)F)CC1 ZINC000634162227 379106073 /nfs/dbraw/zinc/10/60/73/379106073.db2.gz RIAIOYMFGOGPGQ-SNVBAGLBSA-N -1 3 296.277 1.454 10 0 CDAEHM O=C(c1cccc2nn[n-]c21)N1CCO[C@@H](C(F)F)CC1 ZINC000634162227 379106082 /nfs/dbraw/zinc/10/60/82/379106082.db2.gz 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265.309 1.650 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC2(O)CCC(C)CC2)nn1 ZINC000711713438 758807708 /nfs/dbraw/zinc/80/77/08/758807708.db2.gz YEJBAJGXYVXOHF-UHFFFAOYSA-N -1 3 299.396 1.005 10 0 CDAEHM CCOc1c(F)cccc1C(=O)[N-]NC(=O)NC(C)C ZINC000079803698 758828627 /nfs/dbraw/zinc/82/86/27/758828627.db2.gz RQJFXFDFYVAQOZ-UHFFFAOYSA-N -1 3 283.303 1.577 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)c2cc(F)ncc2C)n1 ZINC001631852146 1166306393 /nfs/dbraw/zinc/30/63/93/1166306393.db2.gz LMLOKQRHXRCCLA-UHFFFAOYSA-N -1 3 276.271 1.263 10 0 CDAEHM CCOc1nnc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)[n-]1 ZINC000403746952 1167371705 /nfs/dbraw/zinc/37/17/05/1167371705.db2.gz NZEZZWVRRHMLCG-YIZRAAEISA-N -1 3 250.302 1.578 10 0 CDAEHM CCOc1nc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)n[n-]1 ZINC000403746952 1167371708 /nfs/dbraw/zinc/37/17/08/1167371708.db2.gz NZEZZWVRRHMLCG-YIZRAAEISA-N -1 3 250.302 1.578 10 0 CDAEHM CCOc1n[n-]c(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000403746952 1167371713 /nfs/dbraw/zinc/37/17/13/1167371713.db2.gz 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CDAEHM CN1CCC[C@@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000681041792 482667079 /nfs/dbraw/zinc/66/70/79/482667079.db2.gz QAPKJNZJMIHUNX-SNVBAGLBSA-N -1 3 252.289 1.355 10 0 CDAEHM CO[C@](C)(C(=O)Nc1cc(-c2nccn2C)[n-]n1)C1CC1 ZINC000291965719 198119634 /nfs/dbraw/zinc/11/96/34/198119634.db2.gz RYKPQSOMOADICM-AWEZNQCLSA-N -1 3 289.339 1.564 10 0 CDAEHM CO[C@](C)(C(=O)Nc1cc(-c2nccn2C)n[n-]1)C1CC1 ZINC000291965719 198119636 /nfs/dbraw/zinc/11/96/36/198119636.db2.gz RYKPQSOMOADICM-AWEZNQCLSA-N -1 3 289.339 1.564 10 0 CDAEHM COCCOCCN(C)C(=O)c1cccc([O-])c1 ZINC000291988576 198126513 /nfs/dbraw/zinc/12/65/13/198126513.db2.gz WHRFWFJVAGGKBO-UHFFFAOYSA-N -1 3 253.298 1.127 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1CC ZINC000451832824 363143404 /nfs/dbraw/zinc/14/34/04/363143404.db2.gz YCOLTMPTDRRRJG-MNOVXSKESA-N -1 3 284.381 1.805 10 0 CDAEHM Cc1csc(C[N-]S(=O)(=O)[C@H]2CCO[C@H]2C)n1 ZINC000135505040 187835744 /nfs/dbraw/zinc/83/57/44/187835744.db2.gz VOPOPZICLDZWGJ-IUCAKERBSA-N -1 3 276.383 1.048 10 0 CDAEHM C[C@@H]1CO[C@@H](c2ccccc2)CN1Cc1nc(=O)[n-][nH]1 ZINC000271639640 191252563 /nfs/dbraw/zinc/25/25/63/191252563.db2.gz QXPLAJYHEVPNKL-ZYHUDNBSSA-N -1 3 274.324 1.060 10 0 CDAEHM Cc1cccc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)c1[O-] ZINC000155503351 188211214 /nfs/dbraw/zinc/21/12/14/188211214.db2.gz VQVIMTYHYOFXNW-UHFFFAOYSA-N -1 3 297.376 1.350 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H](C)CO ZINC000158816908 188395285 /nfs/dbraw/zinc/39/52/85/188395285.db2.gz NHVIBERMBCIRFF-HTQZYQBOSA-N -1 3 295.763 1.774 10 0 CDAEHM COc1cccc(C(=O)N2CCC[C@H](CC(N)=O)C2)c1[O-] ZINC000175521292 366116680 /nfs/dbraw/zinc/11/66/80/366116680.db2.gz NGRFBGKXMLXVRJ-SNVBAGLBSA-N -1 3 292.335 1.128 10 0 CDAEHM Cc1cccc(C(=O)N2CC[C@@H](CO)C[C@H]2C)c1[O-] ZINC000629681897 363330993 /nfs/dbraw/zinc/33/09/93/363330993.db2.gz YXLYVMRJZPWBKD-VXGBXAGGSA-N -1 3 263.337 1.934 10 0 CDAEHM O=C(Cn1ccnc1)Nc1ccc([O-])c(Cl)c1 ZINC000129532181 538342889 /nfs/dbraw/zinc/34/28/89/538342889.db2.gz ICVRQJMTLOALIO-UHFFFAOYSA-N -1 3 251.673 1.881 10 0 CDAEHM O=S(=O)(NCC[C@@H]1CCOC1)c1ccc([O-])cc1 ZINC000236597348 140241327 /nfs/dbraw/zinc/24/13/27/140241327.db2.gz PSRKURVBBXWTCH-SNVBAGLBSA-N -1 3 271.338 1.097 10 0 CDAEHM COc1ccc(NC(=O)Cc2ccnn2C)c([O-])c1 ZINC000444413879 538442826 /nfs/dbraw/zinc/44/28/26/538442826.db2.gz OUJCZDDEWFQCMG-UHFFFAOYSA-N -1 3 261.281 1.316 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000628080907 357068976 /nfs/dbraw/zinc/06/89/76/357068976.db2.gz IGRJZFMSLCNHAJ-YABSGUDNSA-N -1 3 263.337 1.790 10 0 CDAEHM Cc1ccc([O-])c(CN(C)CC(=O)N2CCCC2)n1 ZINC000132701095 538795392 /nfs/dbraw/zinc/79/53/92/538795392.db2.gz BONIMESSVLZGMR-UHFFFAOYSA-N -1 3 263.341 1.150 10 0 CDAEHM COC(=O)c1c([O-])c(F)ccc1I ZINC000575714291 357326091 /nfs/dbraw/zinc/32/60/91/357326091.db2.gz PRZCAUTXBSRYEP-UHFFFAOYSA-N -1 3 296.035 1.923 10 0 CDAEHM CCc1nn(C)cc1[N-]S(=O)(=O)N1CCC[C@H]1C ZINC000407960484 357677797 /nfs/dbraw/zinc/67/77/97/357677797.db2.gz YDXWDPFEIYAENO-SECBINFHSA-N -1 3 272.374 1.124 10 0 CDAEHM CC[C@@H]1CCCCN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000407987836 357723311 /nfs/dbraw/zinc/72/33/11/357723311.db2.gz ROLUGJAVVBDGBB-SNVBAGLBSA-N -1 3 278.356 1.653 10 0 CDAEHM COCCN1CCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C[C@H]1C ZINC000192575293 358217955 /nfs/dbraw/zinc/21/79/55/358217955.db2.gz GVBIPGWPLIUUDD-OLZOCXBDSA-N -1 3 294.399 1.204 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](CO)c2ccccc2)n1 ZINC000192723956 358230610 /nfs/dbraw/zinc/23/06/10/358230610.db2.gz KGBAIKFJULKNGO-YPMHNXCESA-N -1 3 273.336 1.875 10 0 CDAEHM Nc1nc2nc(-c3cccc(Cl)c3)[n-]c2c(=O)[nH]1 ZINC000088725652 358381276 /nfs/dbraw/zinc/38/12/76/358381276.db2.gz PMHNHEHJMVYTCN-UHFFFAOYSA-N -1 3 261.672 1.549 10 0 CDAEHM Nc1nc2[n-]c(-c3cccc(Cl)c3)nc2c(=O)[nH]1 ZINC000088725652 358381277 /nfs/dbraw/zinc/38/12/77/358381277.db2.gz PMHNHEHJMVYTCN-UHFFFAOYSA-N -1 3 261.672 1.549 10 0 CDAEHM CCc1cc(=O)[n-]c(CSCc2cncc(OC)n2)n1 ZINC000600620539 358694025 /nfs/dbraw/zinc/69/40/25/358694025.db2.gz CIOULRYOFKXIMY-UHFFFAOYSA-N -1 3 292.364 1.977 10 0 CDAEHM CN(C)CCN1C(=O)c2cccc3c([O-])ccc(c32)C1=O ZINC000028235985 358698905 /nfs/dbraw/zinc/69/89/05/358698905.db2.gz YINJBVMZXWQPHV-UHFFFAOYSA-N -1 3 284.315 1.703 10 0 CDAEHM CCCc1ncc(CNC(=O)c2ccc(O)cc2[O-])o1 ZINC000456496696 363683519 /nfs/dbraw/zinc/68/35/19/363683519.db2.gz GIQFJXBZNOURKX-UHFFFAOYSA-N -1 3 276.292 1.968 10 0 CDAEHM Cc1cc(Br)ccc1Cc1nnn[n-]1 ZINC000408502912 359885345 /nfs/dbraw/zinc/88/53/45/359885345.db2.gz UNDWOVCSOUMABZ-UHFFFAOYSA-N -1 3 253.103 1.861 10 0 CDAEHM Cc1cc(Br)ccc1Cc1nn[n-]n1 ZINC000408502912 359885353 /nfs/dbraw/zinc/88/53/53/359885353.db2.gz UNDWOVCSOUMABZ-UHFFFAOYSA-N -1 3 253.103 1.861 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CCn3ccnc3C2)c1 ZINC000062320450 359967084 /nfs/dbraw/zinc/96/70/84/359967084.db2.gz QHJGPHRXZUWPPW-UHFFFAOYSA-N -1 3 273.292 1.253 10 0 CDAEHM C[C@H]1CCCN(Cc2cnn(CC(F)F)c2)[C@H]1C(=O)[O-] ZINC000424406671 360041367 /nfs/dbraw/zinc/04/13/67/360041367.db2.gz ARPJHBCMIBLSLW-JOYOIKCWSA-N -1 3 287.310 1.833 10 0 CDAEHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)C(C)C)c(F)cc1F ZINC000120630862 360065186 /nfs/dbraw/zinc/06/51/86/360065186.db2.gz BMZIPTSPSCXDDK-LLVKDONJSA-N -1 3 293.335 1.568 10 0 CDAEHM O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)c1c[n-]nn1 ZINC000176639970 189002416 /nfs/dbraw/zinc/00/24/16/189002416.db2.gz KCHVFIAASMHUIK-ZYHUDNBSSA-N -1 3 258.281 1.065 10 0 CDAEHM O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)c1cnn[n-]1 ZINC000176639970 189002417 /nfs/dbraw/zinc/00/24/17/189002417.db2.gz KCHVFIAASMHUIK-ZYHUDNBSSA-N -1 3 258.281 1.065 10 0 CDAEHM O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)c1cn[n-]n1 ZINC000176639970 189002418 /nfs/dbraw/zinc/00/24/18/189002418.db2.gz KCHVFIAASMHUIK-ZYHUDNBSSA-N -1 3 258.281 1.065 10 0 CDAEHM O=S(=O)(CC1CC1)[N-]Cc1noc(-c2cccs2)n1 ZINC000267031600 363716561 /nfs/dbraw/zinc/71/65/61/363716561.db2.gz ALTKGKDBHAXZFQ-UHFFFAOYSA-N -1 3 299.377 1.628 10 0 CDAEHM CCN(C)C(=O)[C@@H](C)NCc1nc(C)ccc1[O-] ZINC000231842436 360488051 /nfs/dbraw/zinc/48/80/51/360488051.db2.gz PKLHLTIPHWAUFC-SNVBAGLBSA-N -1 3 251.330 1.052 10 0 CDAEHM O=C(N[C@@H]1CNCCC1(F)F)c1ccc(F)cc1[O-] ZINC000335652712 360670756 /nfs/dbraw/zinc/67/07/56/360670756.db2.gz ALLUXYXBVNMAIB-SNVBAGLBSA-N -1 3 274.242 1.258 10 0 CDAEHM CCC(CC)(NC(=O)c1cccc([O-])c1)C(=O)OC ZINC000338322772 360844506 /nfs/dbraw/zinc/84/45/06/360844506.db2.gz RMVLEQYMQIAKLN-UHFFFAOYSA-N -1 3 265.309 1.854 10 0 CDAEHM CN(C)c1nc(C(=O)NC[C@H]2CC2(C)C)cc(=O)[n-]1 ZINC000338813785 361055810 /nfs/dbraw/zinc/05/58/10/361055810.db2.gz FSYSHGBCHONUOD-MRVPVSSYSA-N -1 3 264.329 1.024 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2cccc3c[nH]nc32)c[n-]1 ZINC000431731398 361039379 /nfs/dbraw/zinc/03/93/79/361039379.db2.gz YRHMVCFJXMPTRO-UHFFFAOYSA-N -1 3 284.275 1.930 10 0 CDAEHM COC[C@H]([N-]S(=O)(=O)c1cscn1)c1ccccc1 ZINC000584348180 361136612 /nfs/dbraw/zinc/13/66/12/361136612.db2.gz DCOZRTNQKPDHIX-NSHDSACASA-N -1 3 298.389 1.809 10 0 CDAEHM COCc1n[n-]c(=NC[C@H](CC(C)C)N(C)C)s1 ZINC000357024746 366702858 /nfs/dbraw/zinc/70/28/58/366702858.db2.gz FYKXSWILEFDGCI-JTQLQIEISA-N -1 3 272.418 1.495 10 0 CDAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCOC[C@H]2C)s1 ZINC000278046712 366739645 /nfs/dbraw/zinc/73/96/45/366739645.db2.gz XVIRRRSDCAACGI-XCBNKYQSSA-N -1 3 290.410 1.463 10 0 CDAEHM C/C=C/CNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000629035242 361432824 /nfs/dbraw/zinc/43/28/24/361432824.db2.gz DFMIWARWERFXGJ-NHZBNJEXSA-N -1 3 287.319 1.047 10 0 CDAEHM COc1ccc(C(=O)N[C@@H](C)[C@@H](C)CO)c([O-])c1 ZINC000133984452 361484733 /nfs/dbraw/zinc/48/47/33/361484733.db2.gz GGRSGFFXCBUMNN-IUCAKERBSA-N -1 3 253.298 1.148 10 0 CDAEHM C[C@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)C[C@@H]1O ZINC000436701725 361559898 /nfs/dbraw/zinc/55/98/98/361559898.db2.gz ZRMDBYCSVXVMON-BONVTDFDSA-N -1 3 275.348 1.724 10 0 CDAEHM CC(=O)c1ccc(C(=O)N(C)Cc2noc(C)n2)cc1[O-] ZINC000436673938 361555334 /nfs/dbraw/zinc/55/53/34/361555334.db2.gz SYCRNASNZVTHMX-UHFFFAOYSA-N -1 3 289.291 1.558 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000629136497 361607030 /nfs/dbraw/zinc/60/70/30/361607030.db2.gz ARWOAXBZUUDLBY-HZMBPMFUSA-N -1 3 277.320 1.698 10 0 CDAEHM Cc1cnc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c([O-])c1 ZINC000457082841 363898610 /nfs/dbraw/zinc/89/86/10/363898610.db2.gz FFSSBHKKJNYMNE-GFCCVEGCSA-N -1 3 277.368 1.650 10 0 CDAEHM COc1cccc(C(=O)NC[C@H](O)CC(C)(C)C)c1[O-] ZINC000172306941 363995273 /nfs/dbraw/zinc/99/52/73/363995273.db2.gz JMJHOPYXIMUELY-SNVBAGLBSA-N -1 3 281.352 1.928 10 0 CDAEHM CCO[C@H](C(=O)N=c1[nH][n-]cc1Br)C(C)C ZINC000629992389 364384271 /nfs/dbraw/zinc/38/42/71/364384271.db2.gz RDIHDBKTGKNHGO-QMMMGPOBSA-N -1 3 290.161 1.594 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-]CCc2ccccc2O)s1 ZINC000270012921 364422974 /nfs/dbraw/zinc/42/29/74/364422974.db2.gz UUVJQXZAXFDJRC-UHFFFAOYSA-N -1 3 298.389 1.678 10 0 CDAEHM CCN1CCC[C@H](NC(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000186785581 364653516 /nfs/dbraw/zinc/65/35/16/364653516.db2.gz DMZZZIIGNARKGV-JTQLQIEISA-N -1 3 284.306 1.885 10 0 CDAEHM Cc1cnn(CCC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1 ZINC000352981539 364694486 /nfs/dbraw/zinc/69/44/86/364694486.db2.gz GKIRXGJOKAXOCL-GFCCVEGCSA-N -1 3 289.339 1.217 10 0 CDAEHM CC1(C)COC[C@H]1NC(=O)NCc1ncccc1[O-] ZINC000455502339 252395716 /nfs/dbraw/zinc/39/57/16/252395716.db2.gz ZILNSMBTQFBRSO-LLVKDONJSA-N -1 3 265.313 1.011 10 0 CDAEHM CC(=O)c1ccc(C(=O)N[C@H]2CCOC[C@H]2C)cc1[O-] ZINC000412307903 240145648 /nfs/dbraw/zinc/14/56/48/240145648.db2.gz SRAAKLOHYPTLLX-RNCFNFMXSA-N -1 3 277.320 1.750 10 0 CDAEHM CC(=O)c1ccc(C(=O)N[C@@H]2CCOC[C@H]2C)cc1[O-] ZINC000412307902 240145982 /nfs/dbraw/zinc/14/59/82/240145982.db2.gz SRAAKLOHYPTLLX-NOZJJQNGSA-N -1 3 277.320 1.750 10 0 CDAEHM CC(=O)c1ccc(C(=O)N(C)CCCO)cc1[O-] ZINC000412323978 240153788 /nfs/dbraw/zinc/15/37/88/240153788.db2.gz TUOWIEGMYVIIBA-UHFFFAOYSA-N -1 3 251.282 1.049 10 0 CDAEHM Cc1c([C@H](C)NC(=O)NCc2ncccc2[O-])cnn1C ZINC000471650087 364941213 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283.335 1.775 10 0 CDAEHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000910044736 628840847 /nfs/dbraw/zinc/84/08/47/628840847.db2.gz FYESNLVSKWZRDD-GDNZZTSVSA-N -1 3 283.335 1.775 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@@]2(O)CCCC(C)(C)C2)n1 ZINC000911864366 629576329 /nfs/dbraw/zinc/57/63/29/629576329.db2.gz PDODDUKBOKAHIP-OAHLLOKOSA-N -1 3 293.367 1.438 10 0 CDAEHM CC(=O)c1ccccc1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911850518 629588951 /nfs/dbraw/zinc/58/89/51/629588951.db2.gz AIXRESQIUNKMDL-NSHDSACASA-N -1 3 299.330 1.948 10 0 CDAEHM O=C(N1CC[C@H](c2cc(=O)[nH][n-]2)C1)C(F)(F)C(F)F ZINC000911852236 629590666 /nfs/dbraw/zinc/59/06/66/629590666.db2.gz LIUAUPXKBJXCAO-YFKPBYRVSA-N -1 3 281.209 1.332 10 0 CDAEHM Cc1cc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)ccc1O ZINC000911854950 629593396 /nfs/dbraw/zinc/59/33/96/629593396.db2.gz OQJWGFXXPVEIMG-NSHDSACASA-N -1 3 287.319 1.759 10 0 CDAEHM COc1cccc([O-])c1C(=O)NC[C@H](OC)[C@@H]1CCOC1 ZINC000912287738 629894995 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773007745 /nfs/dbraw/zinc/00/77/45/773007745.db2.gz MJURNJLDIQBRQI-LLVKDONJSA-N -1 3 267.354 1.420 10 0 CDAEHM N[C@H](CC1CC1)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000312378670 773021350 /nfs/dbraw/zinc/02/13/50/773021350.db2.gz LZPLOXDPHZHZHP-LOWDOPEQSA-N -1 3 280.368 1.358 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C(C)(C)/C=C/Cl)c1 ZINC000921504627 773038564 /nfs/dbraw/zinc/03/85/64/773038564.db2.gz QQTOEDGTUBNUFQ-AATRIKPKSA-N -1 3 277.777 1.712 10 0 CDAEHM C[C@@H]1C[C@@H](NC(=O)c2nnc3ccccc3c2[O-])[C@H](C)O1 ZINC000870475294 773140542 /nfs/dbraw/zinc/14/05/42/773140542.db2.gz QYKBLGIPVZJTEU-VDDIYKPWSA-N -1 3 287.319 1.631 10 0 CDAEHM CCOC(=O)C(C)(C)O[N-]C(=O)/C(C)=C/c1cccnc1 ZINC000855135713 773141390 /nfs/dbraw/zinc/14/13/90/773141390.db2.gz ULYUYNWQSDHGSK-PKNBQFBNSA-N -1 3 292.335 1.874 10 0 CDAEHM CCC(C)(C)NC(=O)CN1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931321323 773318415 /nfs/dbraw/zinc/31/84/15/773318415.db2.gz ZQAIBQLZSAQXFP-UHFFFAOYSA-N -1 3 278.356 1.111 10 0 CDAEHM 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/nfs/dbraw/zinc/46/70/48/342467048.db2.gz FRVHEPLIHVQZDU-UHFFFAOYSA-N -1 3 299.330 1.511 10 0 CDAEHM O=S(=O)([N-]c1cnn(-c2ccncc2)c1)C1CC1 ZINC000589260492 342502329 /nfs/dbraw/zinc/50/23/29/342502329.db2.gz MGWUPALZUDBJTK-UHFFFAOYSA-N -1 3 264.310 1.171 10 0 CDAEHM CC1=C(C)C[C@H](S(=O)(=O)[O-])[C@H](CNCCF)C1 ZINC000675078969 539085784 /nfs/dbraw/zinc/08/57/84/539085784.db2.gz OKBGUYPMNLTKJF-QWRGUYRKSA-N -1 3 265.350 1.548 10 0 CDAEHM COC(=O)[C@](C)(CCF)NC(=O)c1cccc(C)c1[O-] ZINC000598274787 398191968 /nfs/dbraw/zinc/19/19/68/398191968.db2.gz HUXWHNPRAPKJEV-AWEZNQCLSA-N -1 3 283.299 1.722 10 0 CDAEHM Cc1cc(C(=O)NC[C@@]2(CCO)CCOC2)ccc1[O-] ZINC000354572779 365556335 /nfs/dbraw/zinc/55/63/35/365556335.db2.gz NBWYSKWAHZPGGQ-OAHLLOKOSA-N -1 3 279.336 1.220 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCO2)c(F)c1F ZINC000624786237 342016583 /nfs/dbraw/zinc/01/65/83/342016583.db2.gz HYWKVBWXYVKQKG-SECBINFHSA-N -1 3 291.319 1.731 10 0 CDAEHM CCO[C@H](CS(=O)(=O)[N-]Cc1nccs1)C1CC1 ZINC000624861636 342018994 /nfs/dbraw/zinc/01/89/94/342018994.db2.gz QIDRFQLGRXDQIK-SNVBAGLBSA-N -1 3 290.410 1.378 10 0 CDAEHM CCC[C@@H](N)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000134677962 342071289 /nfs/dbraw/zinc/07/12/89/342071289.db2.gz WLZJVZWKTKJYGB-GFCCVEGCSA-N -1 3 264.325 1.770 10 0 CDAEHM C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cn[nH]c1 ZINC000339741696 361825911 /nfs/dbraw/zinc/82/59/11/361825911.db2.gz SMEFUWBZNNZPPQ-SSDOTTSWSA-N -1 3 299.290 1.176 10 0 CDAEHM COc1cc(C(=O)NCCC2CC(OC)C2)ccc1[O-] ZINC000617031586 342612807 /nfs/dbraw/zinc/61/28/07/342612807.db2.gz IYLGTFODYXXVPX-UHFFFAOYSA-N -1 3 279.336 1.946 10 0 CDAEHM C[C@H]1CN(C(=O)Cc2cncc([O-])c2)C2(CCC2)CO1 ZINC000616548134 342116553 /nfs/dbraw/zinc/11/65/53/342116553.db2.gz JWXPMFUYZYHBJI-NSHDSACASA-N -1 3 276.336 1.500 10 0 CDAEHM Cn1ccnc1NC(=O)c1n[n-]nc1-c1ccccc1 ZINC000622708996 342118386 /nfs/dbraw/zinc/11/83/86/342118386.db2.gz VBDLLJOSSZUDLG-UHFFFAOYSA-N -1 3 268.280 1.458 10 0 CDAEHM O=S(=O)([N-][C@@H]1CCC[C@H](O)C1)c1ccc(F)cc1F ZINC000077103191 342147843 /nfs/dbraw/zinc/14/78/43/342147843.db2.gz GMECRBHHLOULOC-ZJUUUORDSA-N -1 3 291.319 1.547 10 0 CDAEHM COc1cc(=NC(=O)CC2(CSC)CC2)[n-]n1C ZINC000593138553 342773308 /nfs/dbraw/zinc/77/33/08/342773308.db2.gz WDBQOEQVMDSZQT-UHFFFAOYSA-N -1 3 269.370 1.322 10 0 CDAEHM C/C=C\C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000625557467 342187183 /nfs/dbraw/zinc/18/71/83/342187183.db2.gz MFEHXVKGHCIVBQ-IHWYPQMZSA-N -1 3 280.271 1.955 10 0 CDAEHM C[C@](O)(CO)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000338623447 539066941 /nfs/dbraw/zinc/06/69/41/539066941.db2.gz DTYZJWQTQJFPPY-OAHLLOKOSA-N -1 3 275.304 1.019 10 0 CDAEHM O=C(Cc1ccco1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000340681297 539071313 /nfs/dbraw/zinc/07/13/13/539071313.db2.gz RFXCYUPOGLSCLK-UHFFFAOYSA-N -1 3 283.291 1.565 10 0 CDAEHM O=C(Cc1ccco1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000340681297 539071314 /nfs/dbraw/zinc/07/13/14/539071314.db2.gz RFXCYUPOGLSCLK-UHFFFAOYSA-N -1 3 283.291 1.565 10 0 CDAEHM CCN(CCN)C(=O)N=c1ncn(C2CCCCC2)[n-]1 ZINC000625877607 342236700 /nfs/dbraw/zinc/23/67/00/342236700.db2.gz RFPDZUNQDRQJMG-UHFFFAOYSA-N -1 3 280.376 1.018 10 0 CDAEHM CCOC(=O)c1cc(-c2cnn(CCCOC)c2)[n-]n1 ZINC000600791131 342249213 /nfs/dbraw/zinc/24/92/13/342249213.db2.gz CXOHELFGQXKEOL-UHFFFAOYSA-N -1 3 278.312 1.486 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)c1ccccn1)c1nccs1 ZINC000132332219 342261093 /nfs/dbraw/zinc/26/10/93/342261093.db2.gz FVBYXFNYYHQJKX-SECBINFHSA-N -1 3 283.378 1.968 10 0 CDAEHM NC(=O)c1nn[n-]c1NC(=O)c1cccc(C2CCCC2)c1 ZINC000622868369 342263904 /nfs/dbraw/zinc/26/39/04/342263904.db2.gz KBGQPLAYRXZMHH-UHFFFAOYSA-N -1 3 299.334 1.814 10 0 CDAEHM NC(=O)c1[n-]nnc1NC(=O)c1cccc(C2CCCC2)c1 ZINC000622868369 342263905 /nfs/dbraw/zinc/26/39/05/342263905.db2.gz KBGQPLAYRXZMHH-UHFFFAOYSA-N -1 3 299.334 1.814 10 0 CDAEHM NC(=O)c1n[n-]nc1NC(=O)c1cccc(C2CCCC2)c1 ZINC000622868369 342263906 /nfs/dbraw/zinc/26/39/06/342263906.db2.gz KBGQPLAYRXZMHH-UHFFFAOYSA-N -1 3 299.334 1.814 10 0 CDAEHM CC[C@H](NC(=O)c1cc(=O)[n-]cn1)c1c(C)nn(C)c1C ZINC000625886803 342269026 /nfs/dbraw/zinc/26/90/26/342269026.db2.gz KQGVWTSMXYEMOV-JTQLQIEISA-N -1 3 289.339 1.414 10 0 CDAEHM CCOC(=O)C[N-]S(=O)(=O)C[C@H](C)CC(F)(F)F ZINC000594754128 342954811 /nfs/dbraw/zinc/95/48/11/342954811.db2.gz OUMMHQANYXBJKX-SSDOTTSWSA-N -1 3 291.291 1.057 10 0 CDAEHM CCc1ccc(CS(=O)(=O)[N-][C@H](CC)C(=O)OC)cc1 ZINC000274528785 365699987 /nfs/dbraw/zinc/69/99/87/365699987.db2.gz YVAJZUKRYYTLMV-CYBMUJFWSA-N -1 3 299.392 1.620 10 0 CDAEHM N#C[N-]C(=O)c1cc(Cl)ncc1Br ZINC000306690817 362099528 /nfs/dbraw/zinc/09/95/28/362099528.db2.gz NCZPRSRBGXDMHX-UHFFFAOYSA-N -1 3 260.478 1.708 10 0 CDAEHM COc1ccc([O-])c(C(=O)NCCc2ccc[nH]2)c1 ZINC000089351861 342389833 /nfs/dbraw/zinc/38/98/33/342389833.db2.gz KKCCBCXYQPDRSN-UHFFFAOYSA-N -1 3 260.293 1.701 10 0 CDAEHM COC(=O)c1ccc(Cl)c(CN[C@H](C)C(=O)[O-])c1 ZINC000596654087 343372141 /nfs/dbraw/zinc/37/21/41/343372141.db2.gz OYLGLWYPWAUKHX-SSDOTTSWSA-N -1 3 271.700 1.689 10 0 CDAEHM COC(=O)C[C@H](CNC(=O)c1c([O-])cccc1O)C1CC1 ZINC000598773320 343902772 /nfs/dbraw/zinc/90/27/72/343902772.db2.gz OVQSBOIQXDKDLU-SNVBAGLBSA-N -1 3 293.319 1.417 10 0 CDAEHM C/C=C\C[N-]S(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000599475349 344062665 /nfs/dbraw/zinc/06/26/65/344062665.db2.gz NEGHETRJVCSDCN-PLNGDYQASA-N -1 3 273.310 1.229 10 0 CDAEHM O=C(NCc1ncccc1[O-])Nc1cnn(CCF)c1 ZINC000626784569 347037006 /nfs/dbraw/zinc/03/70/06/347037006.db2.gz PFPCNPLSRGIUKK-UHFFFAOYSA-N -1 3 279.275 1.275 10 0 CDAEHM CCc1[n-][nH]c(=NC(=O)c2cncc(CC)c2)c1C ZINC000448168735 362440581 /nfs/dbraw/zinc/44/05/81/362440581.db2.gz HRGLYXJUJAXFCI-UHFFFAOYSA-N -1 3 258.325 1.912 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000635709274 362408658 /nfs/dbraw/zinc/40/86/58/362408658.db2.gz MDCNQBVGGIMDHP-NXEZZACHSA-N -1 3 275.283 1.674 10 0 CDAEHM CCc1cc(C(=O)NC[C@H](OC)[C@H]2CCOC2)ccc1[O-] ZINC000617129459 344860682 /nfs/dbraw/zinc/86/06/82/344860682.db2.gz HROYVZSQYASCOC-ZFWWWQNUSA-N -1 3 293.363 1.736 10 0 CDAEHM CCc1nnc(CNC(=O)c2c(C)cccc2[O-])o1 ZINC000626266198 344876656 /nfs/dbraw/zinc/87/66/56/344876656.db2.gz SNMJSECSCHLGJA-UHFFFAOYSA-N -1 3 261.281 1.576 10 0 CDAEHM COC[C@@H](CCNC(=O)c1cccc(C)c1[O-])OC ZINC000617231451 345040314 /nfs/dbraw/zinc/04/03/14/345040314.db2.gz MLVUCYGCRAFAET-LLVKDONJSA-N -1 3 267.325 1.482 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2nnc(C)o2)o1 ZINC000538012656 282393202 /nfs/dbraw/zinc/39/32/02/282393202.db2.gz GCKUIYNIZWXKIV-ZETCQYMHSA-N -1 3 271.298 1.319 10 0 CDAEHM C[C@]1(C2CC2)CN(C(=O)c2cccc3[n-]nnc32)CCO1 ZINC000617393841 345433415 /nfs/dbraw/zinc/43/34/15/345433415.db2.gz ZNGQUFHIOYDICQ-OAHLLOKOSA-N -1 3 286.335 1.599 10 0 CDAEHM C[C@]1(C2CC2)CN(C(=O)c2cccc3nn[n-]c32)CCO1 ZINC000617393841 345433418 /nfs/dbraw/zinc/43/34/18/345433418.db2.gz ZNGQUFHIOYDICQ-OAHLLOKOSA-N -1 3 286.335 1.599 10 0 CDAEHM C[C@]1(C2CC2)CN(C(=O)c2cccc3n[n-]nc32)CCO1 ZINC000617393841 345433419 /nfs/dbraw/zinc/43/34/19/345433419.db2.gz ZNGQUFHIOYDICQ-OAHLLOKOSA-N -1 3 286.335 1.599 10 0 CDAEHM Cc1cccc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)c1[O-] ZINC000617433172 345532537 /nfs/dbraw/zinc/53/25/37/345532537.db2.gz ORSYVIVGHYKVEX-GXSJLCMTSA-N -1 3 272.308 1.728 10 0 CDAEHM C[C@]1(CCNC(=O)Cc2cncc([O-])c2)CC1(F)F ZINC000618635920 345603289 /nfs/dbraw/zinc/60/32/89/345603289.db2.gz DIXVNHDCPDQFAH-LBPRGKRZSA-N -1 3 270.279 1.881 10 0 CDAEHM C[C@H]1CC([N-]S(=O)(=O)c2c[nH]nc2N)C[C@@H](C)C1 ZINC000084972492 178936485 /nfs/dbraw/zinc/93/64/85/178936485.db2.gz IYDXSESCYFJJRV-JVHMLUBASA-N -1 3 272.374 1.095 10 0 CDAEHM Cc1ccc(C(=O)N[C@H]2Cc3cncn3C2)c([O-])c1 ZINC000623262575 345873517 /nfs/dbraw/zinc/87/35/17/345873517.db2.gz HFULHDXYCPLULL-JTQLQIEISA-N -1 3 257.293 1.252 10 0 CDAEHM CC(C)C[C@H](CN(C)C)NC(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000085339093 179025115 /nfs/dbraw/zinc/02/51/15/179025115.db2.gz NWFWSOWGHXJJJT-AGIUHOORSA-N -1 3 299.415 1.515 10 0 CDAEHM CC(C)C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000085324602 179017875 /nfs/dbraw/zinc/01/78/75/179017875.db2.gz GUHYYSYJPPPHSC-GARJFASQSA-N -1 3 256.346 1.119 10 0 CDAEHM CC(C)C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000085324605 179018035 /nfs/dbraw/zinc/01/80/35/179018035.db2.gz GUHYYSYJPPPHSC-OUAUKWLOSA-N -1 3 256.346 1.119 10 0 CDAEHM CN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC000085334519 179022400 /nfs/dbraw/zinc/02/24/00/179022400.db2.gz MMKUGNHCLMLQKH-VXGBXAGGSA-N -1 3 283.372 1.023 10 0 CDAEHM CN(CC1CCN(C)CC1)C(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000085342668 179027256 /nfs/dbraw/zinc/02/72/56/179027256.db2.gz CNILKVQQTICOAY-STQMWFEESA-N -1 3 297.399 1.223 10 0 CDAEHM C[C@]12COC[C@@H]1CN(C(=O)c1cc(F)cc3[n-]nnc31)C2 ZINC000618706918 346333011 /nfs/dbraw/zinc/33/30/11/346333011.db2.gz QYZQNMKHSOPFQN-RTHLEPHNSA-N -1 3 290.298 1.206 10 0 CDAEHM C[C@]12COC[C@@H]1CN(C(=O)c1cc(F)cc3nn[n-]c31)C2 ZINC000618706918 346333014 /nfs/dbraw/zinc/33/30/14/346333014.db2.gz QYZQNMKHSOPFQN-RTHLEPHNSA-N -1 3 290.298 1.206 10 0 CDAEHM C[C@]12COC[C@@H]1CN(C(=O)c1cc(F)cc3n[n-]nc31)C2 ZINC000618706918 346333016 /nfs/dbraw/zinc/33/30/16/346333016.db2.gz QYZQNMKHSOPFQN-RTHLEPHNSA-N -1 3 290.298 1.206 10 0 CDAEHM CC1CCN(CC[N-]S(=O)(=O)c2cscn2)CC1 ZINC000584466990 346314273 /nfs/dbraw/zinc/31/42/73/346314273.db2.gz SUOAYJLATSYRGE-UHFFFAOYSA-N -1 3 289.426 1.153 10 0 CDAEHM COc1cc(C(=O)N2CCC[C@](CO)(OC)C2)ccc1[O-] ZINC000617801028 346345308 /nfs/dbraw/zinc/34/53/08/346345308.db2.gz FWIYBNYRAHSKNA-HNNXBMFYSA-N -1 3 295.335 1.014 10 0 CDAEHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)[C@H](N)c1ccccc1 ZINC000226848837 346523355 /nfs/dbraw/zinc/52/33/55/346523355.db2.gz PUSMEVGAKCAOOO-OXHZDVMGSA-N -1 3 290.363 1.502 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)N[C@H](c1cccs1)C1CCCC1 ZINC000085812374 179178371 /nfs/dbraw/zinc/17/83/71/179178371.db2.gz OLFMYPCWMYSRBI-MFKMUULPSA-N -1 3 296.392 1.898 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)NC1CCC(c2ccccc2)CC1 ZINC000085812517 179178428 /nfs/dbraw/zinc/17/84/28/179178428.db2.gz 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ZINC000898740110 621858697 /nfs/dbraw/zinc/85/86/97/621858697.db2.gz PETRZJQQRIQLMR-NSHDSACASA-N -1 3 277.368 1.585 10 0 CDAEHM O=C(C[C@@H]1CCC(F)(F)C1)NCCCc1c[n-][nH]c1=O ZINC000898741411 621859021 /nfs/dbraw/zinc/85/90/21/621859021.db2.gz XGVYHKVMOATPRT-UWVGGRQHSA-N -1 3 287.310 1.440 10 0 CDAEHM CC1=CC[C@](C)(C(=O)NCCCc2c[n-][nH]c2=O)CC1 ZINC000898741952 621859839 /nfs/dbraw/zinc/85/98/39/621859839.db2.gz CDOHFLBEGIFALH-DOMZBBRYSA-N -1 3 277.368 1.751 10 0 CDAEHM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000899418413 622235772 /nfs/dbraw/zinc/23/57/72/622235772.db2.gz WLFPCGFSTYDHTF-JBYGLJPXSA-N -1 3 298.342 1.592 10 0 CDAEHM COC[C@@H](NC(=O)c1c(C)cccc1[O-])[C@H]1CCCOC1 ZINC000899651507 622341969 /nfs/dbraw/zinc/34/19/69/622341969.db2.gz QLZGBXRUIIOVOD-QWHCGFSZSA-N -1 3 293.363 1.872 10 0 CDAEHM COc1ccc(CN2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])c(OC)c1 ZINC000902554975 624944305 /nfs/dbraw/zinc/94/43/05/624944305.db2.gz XOVLLEWRKOJYFK-GUTXKFCHSA-N -1 3 291.347 1.856 10 0 CDAEHM CCS(=O)(=O)[N-]c1c(C(=O)OC(C)(C)C)cnn1C ZINC000903169849 625886153 /nfs/dbraw/zinc/88/61/53/625886153.db2.gz RWKFMHSLHIYDJM-UHFFFAOYSA-N -1 3 289.357 1.137 10 0 CDAEHM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000907314624 627606723 /nfs/dbraw/zinc/60/67/23/627606723.db2.gz SWUIMEDJXDBTEB-DTWKUNHWSA-N -1 3 264.281 1.315 10 0 CDAEHM CC(C)N1CCC[C@H]1C(=O)N[C@@](C)(CCF)C(=O)[O-] ZINC000909972046 628787444 /nfs/dbraw/zinc/78/74/44/628787444.db2.gz YJHFJEAZKMQPGD-GWCFXTLKSA-N -1 3 274.336 1.178 10 0 CDAEHM CS/C=C/C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911852717 629591253 /nfs/dbraw/zinc/59/12/53/629591253.db2.gz PEOHZZNQFACNHC-RYEJSQLPSA-N -1 3 253.327 1.308 10 0 CDAEHM CCC[C@H](C)[C@@H](CO)NC(=O)c1c([O-])cccc1OC ZINC000911874040 629600599 /nfs/dbraw/zinc/60/05/99/629600599.db2.gz KCXXYAYASQUDMS-WDEREUQCSA-N -1 3 281.352 1.928 10 0 CDAEHM C[C@]1(NC(=O)c2ccc([O-])c(F)c2)CN2CCC1CC2 ZINC000912380043 629952456 /nfs/dbraw/zinc/95/24/56/629952456.db2.gz 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CCC[C@H](C)[C@H](CO)NC(=O)CCc1c(C)nc[n-]c1=O ZINC001647253837 1168493294 /nfs/dbraw/zinc/49/32/94/1168493294.db2.gz KSCXZGOKBPJGRD-GWCFXTLKSA-N -1 3 295.383 1.337 10 0 CDAEHM O=C(NCCCNC(=O)c1ccccc1[O-])c1ccncc1 ZINC001575643688 1171233348 /nfs/dbraw/zinc/23/33/48/1171233348.db2.gz MNLUPAUAEZDSQG-UHFFFAOYSA-N -1 3 299.330 1.337 10 0 CDAEHM CCOc1nnc(NC(=O)c2n[nH]c3ccccc32)[n-]1 ZINC000228768144 1177915387 /nfs/dbraw/zinc/91/53/87/1177915387.db2.gz ASWGDSXPTOWCOH-UHFFFAOYSA-N -1 3 272.268 1.332 10 0 CDAEHM CCOc1nc(NC(=O)c2n[nH]c3ccccc32)n[n-]1 ZINC000228768144 1177915397 /nfs/dbraw/zinc/91/53/97/1177915397.db2.gz ASWGDSXPTOWCOH-UHFFFAOYSA-N -1 3 272.268 1.332 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2n[nH]c3ccccc32)n1 ZINC000228768144 1177915406 /nfs/dbraw/zinc/91/54/06/1177915406.db2.gz ASWGDSXPTOWCOH-UHFFFAOYSA-N -1 3 272.268 1.332 10 0 CDAEHM CCCn1cc(CN[C@@H]2C[C@H](C(=O)[O-])CC[C@H]2C)nn1 ZINC001771911684 1186949430 /nfs/dbraw/zinc/94/94/30/1186949430.db2.gz VUCWJAHOKOPQNB-NQBHXWOUSA-N -1 3 280.372 1.667 10 0 CDAEHM COc1ccc(C(=O)[O-])c2c1CN(C[C@H](C)CO)CC2 ZINC000872166041 773765494 /nfs/dbraw/zinc/76/54/94/773765494.db2.gz BAPRINQZYAQSRD-JTQLQIEISA-N -1 3 279.336 1.380 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCc3cc(Cl)nnc3C2)n1 ZINC000829163028 773864720 /nfs/dbraw/zinc/86/47/20/773864720.db2.gz QCZSROLPHXJTLK-UHFFFAOYSA-N -1 3 291.742 1.492 10 0 CDAEHM COC(=O)CC1([N-]C(=O)C(F)(F)C(F)F)CCCC1 ZINC000193919000 773870128 /nfs/dbraw/zinc/87/01/28/773870128.db2.gz DIIPQDGLDJKDGN-UHFFFAOYSA-N -1 3 285.237 1.879 10 0 CDAEHM COC/C(C)=C\CN1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC000931748413 773880026 /nfs/dbraw/zinc/88/00/26/773880026.db2.gz LLJQARLAPMNCDK-QCDXTXTGSA-N -1 3 292.383 1.205 10 0 CDAEHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC=C[C@H]1CO ZINC000922278006 774011283 /nfs/dbraw/zinc/01/12/83/774011283.db2.gz FLSQXUMHFJJKHL-JTQLQIEISA-N -1 3 287.237 1.784 10 0 CDAEHM CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000828075931 774020990 /nfs/dbraw/zinc/02/09/90/774020990.db2.gz OAPVUGKJLAUNBI-ONGXEEELSA-N -1 3 275.370 1.663 10 0 CDAEHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)[C@H]1CCCOCC1 ZINC000837690256 774024550 /nfs/dbraw/zinc/02/45/50/774024550.db2.gz GGVGBCUOUVOMSK-NSHDSACASA-N -1 3 292.335 1.920 10 0 CDAEHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@H](CO)C1 ZINC000281600155 774173986 /nfs/dbraw/zinc/17/39/86/774173986.db2.gz OKAZYIXJUMBJSJ-LLVKDONJSA-N -1 3 271.316 2.000 10 0 CDAEHM NC(=O)CO[N-]C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000825253655 774174552 /nfs/dbraw/zinc/17/45/52/774174552.db2.gz JFQDOOUNKBKNHW-UHFFFAOYSA-N -1 3 275.308 1.575 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)C(C)(F)F)nn1 ZINC000867786281 774319741 /nfs/dbraw/zinc/31/97/41/774319741.db2.gz PSZICGYRJXJTDM-UHFFFAOYSA-N -1 3 293.339 1.745 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C2([C@H]3CCCCO3)CC2)nn1 ZINC000922099522 774409074 /nfs/dbraw/zinc/40/90/74/774409074.db2.gz QHIBYFCWADGAKR-LLVKDONJSA-N -1 3 297.380 1.165 10 0 CDAEHM CCCC[C@](C)(CO)[N-]C(=O)C(F)(F)C(F)F ZINC000844016740 774466441 /nfs/dbraw/zinc/46/64/41/774466441.db2.gz AFEXGFPQHPLBGT-SECBINFHSA-N -1 3 259.243 1.944 10 0 CDAEHM COc1cccc([O-])c1C(=O)N1CC[C@@H](C(C)(C)O)C1 ZINC000721885738 774705963 /nfs/dbraw/zinc/70/59/63/774705963.db2.gz GLEWALCPODGPLY-SNVBAGLBSA-N -1 3 279.336 1.634 10 0 CDAEHM Cc1cc(=O)[n-]c(CN[C@H]([C@H]2CCOC2)C(F)(F)F)n1 ZINC000933011549 774806350 /nfs/dbraw/zinc/80/63/50/774806350.db2.gz OXOMQNHPOUUKSF-GZMMTYOYSA-N -1 3 291.273 1.548 10 0 CDAEHM CC(F)(F)C(=O)[N-]C[C@@H](n1cccn1)C(F)(F)F ZINC000862407263 774818577 /nfs/dbraw/zinc/81/85/77/774818577.db2.gz WNZKEESGESTFHF-ZCFIWIBFSA-N -1 3 271.189 1.758 10 0 CDAEHM CC(C)Oc1ccnc(COC(=O)c2cnn[n-]2)c1 ZINC000845166642 774854062 /nfs/dbraw/zinc/85/40/62/774854062.db2.gz PKXPJZNHMGMCML-UHFFFAOYSA-N -1 3 262.269 1.344 10 0 CDAEHM CC(C)Oc1ccnc(COC(=O)c2c[n-]nn2)c1 ZINC000845166642 774854064 /nfs/dbraw/zinc/85/40/64/774854064.db2.gz PKXPJZNHMGMCML-UHFFFAOYSA-N -1 3 262.269 1.344 10 0 CDAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@]1(C)CC1(C)C ZINC000851833589 775017961 /nfs/dbraw/zinc/01/79/61/775017961.db2.gz ICNGYAKIGKTUSV-LLVKDONJSA-N -1 3 291.804 1.849 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C(C)(C2CC2)C2CC2)nn1 ZINC000867530131 775036570 /nfs/dbraw/zinc/03/65/70/775036570.db2.gz TVHVXDVVYOUJPE-UHFFFAOYSA-N -1 3 281.381 1.642 10 0 CDAEHM CCOC(=O)[C@H](COC)NC(=O)c1c(C)cccc1[O-] ZINC000928298541 775271344 /nfs/dbraw/zinc/27/13/44/775271344.db2.gz YLDDIDPXMIRFNX-JTQLQIEISA-N -1 3 281.308 1.009 10 0 CDAEHM Cc1nc2c(c(=O)[n-]1)CN(C[C@@H](O)CC1CCCC1)C2 ZINC000931313769 775343151 /nfs/dbraw/zinc/34/31/51/775343151.db2.gz PEWRIGUCNWBSQG-LBPRGKRZSA-N -1 3 277.368 1.747 10 0 CDAEHM CCOc1nnc(NC(=O)[C@@H]2CCCC(F)(F)C2)[n-]1 ZINC000381017109 775375189 /nfs/dbraw/zinc/37/51/89/775375189.db2.gz FYXKUEVQQGOTLN-SSDOTTSWSA-N -1 3 274.271 1.967 10 0 CDAEHM CCOc1nc(NC(=O)[C@@H]2CCCC(F)(F)C2)n[n-]1 ZINC000381017109 775375201 /nfs/dbraw/zinc/37/52/01/775375201.db2.gz FYXKUEVQQGOTLN-SSDOTTSWSA-N -1 3 274.271 1.967 10 0 CDAEHM CCOc1n[n-]c(NC(=O)[C@@H]2CCCC(F)(F)C2)n1 ZINC000381017109 775375213 /nfs/dbraw/zinc/37/52/13/775375213.db2.gz FYXKUEVQQGOTLN-SSDOTTSWSA-N -1 3 274.271 1.967 10 0 CDAEHM CSCCCC[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000866813510 775387748 /nfs/dbraw/zinc/38/77/48/775387748.db2.gz PXUXPCCAHBPFNC-UHFFFAOYSA-N -1 3 275.399 1.207 10 0 CDAEHM CCCCCCO[C@H](C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001627152334 1165980406 /nfs/dbraw/zinc/98/04/06/1165980406.db2.gz FEOZYOWQTBUOKH-OLZOCXBDSA-N -1 3 297.399 1.600 10 0 CDAEHM O=S(=O)([N-]CC[C@H]1CCSC1)c1cccnc1F ZINC000704872901 775393126 /nfs/dbraw/zinc/39/31/26/775393126.db2.gz HVXKKLZQIZCDDB-VIFPVBQESA-N -1 3 290.385 1.642 10 0 CDAEHM CCc1nnc([C@H](C)N2Cc3nc(C)[n-]c(=O)c3C2)[nH]1 ZINC000931310927 775968237 /nfs/dbraw/zinc/96/82/37/775968237.db2.gz CKRFKDLCLJIAER-ZETCQYMHSA-N -1 3 274.328 1.248 10 0 CDAEHM C[C@H](CN1CCN(C)CC1)C(=O)c1ccc([O-])cc1 ZINC000929233346 776250511 /nfs/dbraw/zinc/25/05/11/776250511.db2.gz FNFSJIABEHUNQB-GFCCVEGCSA-N -1 3 262.353 1.458 10 0 CDAEHM Clc1ccc2c(c1)C[C@@H](N=c1ncnc3[nH][n-]cc1-3)C2 ZINC000799966343 776650381 /nfs/dbraw/zinc/65/03/81/776650381.db2.gz FTJFYAAKTALBHL-NSHDSACASA-N -1 3 285.738 1.959 10 0 CDAEHM CC(=O)[C@@H](C)CCCCC(=O)[N-]O[C@@H](CO)C(C)C ZINC000836889976 776654880 /nfs/dbraw/zinc/65/48/80/776654880.db2.gz FNCSFJXONCWAMZ-AAEUAGOBSA-N -1 3 273.373 1.837 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2cnccc2C)nn1 ZINC000867047474 776831870 /nfs/dbraw/zinc/83/18/70/776831870.db2.gz QJOBJVHQCISJFS-NSHDSACASA-N -1 3 292.364 1.528 10 0 CDAEHM CCOc1nnc(NC(=O)CC[C@@H]2CCCCO2)[n-]1 ZINC000228772925 777181537 /nfs/dbraw/zinc/18/15/37/777181537.db2.gz RNUVGLBZWIMHMA-VIFPVBQESA-N -1 3 268.317 1.491 10 0 CDAEHM CCOc1nc(NC(=O)CC[C@@H]2CCCCO2)n[n-]1 ZINC000228772925 777181541 /nfs/dbraw/zinc/18/15/41/777181541.db2.gz RNUVGLBZWIMHMA-VIFPVBQESA-N -1 3 268.317 1.491 10 0 CDAEHM CCOc1n[n-]c(NC(=O)CC[C@@H]2CCCCO2)n1 ZINC000228772925 777181545 /nfs/dbraw/zinc/18/15/45/777181545.db2.gz RNUVGLBZWIMHMA-VIFPVBQESA-N -1 3 268.317 1.491 10 0 CDAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC1=CCCC1 ZINC000851826132 777189526 /nfs/dbraw/zinc/18/95/26/777189526.db2.gz CGTUZZSJQHEGSC-UHFFFAOYSA-N -1 3 289.788 1.771 10 0 CDAEHM O=C(N[C@H]1CO[C@H](C2CC2)C1)c1nnc2ccccc2c1[O-] ZINC000863289049 777274029 /nfs/dbraw/zinc/27/40/29/777274029.db2.gz WJFOVCBGQDTURI-MFKMUULPSA-N -1 3 299.330 1.633 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]CC1CCCCCC1 ZINC000867350567 777352273 /nfs/dbraw/zinc/35/22/73/777352273.db2.gz JHAFOCHDACSXIB-KRWDZBQOSA-N -1 3 296.458 1.909 10 0 CDAEHM CC(C)OC[C@@H](O)COC(=O)Cc1ccc([O-])c(F)c1 ZINC000838141514 777380852 /nfs/dbraw/zinc/38/08/52/777380852.db2.gz GXQXJJSKDLSINO-LLVKDONJSA-N -1 3 286.299 1.403 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)[C@@H]2CC2(C)C)[n-]n1 ZINC000781430703 777440480 /nfs/dbraw/zinc/44/04/80/777440480.db2.gz CWJFWRMVLBIESW-ZETCQYMHSA-N -1 3 251.286 1.571 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)[C@@H]2CC2(C)C)n[n-]1 ZINC000781430703 777440484 /nfs/dbraw/zinc/44/04/84/777440484.db2.gz 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/nfs/dbraw/zinc/15/83/85/778158385.db2.gz AWESLPHRHPCDBW-UHFFFAOYSA-N -1 3 268.357 1.483 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)C2CCC2)nn1 ZINC000867352531 778186418 /nfs/dbraw/zinc/18/64/18/778186418.db2.gz OZPCFXRQXOEFNZ-UHFFFAOYSA-N -1 3 269.370 1.642 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)CC)[C@@H]1CC1(C)C ZINC000867416226 778274577 /nfs/dbraw/zinc/27/45/77/778274577.db2.gz VVVNEYHIFAUMEO-FJHFEUQMSA-N -1 3 296.458 1.763 10 0 CDAEHM C[C@H](NC(=O)c1nnc2ccccc2c1[O-])[C@@H]1CCCO1 ZINC000109944287 778324504 /nfs/dbraw/zinc/32/45/04/778324504.db2.gz UXYWOMOFWVHSNE-CABZTGNLSA-N -1 3 287.319 1.220 10 0 CDAEHM COc1nn(C)cc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000789324585 778383749 /nfs/dbraw/zinc/38/37/49/778383749.db2.gz CVHQHGKBESOPCH-SECBINFHSA-N -1 3 270.289 1.008 10 0 CDAEHM Cc1ccc(C(=O)NC2CC(CC(N)=O)C2)c([O-])c1 ZINC000718547008 778556668 /nfs/dbraw/zinc/55/66/68/778556668.db2.gz BWWJJBCMWDMJPU-UHFFFAOYSA-N -1 3 262.309 1.084 10 0 CDAEHM Cc1nc(C(F)(F)F)c(COC(=O)c2cnn[n-]2)s1 ZINC000805607252 778584668 /nfs/dbraw/zinc/58/46/68/778584668.db2.gz ICFCCCFXFQKKBB-UHFFFAOYSA-N -1 3 292.242 1.945 10 0 CDAEHM Cc1nc(C(F)(F)F)c(COC(=O)c2c[n-]nn2)s1 ZINC000805607252 778584685 /nfs/dbraw/zinc/58/46/85/778584685.db2.gz ICFCCCFXFQKKBB-UHFFFAOYSA-N -1 3 292.242 1.945 10 0 CDAEHM CCN(CCC(N)=O)C(=O)c1cc([O-])ccc1Cl ZINC000928821966 778691634 /nfs/dbraw/zinc/69/16/34/778691634.db2.gz JHMSQAHDYZHZOJ-UHFFFAOYSA-N -1 3 270.716 1.383 10 0 CDAEHM CCc1n[n-]c(Cl)c1C(=O)NO[C@@H]1CCCCO1 ZINC000858986150 778799484 /nfs/dbraw/zinc/79/94/84/778799484.db2.gz DIJUPJBHGFKNFL-MRVPVSSYSA-N -1 3 273.720 1.814 10 0 CDAEHM CCc1[n-]nc(Cl)c1C(=O)NO[C@@H]1CCCCO1 ZINC000858986150 778799512 /nfs/dbraw/zinc/79/95/12/778799512.db2.gz DIJUPJBHGFKNFL-MRVPVSSYSA-N -1 3 273.720 1.814 10 0 CDAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000785345634 778834820 /nfs/dbraw/zinc/83/48/20/778834820.db2.gz VURXWYRVRPESSH-AYMMMOKOSA-N -1 3 289.788 1.459 10 0 CDAEHM C[C@H](CN1CCC[C@@H]1C(N)=O)C(=O)c1ccc([O-])cc1 ZINC000930651342 778838506 /nfs/dbraw/zinc/83/85/06/778838506.db2.gz ZSVNSECYDIEZGT-ZWNOBZJWSA-N -1 3 276.336 1.161 10 0 CDAEHM Cc1cccc(CN/C=C2/C(=O)[N-]C(=O)c3ccccc32)n1 ZINC000127524889 779143323 /nfs/dbraw/zinc/14/33/23/779143323.db2.gz MGJWCHYBQPLNGU-XNTDXEJSSA-N -1 3 293.326 1.791 10 0 CDAEHM O=C(Nc1cnccc1CO)c1cc2c(cc1[O-])OCO2 ZINC000436869912 779248903 /nfs/dbraw/zinc/24/89/03/779248903.db2.gz FSDVLIZJADNNAI-UHFFFAOYSA-N -1 3 288.259 1.261 10 0 CDAEHM CCCCn1[n-]c(=O)c2cc(OC)c(OC)cc2c1=O ZINC000871940356 779259678 /nfs/dbraw/zinc/25/96/78/779259678.db2.gz RWDBNVYKFTYOAH-UHFFFAOYSA-N -1 3 278.308 1.919 10 0 CDAEHM O=c1[n-]c(CNc2ccncc2Cl)nc2c1COCC2 ZINC000866289744 779364796 /nfs/dbraw/zinc/36/47/96/779364796.db2.gz JKOZINONWSDUPK-UHFFFAOYSA-N -1 3 292.726 1.337 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC[C@H]1CCCS1 ZINC000867661517 779506724 /nfs/dbraw/zinc/50/67/24/779506724.db2.gz DYMGORBLCHZMGF-SNVBAGLBSA-N -1 3 290.410 1.855 10 0 CDAEHM COC[C@@H](CO)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000356142983 779519391 /nfs/dbraw/zinc/51/93/91/779519391.db2.gz TYUMREYOWNLTSM-GFCCVEGCSA-N -1 3 275.304 1.283 10 0 CDAEHM Cc1noc([C@@H]2CCCN2Cc2nc(C)cc(=O)[n-]2)n1 ZINC000796692520 779922733 /nfs/dbraw/zinc/92/27/33/779922733.db2.gz GEEUSUJOYCZLDW-JTQLQIEISA-N -1 3 275.312 1.519 10 0 CDAEHM COc1cccc([O-])c1C(=O)NCC[C@@H](O)C(F)F ZINC000717411768 779933663 /nfs/dbraw/zinc/93/36/63/779933663.db2.gz HAMSVRYCMOORPG-MRVPVSSYSA-N -1 3 275.251 1.147 10 0 CDAEHM O=C([O-])c1ccc(CNCCOC2CCCC2)nc1 ZINC000094761033 779945968 /nfs/dbraw/zinc/94/59/68/779945968.db2.gz XALGKZYSBNGDEK-UHFFFAOYSA-N -1 3 264.325 1.829 10 0 CDAEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccccn1)C2 ZINC001630893498 1166241367 /nfs/dbraw/zinc/24/13/67/1166241367.db2.gz SUESAUUXFSITLR-UHFFFAOYSA-N -1 3 256.265 1.042 10 0 CDAEHM COCC(C)=CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001641246059 1167089162 /nfs/dbraw/zinc/08/91/62/1167089162.db2.gz FPNUQODRBZBIIF-VMPITWQZSA-N -1 3 261.281 1.800 10 0 CDAEHM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCN(C)C2)c1 ZINC001567049890 1168044368 /nfs/dbraw/zinc/04/43/68/1168044368.db2.gz STFQHKLJAUHVCZ-NSHDSACASA-N -1 3 262.309 1.485 10 0 CDAEHM O=C(NC1CC2(CC2(F)F)C1)c1cccc2n[n-]nc21 ZINC001647303416 1168540646 /nfs/dbraw/zinc/54/06/46/1168540646.db2.gz WASCHQRNMHWCTH-UHFFFAOYSA-N -1 3 278.262 1.876 10 0 CDAEHM CC(=O)c1ccc(C(=O)N[C@@H](CO)C(F)(F)F)cc1[O-] ZINC001365119355 912746556 /nfs/dbraw/zinc/74/65/56/912746556.db2.gz STLFGQRKEVXIIT-JTQLQIEISA-N -1 3 291.225 1.248 10 0 CDAEHM CC[C@@H](F)CN(C)CCNC(=O)c1ncccc1[O-] ZINC001567277696 1168652916 /nfs/dbraw/zinc/65/29/16/1168652916.db2.gz LCBHOQDXESPJDW-SNVBAGLBSA-N -1 3 269.320 1.197 10 0 CDAEHM COc1c(C)cnc(CN[C@]2(CC(=O)[O-])CCOC2)c1C ZINC001647409209 1168655392 /nfs/dbraw/zinc/65/53/92/1168655392.db2.gz CYYWPXKREUXJQA-HNNXBMFYSA-N -1 3 294.351 1.430 10 0 CDAEHM O=C([O-])c1ccc(CN2CCC3(CC2)COCCO3)o1 ZINC001647412125 1168660153 /nfs/dbraw/zinc/66/01/53/1168660153.db2.gz QPXBQGLLWIEVPT-UHFFFAOYSA-N 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1.050 10 0 CDAEHM O=C(CCc1ccncc1)[N-]OCc1ccccn1 ZINC001141946304 936957205 /nfs/dbraw/zinc/95/72/05/936957205.db2.gz JJOUQOSSGLRCRV-UHFFFAOYSA-N -1 3 257.293 1.657 10 0 CDAEHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cccnc2F)C1 ZINC000401820884 936993646 /nfs/dbraw/zinc/99/36/46/936993646.db2.gz DIGZDGNWVHGVIK-NXEZZACHSA-N -1 3 272.345 1.935 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCCC[C@@]23CCOC3)n1 ZINC001198768505 925521874 /nfs/dbraw/zinc/52/18/74/925521874.db2.gz ICCLAXPAALTFED-AWEZNQCLSA-N -1 3 263.341 1.636 10 0 CDAEHM COc1ccc(C(=O)N2Cc3c[nH]nc3[C@@H](C)C2)c([O-])c1 ZINC000824634014 925831056 /nfs/dbraw/zinc/83/10/56/925831056.db2.gz GWJXOBCGADIRKU-VIFPVBQESA-N -1 3 287.319 1.883 10 0 CDAEHM O=C(c1ccc(F)s1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000826602423 925908342 /nfs/dbraw/zinc/90/83/42/925908342.db2.gz MBGXGEYYTDKPFE-SSDOTTSWSA-N -1 3 281.312 1.946 10 0 CDAEHM COCCCO[N-]C(=O)c1c(Cl)nn(C)c1Cl ZINC000861695364 929324895 /nfs/dbraw/zinc/32/48/95/929324895.db2.gz QFUGBDBZYIESJP-UHFFFAOYSA-N -1 3 282.127 1.425 10 0 CDAEHM CCn1nncc1C[N-]C(=O)C(F)(F)c1ccccc1F ZINC000862361567 929404678 /nfs/dbraw/zinc/40/46/78/929404678.db2.gz CAPOYQPGMUIYFL-UHFFFAOYSA-N -1 3 298.268 1.845 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1ccsc1 ZINC001144520088 931872147 /nfs/dbraw/zinc/87/21/47/931872147.db2.gz XZMTWRUYBMMASR-UHFFFAOYSA-N -1 3 267.335 1.462 10 0 CDAEHM Cc1cc(O)ccc1CC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC001411851509 932075526 /nfs/dbraw/zinc/07/55/26/932075526.db2.gz QJQIMZNEDBXLOW-UHFFFAOYSA-N -1 3 289.291 1.391 10 0 CDAEHM CCOc1nnc(NC(=O)c2cc3c(cn2)OCCC3)[n-]1 ZINC001412470287 932442638 /nfs/dbraw/zinc/44/26/38/932442638.db2.gz HGWBKABVCSOSRE-UHFFFAOYSA-N -1 3 289.295 1.176 10 0 CDAEHM CCOc1nc(NC(=O)c2cc3c(cn2)OCCC3)n[n-]1 ZINC001412470287 932442644 /nfs/dbraw/zinc/44/26/44/932442644.db2.gz HGWBKABVCSOSRE-UHFFFAOYSA-N -1 3 289.295 1.176 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2cc3c(cn2)OCCC3)n1 ZINC001412470287 932442650 /nfs/dbraw/zinc/44/26/50/932442650.db2.gz HGWBKABVCSOSRE-UHFFFAOYSA-N -1 3 289.295 1.176 10 0 CDAEHM CCc1cc(=O)[n-]c(CN(C)Cc2cc(OC)ns2)n1 ZINC001413061718 935690260 /nfs/dbraw/zinc/69/02/60/935690260.db2.gz FLBBRPVKBOYKNN-UHFFFAOYSA-N -1 3 294.380 1.842 10 0 CDAEHM CC(=CC(=O)NCc1nc(C)cc(=O)[n-]1)c1ccco1 ZINC001164369943 939465916 /nfs/dbraw/zinc/46/59/16/939465916.db2.gz RIICDTGUHURHAX-TWGQIWQCSA-N -1 3 273.292 1.803 10 0 CDAEHM CCC(C)(C)C[N-]S(=O)(=O)c1cccnc1F ZINC000401793172 940880099 /nfs/dbraw/zinc/88/00/99/940880099.db2.gz OUGCNFPNTZMBEI-UHFFFAOYSA-N -1 3 260.334 1.935 10 0 CDAEHM CC(C)OCCCC[N-]S(=O)(=O)c1cccnc1F ZINC000401868006 940884402 /nfs/dbraw/zinc/88/44/02/940884402.db2.gz WKMZHESVDZDUHV-UHFFFAOYSA-N -1 3 290.360 1.704 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1CCCC[C@H]1O)c1cccnc1F ZINC000401948572 940885845 /nfs/dbraw/zinc/88/58/45/940885845.db2.gz KORXAQKMBIBGDT-VHSXEESVSA-N -1 3 288.344 1.050 10 0 CDAEHM FC(F)(F)c1coc(CN2CC[C@@H](c3nnn[n-]3)C2)c1 ZINC001473753132 970843946 /nfs/dbraw/zinc/84/39/46/970843946.db2.gz QINYKBUCMPOBTP-SSDOTTSWSA-N -1 3 287.245 1.801 10 0 CDAEHM FC(F)(F)c1coc(CN2CC[C@@H](c3nn[n-]n3)C2)c1 ZINC001473753132 970843957 /nfs/dbraw/zinc/84/39/57/970843957.db2.gz QINYKBUCMPOBTP-SSDOTTSWSA-N -1 3 287.245 1.801 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCc1ccccc1F ZINC001362076211 970853237 /nfs/dbraw/zinc/85/32/37/970853237.db2.gz CORYRBUTPVOZQA-GFCCVEGCSA-N -1 3 291.326 1.387 10 0 CDAEHM COc1c(F)nccc1C(=O)[N-]c1nnc(C)s1 ZINC001524540314 970870139 /nfs/dbraw/zinc/87/01/39/970870139.db2.gz MBVVVZBBKMSYKR-UHFFFAOYSA-N -1 3 268.273 1.642 10 0 CDAEHM Cn1nnc(C(=O)[N-]c2nc(-c3ccccc3F)co2)n1 ZINC001525052787 970923949 /nfs/dbraw/zinc/92/39/49/970923949.db2.gz GJCVYXRIIXMKAF-UHFFFAOYSA-N -1 3 288.242 1.257 10 0 CDAEHM O=C(NCCCNC(=O)C1CC=CC1)c1ccccc1[O-] ZINC001283185447 942849439 /nfs/dbraw/zinc/84/94/39/942849439.db2.gz IINVWICWYRYYML-UHFFFAOYSA-N -1 3 288.347 1.595 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)C=Cc1ccc(C)nc1 ZINC001525801903 970990053 /nfs/dbraw/zinc/99/00/53/970990053.db2.gz BFXOLXUWWIFFIZ-AATRIKPKSA-N -1 3 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10 0 CDAEHM O=C([O-])CN1CC[C@@H](N(C2CC2)C2CCCC2)C1=O ZINC000662204607 414561582 /nfs/dbraw/zinc/56/15/82/414561582.db2.gz VLXFPJWKXKNAJT-GFCCVEGCSA-N -1 3 266.341 1.079 10 0 CDAEHM O=C([O-])CN1CC[C@H](N2CCCC3(CCCC3)CC2)C1=O ZINC000662217183 414570095 /nfs/dbraw/zinc/57/00/95/414570095.db2.gz PQRNYIANCLNGAK-ZDUSSCGKSA-N -1 3 294.395 1.718 10 0 CDAEHM CC[C@@H](C)N[C@]1(C(=O)[O-])COc2cc(O)ccc21 ZINC000038065910 174077211 /nfs/dbraw/zinc/07/72/11/174077211.db2.gz IRXYJJMMGMWWRX-AMIZOPFISA-N -1 3 251.282 1.453 10 0 CDAEHM CC[C@@](C)(NC(=O)c1cc(C)ccc1[O-])C(N)=S ZINC000040357892 174245892 /nfs/dbraw/zinc/24/58/92/174245892.db2.gz LXPXUNANJPORJP-CYBMUJFWSA-N -1 3 266.366 1.885 10 0 CDAEHM CCCC[C@@H](N)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000040470790 174279282 /nfs/dbraw/zinc/27/92/82/174279282.db2.gz IJXGEIKGIIBSNC-VXGBXAGGSA-N -1 3 264.325 1.446 10 0 CDAEHM CC(C)(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000040471128 174279727 /nfs/dbraw/zinc/27/97/27/174279727.db2.gz 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CC(C)[C@@H](NC(=O)NC[C@H](C)N1CCCCC1)C(=O)[O-] ZINC000045013230 175290646 /nfs/dbraw/zinc/29/06/46/175290646.db2.gz HKDDUIVFUOTPIA-NWDGAFQWSA-N -1 3 285.388 1.269 10 0 CDAEHM C[C@H](CNC(=O)NCc1cccc(C(=O)[O-])c1)N(C)C ZINC000045112124 175310540 /nfs/dbraw/zinc/31/05/40/175310540.db2.gz HPXIXFLDMGZBLO-SNVBAGLBSA-N -1 3 279.340 1.134 10 0 CDAEHM CCN(CC(F)(F)F)C[C@](N)(C(=O)[O-])c1ccccc1 ZINC000045274009 175344403 /nfs/dbraw/zinc/34/44/03/175344403.db2.gz SZWHCOIROXMEQP-GFCCVEGCSA-N -1 3 290.285 1.809 10 0 CDAEHM CCc1nc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C)c[nH]1 ZINC000070422801 175920099 /nfs/dbraw/zinc/92/00/99/175920099.db2.gz SHEZYLWGJYJAGB-BDAKNGLRSA-N -1 3 257.359 1.439 10 0 CDAEHM COc1cc(=NC(=O)N[C@H]2CCC(C)(C)C2)[n-]n1C ZINC000547839219 289815577 /nfs/dbraw/zinc/81/55/77/289815577.db2.gz QOGQBZUXPVDNDY-VIFPVBQESA-N -1 3 266.345 1.551 10 0 CDAEHM C[C@H](CNC(=O)c1cccc([O-])c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655243035 424044745 /nfs/dbraw/zinc/04/47/45/424044745.db2.gz MZWYFJVZQKMPQI-UPJWGTAASA-N -1 3 292.379 1.620 10 0 CDAEHM CCOC(=O)c1csc(=NC[C@]2(C)CCOC2)[n-]1 ZINC000397391584 270349927 /nfs/dbraw/zinc/34/99/27/270349927.db2.gz QUURRJGKCGPHCQ-LBPRGKRZSA-N -1 3 270.354 1.580 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000529986601 271087203 /nfs/dbraw/zinc/08/72/03/271087203.db2.gz YGGULQCGUVUAEF-SREGZZRCSA-N -1 3 274.324 1.500 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000529986601 271087206 /nfs/dbraw/zinc/08/72/06/271087206.db2.gz YGGULQCGUVUAEF-SREGZZRCSA-N -1 3 274.324 1.500 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000529986601 271087209 /nfs/dbraw/zinc/08/72/09/271087209.db2.gz YGGULQCGUVUAEF-SREGZZRCSA-N -1 3 274.324 1.500 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000530075677 271099267 /nfs/dbraw/zinc/09/92/67/271099267.db2.gz KBUSAXOORLDCLH-LBPRGKRZSA-N -1 3 285.303 1.865 10 0 CDAEHM CCC[C@]1(COC)CCCN1Cc1cnc(C(=O)[O-])cn1 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CCn1cnc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000545201988 289667543 /nfs/dbraw/zinc/66/75/43/289667543.db2.gz ZCJNENGACWUZRB-VXGBXAGGSA-N -1 3 299.396 1.139 10 0 CDAEHM CCC[C@H](CC)NC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000547515236 289783386 /nfs/dbraw/zinc/78/33/86/289783386.db2.gz MLVDYSJPRYCMLF-VIFPVBQESA-N -1 3 254.334 1.551 10 0 CDAEHM COc1cc(=NC(=O)NCc2ccc(C)cc2C)[n-]n1C ZINC000547845574 289816216 /nfs/dbraw/zinc/81/62/16/289816216.db2.gz YIAUCAQBRLQSKI-UHFFFAOYSA-N -1 3 288.351 1.789 10 0 CDAEHM COc1cc(=NC(=O)N2CCS[C@H](C)[C@H]2C)[n-]n1C ZINC000548166191 289853241 /nfs/dbraw/zinc/85/32/41/289853241.db2.gz UWMQPFSFNVWVPC-RKDXNWHRSA-N -1 3 284.385 1.208 10 0 CDAEHM COc1cc(=NC(=O)c2cnc(C)nc2C(C)C)[n-]n1C ZINC000548472389 289891825 /nfs/dbraw/zinc/89/18/25/289891825.db2.gz JWOZWDFCJRZADH-UHFFFAOYSA-N -1 3 289.339 1.325 10 0 CDAEHM COc1cc(=NC(=O)N2CCCC[C@H](SC)C2)[n-]n1C ZINC000548495274 289895319 /nfs/dbraw/zinc/89/53/19/289895319.db2.gz GURPRJJOODXUDR-JTQLQIEISA-N -1 3 298.412 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CC[C@H](C(=O)[O-])N(C)Cc1c(C)nn(C)c1OC ZINC000158706295 482572108 /nfs/dbraw/zinc/57/21/08/482572108.db2.gz IEGMAHYGNUCVAF-SNVBAGLBSA-N -1 3 255.318 1.032 10 0 CDAEHM Cn1cnc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCC3)O2)c1 ZINC000655674570 482579278 /nfs/dbraw/zinc/57/92/78/482579278.db2.gz WCOBWLYPZZDVPO-LLVKDONJSA-N -1 3 299.396 1.190 10 0 CDAEHM O=C(NC1(CCO)CCOCC1)c1cccc([O-])c1 ZINC000680936631 482630065 /nfs/dbraw/zinc/63/00/65/482630065.db2.gz YQWZWNFNRPVKEW-UHFFFAOYSA-N -1 3 265.309 1.054 10 0 CDAEHM O=C(N[C@H](CO)c1ccsc1)c1c([O-])cccc1O ZINC000673082056 482682360 /nfs/dbraw/zinc/68/23/60/482682360.db2.gz JLZSWBKUJCZFIZ-SECBINFHSA-N -1 3 279.317 1.623 10 0 CDAEHM CCc1cccc(C(=O)N2CC(F)(F)C[C@@H]2CO)c1[O-] ZINC000673227316 482714777 /nfs/dbraw/zinc/71/47/77/482714777.db2.gz XSLHDWRLRNLUIH-SNVBAGLBSA-N -1 3 285.290 1.797 10 0 CDAEHM CN1CCC[C@@H](C(=O)Nc2ccc([O-])cc2F)C1=O ZINC000334574619 482741239 /nfs/dbraw/zinc/74/12/39/482741239.db2.gz FOSCHVAVTIWXAX-VIFPVBQESA-N -1 3 266.272 1.338 10 0 CDAEHM C[C@@H]1C[C@@H]1CN=c1cc(NC[C@@H]2C[C@@H]2C)n2[n-]cnc2n1 ZINC000684570400 482887049 /nfs/dbraw/zinc/88/70/49/482887049.db2.gz RLUQSTILJRZOEZ-KXNHARMFSA-N -1 3 286.383 1.682 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)CC2CC2)o1 ZINC000678618661 483133494 /nfs/dbraw/zinc/13/34/94/483133494.db2.gz LOYMDSFBDKRSBQ-JTQLQIEISA-N -1 3 259.327 1.027 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N[C@H]2CCc3cncn3C2)c1 ZINC000672157391 483311874 /nfs/dbraw/zinc/31/18/74/483311874.db2.gz CNTZSFGFNXHUIR-LBPRGKRZSA-N -1 3 285.347 1.896 10 0 CDAEHM CN(C)c1nc(C(=O)N2CC[C@H]2c2ccccc2)cc(=O)[n-]1 ZINC000683404877 483511190 /nfs/dbraw/zinc/51/11/90/483511190.db2.gz YCVGFBLIXIYKIU-ZDUSSCGKSA-N -1 3 298.346 1.835 10 0 CDAEHM CSc1nnc(NC(=O)CCC(C)(C)C(C)=O)[n-]1 ZINC000676525081 483516119 /nfs/dbraw/zinc/51/61/19/483516119.db2.gz MDVYQONDCWBYTI-UHFFFAOYSA-N -1 3 270.358 1.861 10 0 CDAEHM CSc1n[n-]c(NC(=O)CCC(C)(C)C(C)=O)n1 ZINC000676525081 483516124 /nfs/dbraw/zinc/51/61/24/483516124.db2.gz MDVYQONDCWBYTI-UHFFFAOYSA-N 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ZINC000069510425 522632719 /nfs/dbraw/zinc/63/27/19/522632719.db2.gz WYKNLRLMBNCOES-LRDDRELGSA-N -1 3 293.363 1.770 10 0 CDAEHM COC(=O)CCCCCNC(=O)c1cc(OC)ccc1[O-] ZINC000035220593 522994020 /nfs/dbraw/zinc/99/40/20/522994020.db2.gz RLILOAYXADPIPU-UHFFFAOYSA-N -1 3 295.335 1.864 10 0 CDAEHM CCn1c(=O)[n-]nc1SCc1cccnc1NC ZINC000061608226 523092931 /nfs/dbraw/zinc/09/29/31/523092931.db2.gz YKJZEOGKSHILCQ-UHFFFAOYSA-N -1 3 265.342 1.320 10 0 CDAEHM Cc1cc(C(=O)[O-])ccc1N1CCN(CCN(C)C)CC1 ZINC000061645128 524192399 /nfs/dbraw/zinc/19/23/99/524192399.db2.gz DJIVRAUEMNVQOX-UHFFFAOYSA-N -1 3 291.395 1.377 10 0 CDAEHM C[C@H](CN1CCCC1)n1cnnc1SCC(=O)[O-] ZINC000049184664 524320910 /nfs/dbraw/zinc/32/09/10/524320910.db2.gz CKZMDSBTPKYNCS-SECBINFHSA-N -1 3 270.358 1.112 10 0 CDAEHM C[C@H](CN1CCCC1)Nc1nccnc1C(=O)[O-] ZINC000054531573 524322220 /nfs/dbraw/zinc/32/22/20/524322220.db2.gz IAMBHAXRMNRJRJ-SECBINFHSA-N -1 3 250.302 1.071 10 0 CDAEHM Cc1c(Cl)cccc1NC(=O)c1nnc(N)[n-]1 ZINC000055164013 525779104 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/nfs/dbraw/zinc/20/11/27/527201127.db2.gz ISVLOEOYPFIWCN-CQSZACIVSA-N -1 3 290.363 1.585 10 0 CDAEHM Nc1ccc(C(=O)[O-])c(N[C@H]2CN3CCC2CC3)c1 ZINC000069512874 527473312 /nfs/dbraw/zinc/47/33/12/527473312.db2.gz XYAFNEKCYIISNJ-ZDUSSCGKSA-N -1 3 261.325 1.473 10 0 CDAEHM Nc1n[n-]c(-c2nc(-c3ccc(F)c(Cl)c3)no2)n1 ZINC000062790880 527541659 /nfs/dbraw/zinc/54/16/59/527541659.db2.gz JPWOARBZLMLLBF-UHFFFAOYSA-N -1 3 280.650 1.896 10 0 CDAEHM Nc1nnc(-c2nc(-c3ccc(F)c(Cl)c3)no2)[n-]1 ZINC000062790880 527541664 /nfs/dbraw/zinc/54/16/64/527541664.db2.gz JPWOARBZLMLLBF-UHFFFAOYSA-N -1 3 280.650 1.896 10 0 CDAEHM Nc1nc(-c2nc(-c3ccc(F)c(Cl)c3)no2)n[n-]1 ZINC000062790880 527541670 /nfs/dbraw/zinc/54/16/70/527541670.db2.gz JPWOARBZLMLLBF-UHFFFAOYSA-N -1 3 280.650 1.896 10 0 CDAEHM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCCN1 ZINC000050927185 527594689 /nfs/dbraw/zinc/59/46/89/527594689.db2.gz JSDYMBICTWVAPL-RYUDHWBXSA-N -1 3 268.357 1.374 10 0 CDAEHM O=C([O-])C[C@@H](c1ccccc1)N1CCN(C2CC2)CC1 ZINC000062756123 527627512 /nfs/dbraw/zinc/62/75/12/527627512.db2.gz SEOVBZUYXVCRLP-HNNXBMFYSA-N -1 3 274.364 1.982 10 0 CDAEHM CCC[C@@H]1C[C@@H](C(=O)Nc2nnc(OC)[n-]2)CCO1 ZINC000182972446 535450201 /nfs/dbraw/zinc/45/02/01/535450201.db2.gz CXWCBUMEKJOMCN-DTWKUNHWSA-N -1 3 268.317 1.347 10 0 CDAEHM CCC[C@@H]1C[C@@H](C(=O)Nc2n[n-]c(OC)n2)CCO1 ZINC000182972446 535450204 /nfs/dbraw/zinc/45/02/04/535450204.db2.gz CXWCBUMEKJOMCN-DTWKUNHWSA-N -1 3 268.317 1.347 10 0 CDAEHM CCC[C@@H]1C[C@@H](C(=O)Nc2nc(OC)n[n-]2)CCO1 ZINC000182972446 535450207 /nfs/dbraw/zinc/45/02/07/535450207.db2.gz CXWCBUMEKJOMCN-DTWKUNHWSA-N -1 3 268.317 1.347 10 0 CDAEHM COC(=O)c1cc(C(=O)[N-]c2ccc(Cl)cn2)no1 ZINC000439259578 536877031 /nfs/dbraw/zinc/87/70/31/536877031.db2.gz PUQQKQRILMMXIH-UHFFFAOYSA-N -1 3 281.655 1.762 10 0 CDAEHM O=C(Nc1c[nH]nc1Cl)c1ccc2n[n-]nc2c1 ZINC000774221187 575189878 /nfs/dbraw/zinc/18/98/78/575189878.db2.gz ZROKHEKLZYCZOO-UHFFFAOYSA-N -1 3 262.660 1.587 10 0 CDAEHM 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RHNLTPISOOBAPY-NSHDSACASA-N -1 3 266.316 1.698 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CC[C@H](c3nccs3)C2)n1 ZINC000880320844 780217223 /nfs/dbraw/zinc/21/72/23/780217223.db2.gz ZVJNLIRKZPVJMP-JTQLQIEISA-N -1 3 276.365 1.937 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CC[C@](CO)(c3ccccc3)C2)n1 ZINC000812883909 780547388 /nfs/dbraw/zinc/54/73/88/780547388.db2.gz YSKPFVTUABMCNF-KRWDZBQOSA-N -1 3 299.374 1.627 10 0 CDAEHM CCO[C@@]1(C)C[C@H]1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000862863389 780821187 /nfs/dbraw/zinc/82/11/87/780821187.db2.gz FXULFZYLHDFQIA-OCCSQVGLSA-N -1 3 279.292 1.418 10 0 CDAEHM CC(=O)c1ccc(C(=O)N[C@H]2CCn3ccnc32)cc1[O-] ZINC000839780547 780860487 /nfs/dbraw/zinc/86/04/87/780860487.db2.gz BHPRGEJLOFMMIV-LBPRGKRZSA-N -1 3 285.303 1.666 10 0 CDAEHM CCC[C@H](C)[C@H](CO)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000846361083 780866940 /nfs/dbraw/zinc/86/69/40/780866940.db2.gz OFOJUNASVCUCSY-ONGXEEELSA-N -1 3 295.335 1.648 10 0 CDAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H](C)CC1CCC1 ZINC000867674429 781332713 /nfs/dbraw/zinc/33/27/13/781332713.db2.gz SEUIVTGFXMMPCS-JDNHERCYSA-N -1 3 282.431 1.517 10 0 CDAEHM CCOC(=O)[C@@H]1CC[C@H](C(=O)Nc2ncccc2[O-])C1 ZINC000867341920 781793170 /nfs/dbraw/zinc/79/31/70/781793170.db2.gz LOZDQLMKVXYGDE-VHSXEESVSA-N -1 3 278.308 1.705 10 0 CDAEHM COC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OCc1ccccc1OC ZINC000822680905 781848607 /nfs/dbraw/zinc/84/86/07/781848607.db2.gz WHPBPWAOJDRNDJ-NWDGAFQWSA-N -1 3 293.319 1.442 10 0 CDAEHM CCOc1nc(NC(=O)CC[C@@H]2CCCO2)n[n-]1 ZINC000228788388 781890948 /nfs/dbraw/zinc/89/09/48/781890948.db2.gz MDTHMPINXQIXEG-QMMMGPOBSA-N -1 3 254.290 1.101 10 0 CDAEHM CCOc1nnc(NC(=O)CC[C@@H]2CCCO2)[n-]1 ZINC000228788388 781890945 /nfs/dbraw/zinc/89/09/45/781890945.db2.gz MDTHMPINXQIXEG-QMMMGPOBSA-N -1 3 254.290 1.101 10 0 CDAEHM CCOc1n[n-]c(NC(=O)CC[C@@H]2CCCO2)n1 ZINC000228788388 781890954 /nfs/dbraw/zinc/89/09/54/781890954.db2.gz MDTHMPINXQIXEG-QMMMGPOBSA-N -1 3 254.290 1.101 10 0 CDAEHM CCOc1nnc(NC(=O)c2cccc(F)c2C)[n-]1 ZINC000399614263 783320567 /nfs/dbraw/zinc/32/05/67/783320567.db2.gz DFMNCDGZMRXNIU-UHFFFAOYSA-N -1 3 264.260 1.903 10 0 CDAEHM CCOc1nc(NC(=O)c2cccc(F)c2C)n[n-]1 ZINC000399614263 783320577 /nfs/dbraw/zinc/32/05/77/783320577.db2.gz DFMNCDGZMRXNIU-UHFFFAOYSA-N -1 3 264.260 1.903 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2cccc(F)c2C)n1 ZINC000399614263 783320588 /nfs/dbraw/zinc/32/05/88/783320588.db2.gz DFMNCDGZMRXNIU-UHFFFAOYSA-N -1 3 264.260 1.903 10 0 CDAEHM O=C(NCc1ncccc1[O-])OCCC(F)(F)F ZINC000867212031 783484819 /nfs/dbraw/zinc/48/48/19/783484819.db2.gz ZNHQBRGJRNMPEC-UHFFFAOYSA-N -1 3 264.203 1.966 10 0 CDAEHM COc1c(C)cccc1CN=c1ncnc2[nH][n-]cc1-2 ZINC001640095173 1166994940 /nfs/dbraw/zinc/99/49/40/1166994940.db2.gz QYRQHBMUYBZYTE-UHFFFAOYSA-N -1 3 269.308 1.656 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)c2c(F)ccc(F)c2F)n1 ZINC001644282775 1167304793 /nfs/dbraw/zinc/30/47/93/1167304793.db2.gz OSZNVGXIDYEMNB-UHFFFAOYSA-N -1 3 297.236 1.838 10 0 CDAEHM O=C(COCC(F)F)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC001647318306 1168556515 /nfs/dbraw/zinc/55/65/15/1168556515.db2.gz WFNSJSSLXXZHEI-UHFFFAOYSA-N -1 3 288.250 1.385 10 0 CDAEHM COCCCC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783029124 899173951 /nfs/dbraw/zinc/17/39/51/899173951.db2.gz PWGJBJDPTJFHST-UHFFFAOYSA-N -1 3 292.291 1.912 10 0 CDAEHM COC(=O)/C=C/[C@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC001353321117 899425954 /nfs/dbraw/zinc/42/59/54/899425954.db2.gz OMSRWBKOGKUKEB-STUBTGCMSA-N -1 3 263.293 1.548 10 0 CDAEHM Cn1ncc(NC(=O)c2cc(F)cc3n[n-]nc32)c1Cl ZINC001168364443 909588896 /nfs/dbraw/zinc/58/88/96/909588896.db2.gz HXMPVCCQOZCHQG-UHFFFAOYSA-N -1 3 294.677 1.736 10 0 CDAEHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cscn1 ZINC000229206277 912088014 /nfs/dbraw/zinc/08/80/14/912088014.db2.gz MQXYPNUAUOFQPJ-IEBDPFPHSA-N -1 3 252.339 1.828 10 0 CDAEHM CO[C@H]1COCC[C@H]1CC(=O)[N-]OC1CCCCC1 ZINC000829052938 936400802 /nfs/dbraw/zinc/40/08/02/936400802.db2.gz OYYZGXOSEXUMQG-AAEUAGOBSA-N -1 3 271.357 1.809 10 0 CDAEHM O=C(c1cccn2nccc12)N1CCc2c(=O)[n-]cnc2C1 ZINC001138216006 936494155 /nfs/dbraw/zinc/49/41/55/936494155.db2.gz FYGKCPSBCHZONB-UHFFFAOYSA-N -1 3 295.302 1.028 10 0 CDAEHM COc1cc(CC(=O)[N-]OC2CCCC2)ccn1 ZINC000831701745 936529158 /nfs/dbraw/zinc/52/91/58/936529158.db2.gz FKTWEXNIWDMMFK-UHFFFAOYSA-N -1 3 250.298 1.623 10 0 CDAEHM C/C(=C/C(=O)[N-]OCc1cccc(C)n1)c1cnccn1 ZINC001168634427 919777721 /nfs/dbraw/zinc/77/77/21/919777721.db2.gz OETIWYCPUCDGPL-FLIBITNWSA-N -1 3 284.319 1.831 10 0 CDAEHM O=C(c1ccc([O-])cc1F)N1CC[C@@H](N2CCC2)C1 ZINC000702300687 922513153 /nfs/dbraw/zinc/51/31/53/922513153.db2.gz NDSUENPCVZKJES-SNVBAGLBSA-N -1 3 264.300 1.452 10 0 CDAEHM CCC(F)(F)C(=O)[N-][C@H](C(=O)OC)c1cccc(O)c1 ZINC000831355016 922982082 /nfs/dbraw/zinc/98/20/82/922982082.db2.gz GXZKMAYFKDNBDO-JTQLQIEISA-N -1 3 287.262 1.768 10 0 CDAEHM O=Cc1c[nH]c(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)c1 ZINC001141843836 936946936 /nfs/dbraw/zinc/94/69/36/936946936.db2.gz XVIWREBVOMVDGE-UHFFFAOYSA-N -1 3 296.290 1.183 10 0 CDAEHM O=Cc1c[nH]c(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)c1 ZINC001141843836 936946937 /nfs/dbraw/zinc/94/69/37/936946937.db2.gz XVIWREBVOMVDGE-UHFFFAOYSA-N -1 3 296.290 1.183 10 0 CDAEHM O=C([O-])[C@@H]1CC=C[C@@H](NCc2ccnn2CC2CC2)C1 ZINC001119611801 925432130 /nfs/dbraw/zinc/43/21/30/925432130.db2.gz LTEQDELRJBTBFT-CHWSQXEVSA-N -1 3 275.352 1.802 10 0 CDAEHM O=C(CCOCC(F)F)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000825687140 925880977 /nfs/dbraw/zinc/88/09/77/925880977.db2.gz KKWFPEOEUMOQBF-QMMMGPOBSA-N -1 3 289.282 1.103 10 0 CDAEHM O=C(c1ccnc(F)c1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000826632308 925909403 /nfs/dbraw/zinc/90/94/03/925909403.db2.gz KDJTYCQOZMPAER-SECBINFHSA-N -1 3 276.271 1.279 10 0 CDAEHM COc1nc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)co1 ZINC001142790411 937068824 /nfs/dbraw/zinc/06/88/24/937068824.db2.gz FWWGTBMPVRFODJ-UHFFFAOYSA-N -1 3 286.251 1.116 10 0 CDAEHM COc1nc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)co1 ZINC001142790411 937068827 /nfs/dbraw/zinc/06/88/27/937068827.db2.gz FWWGTBMPVRFODJ-UHFFFAOYSA-N -1 3 286.251 1.116 10 0 CDAEHM COC1([C@@H](C)[N-]S(=O)(=O)c2ccc(C)nn2)CCC1 ZINC000867405161 926408228 /nfs/dbraw/zinc/40/82/28/926408228.db2.gz GYBUZKICJPBZJF-SNVBAGLBSA-N -1 3 285.369 1.021 10 0 CDAEHM CO[C@H](CS(=O)(=O)[N-]c1cccnc1F)C1CC1 ZINC000842823493 937083173 /nfs/dbraw/zinc/08/31/73/937083173.db2.gz ANYHNXAYZFXTIX-SNVBAGLBSA-N -1 3 274.317 1.387 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC23OCCO3)o1 ZINC000851814776 927638364 /nfs/dbraw/zinc/63/83/64/927638364.db2.gz CAQFLWUVSZKGCH-SNVBAGLBSA-N -1 3 287.337 1.162 10 0 CDAEHM Cc1nc(C)c(CC(=O)N2CC3CC2(C)C3)c(=O)[n-]1 ZINC000856510330 928610171 /nfs/dbraw/zinc/61/01/71/928610171.db2.gz QADRGAWVQKVXDR-UHFFFAOYSA-N -1 3 261.325 1.352 10 0 CDAEHM C[C@]1(C[N-]S(=O)(=O)c2c[nH]nc2Cl)C[C@H]2C[C@H]2C1 ZINC000859359417 929005948 /nfs/dbraw/zinc/00/59/48/929005948.db2.gz UOJUPMRAGJTMIG-VROVMSAKSA-N -1 3 289.788 1.778 10 0 CDAEHM O=C(CC1CCC(C(F)(F)F)CC1)[N-]OCCO ZINC000787285545 929347012 /nfs/dbraw/zinc/34/70/12/929347012.db2.gz QBKSWSPBVMNYLW-UHFFFAOYSA-N -1 3 269.263 1.785 10 0 CDAEHM O=C(NC[C@H]1COCO1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000861977724 929363900 /nfs/dbraw/zinc/36/39/00/929363900.db2.gz RSQUYTAWHFDAOR-JTQLQIEISA-N -1 3 291.225 1.514 10 0 CDAEHM CC(=O)c1cccc(NC(=O)[C@H]2CSC(=O)N2)c1[O-] ZINC000843886049 931511910 /nfs/dbraw/zinc/51/19/10/931511910.db2.gz LJJUZOZCOPQZLH-SECBINFHSA-N -1 3 280.305 1.358 10 0 CDAEHM CCc1ccc(C(=O)NCC(=O)N(CC)OC)c([O-])c1 ZINC000844065586 931539254 /nfs/dbraw/zinc/53/92/54/931539254.db2.gz HCVAPQKFNVZPPN-UHFFFAOYSA-N -1 3 280.324 1.094 10 0 CDAEHM CCO[N-]C(=O)CNc1ccnc2ccc(C)cc21 ZINC000845713660 931884927 /nfs/dbraw/zinc/88/49/27/931884927.db2.gz NJIFDXAIJYRSCK-UHFFFAOYSA-N -1 3 259.309 1.445 10 0 CDAEHM CCO[C@H](C(=O)NCCc1c(C)[n-][nH]c1=O)C1CCCC1 ZINC001411774548 932011245 /nfs/dbraw/zinc/01/12/45/932011245.db2.gz JNBVYSQSGSOYEN-OLZOCXBDSA-N -1 3 295.383 1.210 10 0 CDAEHM Cc1noc(C)c1C[C@@H](C)NC(=O)c1cnncc1[O-] ZINC001411798374 932034778 /nfs/dbraw/zinc/03/47/78/932034778.db2.gz HPJAJDPUSLUIFY-SSDOTTSWSA-N -1 3 276.296 1.148 10 0 CDAEHM C[C@@H](NC(=O)c1cnncc1[O-])c1nc2ccccc2n1C ZINC001147785296 932606469 /nfs/dbraw/zinc/60/64/69/932606469.db2.gz ZJZGQRHLRXASGS-SECBINFHSA-N -1 3 297.318 1.560 10 0 CDAEHM CC(C)C[C@@H](NCc1cn(C2CCC2)nn1)C(=O)[O-] ZINC001118437292 937627466 /nfs/dbraw/zinc/62/74/66/937627466.db2.gz BHHGGIWDCXPGJZ-GFCCVEGCSA-N -1 3 266.345 1.592 10 0 CDAEHM CCS(=O)(CC)=NC(=O)c1c[n-]nc1[C@@H]1CCCO1 ZINC000925866560 932948527 /nfs/dbraw/zinc/94/85/27/932948527.db2.gz MLYSFWABCUJOJQ-JTQLQIEISA-N -1 3 285.369 1.909 10 0 CDAEHM Cn1nccc1[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000928372602 933137407 /nfs/dbraw/zinc/13/74/07/933137407.db2.gz WCLHDCKOWIWDTF-ZDUSSCGKSA-N -1 3 287.319 1.809 10 0 CDAEHM Cc1n[n-]c(S(=O)(=O)Cc2ccc(C)c(Cl)n2)n1 ZINC001118920850 937677936 /nfs/dbraw/zinc/67/79/36/937677936.db2.gz WRJWQHHJUKOBIC-UHFFFAOYSA-N -1 3 286.744 1.444 10 0 CDAEHM Cc1nnc(S(=O)(=O)Cc2ccc(C)c(Cl)n2)[n-]1 ZINC001118920850 937677938 /nfs/dbraw/zinc/67/79/38/937677938.db2.gz WRJWQHHJUKOBIC-UHFFFAOYSA-N -1 3 286.744 1.444 10 0 CDAEHM Cc1nc(S(=O)(=O)Cc2ccc(C)c(Cl)n2)n[n-]1 ZINC001118920850 937677940 /nfs/dbraw/zinc/67/79/40/937677940.db2.gz WRJWQHHJUKOBIC-UHFFFAOYSA-N -1 3 286.744 1.444 10 0 CDAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001119584091 937735303 /nfs/dbraw/zinc/73/53/03/937735303.db2.gz FJNKYJIOFOZSSA-YTWAJWBKSA-N -1 3 299.321 1.296 10 0 CDAEHM C[C@@H]1CC(O)C[C@@H](C)N1CC(=O)[N-]OCc1ccccc1 ZINC000191136359 934551438 /nfs/dbraw/zinc/55/14/38/934551438.db2.gz COHIXWDAZDMFNV-CHWSQXEVSA-N -1 3 292.379 1.468 10 0 CDAEHM COc1ccccc1CN1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721239249 935361627 /nfs/dbraw/zinc/36/16/27/935361627.db2.gz RZFRLWCOYXHWHZ-SCRDCRAPSA-N -1 3 261.321 1.848 10 0 CDAEHM Cn1cc(CCN2Cc3nc(C4CC4)[n-]c(=O)c3C2)cn1 ZINC001413056954 935523745 /nfs/dbraw/zinc/52/37/45/935523745.db2.gz ICHLWRVOEZPKRT-UHFFFAOYSA-N -1 3 285.351 1.351 10 0 CDAEHM CCc1ncc(CNC(=O)c2cc3c(cc2[O-])OCO3)o1 ZINC000456485622 935955066 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CCc1cc(=O)[n-]c(CN(C)Cc2ncccn2)n1 ZINC001654633070 1171626294 /nfs/dbraw/zinc/62/62/94/1171626294.db2.gz IKCCKEMHVUKFNB-UHFFFAOYSA-N -1 3 259.313 1.167 10 0 CDAEHM CC(C)(C)OCCNC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000589692921 342511962 /nfs/dbraw/zinc/51/19/62/342511962.db2.gz JWQYKYMGSVAGQM-UHFFFAOYSA-N -1 3 294.351 1.053 10 0 CDAEHM COc1ccc(C(=O)NCC[C@@H]2CCCO2)c([O-])c1 ZINC000044317311 398143486 /nfs/dbraw/zinc/14/34/86/398143486.db2.gz NGSAPYIXKKHTBT-JTQLQIEISA-N -1 3 265.309 1.700 10 0 CDAEHM Cc1cc(Cl)ccc1NC(=O)[C@H](N)CC(=O)[O-] ZINC000082566848 178096426 /nfs/dbraw/zinc/09/64/26/178096426.db2.gz MIAZGMASUPMLLG-MRVPVSSYSA-N -1 3 256.689 1.389 10 0 CDAEHM CC(C)=CCn1cc(Br)c(=O)[n-]c1=O ZINC000082604975 178125480 /nfs/dbraw/zinc/12/54/80/178125480.db2.gz KGXMNNFQBRNZOE-UHFFFAOYSA-N -1 3 259.103 1.265 10 0 CDAEHM C[C@]12COC[C@H]1CN(C(=O)c1ccc3n[n-]nc3c1)C2 ZINC000618727840 349517870 /nfs/dbraw/zinc/51/78/70/349517870.db2.gz YFSKHMWSLNLKMY-YGRLFVJLSA-N -1 3 272.308 1.066 10 0 CDAEHM CCOc1cccc(CN(CC(=O)[O-])CC2CC2)n1 ZINC000650797709 398209843 /nfs/dbraw/zinc/20/98/43/398209843.db2.gz BELVNIKMSNHVFC-UHFFFAOYSA-N -1 3 264.325 1.777 10 0 CDAEHM CC[C@@H](CCO)[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625010884 342026789 /nfs/dbraw/zinc/02/67/89/342026789.db2.gz YKCFEHCDLAZQJX-VIFPVBQESA-N -1 3 293.335 1.713 10 0 CDAEHM CO[C@H](CSc1nc2c(cnn2C)c(=O)[n-]1)C1CC1 ZINC000629221539 361748357 /nfs/dbraw/zinc/74/83/57/361748357.db2.gz UJGIOBAVCDACMH-SECBINFHSA-N -1 3 280.353 1.586 10 0 CDAEHM O=S(=O)([N-][C@@H](CO)c1ccsc1)c1cccs1 ZINC000351577875 361772135 /nfs/dbraw/zinc/77/21/35/361772135.db2.gz VKOBBVHTJSFOLE-VIFPVBQESA-N -1 3 289.403 1.822 10 0 CDAEHM COC(=O)c1c(N)ccc(I)c1[O-] ZINC000575640901 361814827 /nfs/dbraw/zinc/81/48/27/361814827.db2.gz ZMBHHJIJJPBKRD-UHFFFAOYSA-N -1 3 293.060 1.366 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C/C=C\CO)c(F)c1F ZINC000625273931 342074071 /nfs/dbraw/zinc/07/40/71/342074071.db2.gz BQUYWNYDLFPNIO-IHWYPQMZSA-N -1 3 277.292 1.100 10 0 CDAEHM CSc1ccc([O-])c(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)c1 ZINC000616533696 342114902 /nfs/dbraw/zinc/11/49/02/342114902.db2.gz GCQBJHJTTCHFFV-OCAPTIKFSA-N -1 3 280.349 1.108 10 0 CDAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCCC[C@H]1C1CCC1 ZINC000616504910 342112889 /nfs/dbraw/zinc/11/28/89/342112889.db2.gz CCZMONBGGUOERC-NEPJUHHUSA-N -1 3 293.367 1.156 10 0 CDAEHM CN(CC1CN(C)C1)C(=O)c1c(F)ccc([O-])c1F ZINC000618190433 342131519 /nfs/dbraw/zinc/13/15/19/342131519.db2.gz SBMROXZFZRRIKW-UHFFFAOYSA-N -1 3 270.279 1.304 10 0 CDAEHM CC[C@H](C(=O)N1CCC[C@@H](c2nnn[n-]2)C1)N(CC)CC ZINC000533572793 282135666 /nfs/dbraw/zinc/13/56/66/282135666.db2.gz CPLNHWZEMWOHCB-VXGBXAGGSA-N -1 3 294.403 1.026 10 0 CDAEHM CC[C@H](C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)N(CC)CC ZINC000533572793 282135669 /nfs/dbraw/zinc/13/56/69/282135669.db2.gz CPLNHWZEMWOHCB-VXGBXAGGSA-N -1 3 294.403 1.026 10 0 CDAEHM C[C@H]1CN(CCO)CCN1Cc1cc([O-])ccc1Cl ZINC000625464597 342171713 /nfs/dbraw/zinc/17/17/13/342171713.db2.gz UMQPJGQMOMOFAV-NSHDSACASA-N 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/nfs/dbraw/zinc/62/54/10/349625410.db2.gz TWBAUIDURURFGQ-ZIAGYGMSSA-N -1 3 298.342 1.561 10 0 CDAEHM CCc1ccc(C(=O)N[C@H](CCF)C(=O)OC)c([O-])c1 ZINC000593824376 342842024 /nfs/dbraw/zinc/84/20/24/342842024.db2.gz XDEUSRVIMRWWKA-LLVKDONJSA-N -1 3 283.299 1.586 10 0 CDAEHM CSCC(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000588862764 342223310 /nfs/dbraw/zinc/22/33/10/342223310.db2.gz SQDFJPXXLGKONR-IUCAKERBSA-N -1 3 297.380 1.230 10 0 CDAEHM CSC[C@@H]1CCCN1Cc1cnc(C(=O)[O-])cn1 ZINC000600672347 342240986 /nfs/dbraw/zinc/24/09/86/342240986.db2.gz GWXHBCBLOLDIMS-JTQLQIEISA-N -1 3 267.354 1.502 10 0 CDAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCCC[C@@H]1CC1CCC1 ZINC000620570770 342232889 /nfs/dbraw/zinc/23/28/89/342232889.db2.gz AGEYUQOLZQSPLM-GFCCVEGCSA-N -1 3 293.367 1.110 10 0 CDAEHM CNC(=O)c1nn[n-]c1NC(=O)[C@H]1CCCC2(CC2)C1 ZINC000622883326 342265487 /nfs/dbraw/zinc/26/54/87/342265487.db2.gz TZRXDQAPPADMNN-QMMMGPOBSA-N -1 3 277.328 1.073 10 0 CDAEHM CNC(=O)c1[n-]nnc1NC(=O)[C@H]1CCCC2(CC2)C1 ZINC000622883326 342265488 /nfs/dbraw/zinc/26/54/88/342265488.db2.gz TZRXDQAPPADMNN-QMMMGPOBSA-N -1 3 277.328 1.073 10 0 CDAEHM CNC(=O)c1n[n-]nc1NC(=O)[C@H]1CCCC2(CC2)C1 ZINC000622883326 342265489 /nfs/dbraw/zinc/26/54/89/342265489.db2.gz TZRXDQAPPADMNN-QMMMGPOBSA-N -1 3 277.328 1.073 10 0 CDAEHM O=c1[n-]c(Cc2nnc3n2CCCCC3)nc2cccnc21 ZINC000491611574 539120024 /nfs/dbraw/zinc/12/00/24/539120024.db2.gz BHBIFSDJBBQPTK-UHFFFAOYSA-N -1 3 296.334 1.639 10 0 CDAEHM O=C(Cc1nc2cccnc2c(=O)[n-]1)Nc1ccccc1 ZINC000491854835 539120182 /nfs/dbraw/zinc/12/01/82/539120182.db2.gz UKISENXMVMYTDJ-UHFFFAOYSA-N -1 3 280.287 1.912 10 0 CDAEHM C[C@@](N)(C(=O)[O-])c1cc(Br)c(F)cc1F ZINC000113383723 342285968 /nfs/dbraw/zinc/28/59/68/342285968.db2.gz SKXQUUYVRDZBLP-VIFPVBQESA-N -1 3 280.068 1.986 10 0 CDAEHM COC(=O)c1ncccc1S(=O)(=O)[N-]C1CC(C)(C)C1 ZINC000595388211 343053014 /nfs/dbraw/zinc/05/30/14/343053014.db2.gz HRTMMHZSIOTKMY-UHFFFAOYSA-N -1 3 298.364 1.335 10 0 CDAEHM CCC(CC)[C@@H](C)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000408454643 282227387 /nfs/dbraw/zinc/22/73/87/282227387.db2.gz VTTQSTHHCRULHG-MEBBXXQBSA-N -1 3 295.383 1.259 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@@H](C)C2(CO)CC2)sc1C ZINC000596438709 343321732 /nfs/dbraw/zinc/32/17/32/343321732.db2.gz VVMUDOUCEUAZFL-QMMMGPOBSA-N -1 3 270.354 1.233 10 0 CDAEHM CN(C)c1ncc(NC(=O)c2c([O-])cccc2O)cn1 ZINC000092126018 342411452 /nfs/dbraw/zinc/41/14/52/342411452.db2.gz TYNDWHWLPHXYQQ-UHFFFAOYSA-N -1 3 274.280 1.206 10 0 CDAEHM O=C(Nc1cc(F)ccc1[O-])[C@@H](O)C1CCOCC1 ZINC000535420238 282256123 /nfs/dbraw/zinc/25/61/23/282256123.db2.gz ZMGGJLQYGIQICP-LBPRGKRZSA-N -1 3 269.272 1.257 10 0 CDAEHM COc1ccc([C@@H](C)Nc2cc(=O)[n-]cn2)cc1OC ZINC000163700860 781922628 /nfs/dbraw/zinc/92/26/28/781922628.db2.gz LETOQDYQRLBOER-SECBINFHSA-N -1 3 275.308 1.960 10 0 CDAEHM CCN(CC)C(=O)CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000249934608 344035279 /nfs/dbraw/zinc/03/52/79/344035279.db2.gz FSHAPNHZTYXGGO-XQQFMLRXSA-N -1 3 282.384 1.573 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H](C)Cc1ccco1 ZINC000612089767 347012111 /nfs/dbraw/zinc/01/21/11/347012111.db2.gz MYGQBSKXFLGYBA-ZETCQYMHSA-N -1 3 277.280 1.607 10 0 CDAEHM Cc1cccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2O)c1F ZINC000273185423 192068530 /nfs/dbraw/zinc/06/85/30/192068530.db2.gz MGZKKIYDEIEOCD-GHMZBOCLSA-N -1 3 287.356 1.573 10 0 CDAEHM CCCCSCCC(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000601655957 344220839 /nfs/dbraw/zinc/22/08/39/344220839.db2.gz RTZGQLGYVIKVJD-UHFFFAOYSA-N -1 3 285.369 1.427 10 0 CDAEHM COc1ccc([O-])c(C(=O)NC[C@@H](OC)[C@@H]2CCOC2)c1 ZINC000617148402 344933368 /nfs/dbraw/zinc/93/33/68/344933368.db2.gz QSNDGTAMTGGBBL-QMTHXVAHSA-N -1 3 295.335 1.182 10 0 CDAEHM COc1ccc(Cc2nnn[n-]2)c(Cl)c1OC ZINC000095191499 345115264 /nfs/dbraw/zinc/11/52/64/345115264.db2.gz QARUONCRXGVJQU-UHFFFAOYSA-N -1 3 254.677 1.461 10 0 CDAEHM COc1ccc(Cc2nn[n-]n2)c(Cl)c1OC ZINC000095191499 345115266 /nfs/dbraw/zinc/11/52/66/345115266.db2.gz QARUONCRXGVJQU-UHFFFAOYSA-N -1 3 254.677 1.461 10 0 CDAEHM CCc1cc([N-]C(=O)c2cn(-c3ccc(C)cc3)nn2)no1 ZINC000606889668 345099698 /nfs/dbraw/zinc/09/96/98/345099698.db2.gz MUOAWEPGMZVSGR-UHFFFAOYSA-N -1 3 297.318 1.800 10 0 CDAEHM Cc1cc([N-]C(=O)N2CC[S@](=O)C(C)(C)C2)on1 ZINC000079076205 345268469 /nfs/dbraw/zinc/26/84/69/345268469.db2.gz OIKUSKOBDYVJCA-GOSISDBHSA-N -1 3 271.342 1.358 10 0 CDAEHM CC(C)(C)[C@H]1CCN(C(=O)c2cc(=O)[n-]cn2)C[C@H]1O ZINC000626372329 345277658 /nfs/dbraw/zinc/27/76/58/345277658.db2.gz YORZAZRWLQTERX-GXSJLCMTSA-N -1 3 279.340 1.051 10 0 CDAEHM CCc1ccc(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)c([O-])c1 ZINC000617444449 345539871 /nfs/dbraw/zinc/53/98/71/345539871.db2.gz GGMRAIGQFDKIRI-SKDRFNHKSA-N -1 3 286.335 1.982 10 0 CDAEHM Cc1nn(C)cc1-c1cnc2nc(S(C)(=O)=O)[n-]c2c1 ZINC000623168859 345566372 /nfs/dbraw/zinc/56/63/72/345566372.db2.gz URFHPWADYDBQFA-UHFFFAOYSA-N -1 3 291.336 1.070 10 0 CDAEHM CC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H](CO)C2)cc1[O-] ZINC000412938914 362662085 /nfs/dbraw/zinc/66/20/85/362662085.db2.gz PWMHNUOVFANPQP-DGCLKSJQSA-N -1 3 291.347 1.876 10 0 CDAEHM CCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H]1CCN(C)C1 ZINC000617558411 345853653 /nfs/dbraw/zinc/85/36/53/345853653.db2.gz BOOULCABABVAFI-GFCCVEGCSA-N -1 3 299.374 1.694 10 0 CDAEHM C[C@@]12COC[C@H]1CN(C(=O)c1cc(=O)[n-]c(C3CC3)n1)C2 ZINC000618700598 346235305 /nfs/dbraw/zinc/23/53/05/346235305.db2.gz CTGGJHCYLWHMTM-MEBBXXQBSA-N -1 3 289.335 1.168 10 0 CDAEHM COc1cc(C(=O)N2CCC[C@@](CO)(OC)C2)ccc1[O-] ZINC000617801029 346345193 /nfs/dbraw/zinc/34/51/93/346345193.db2.gz FWIYBNYRAHSKNA-OAHLLOKOSA-N -1 3 295.335 1.014 10 0 CDAEHM Cc1nc([C@@H]2CCC[C@@H](C)C2)[n-]c(=O)c1CCO ZINC000085403923 179053315 /nfs/dbraw/zinc/05/33/15/179053315.db2.gz YVCJGCQILVMVKA-MWLCHTKSSA-N -1 3 250.342 1.907 10 0 CDAEHM Cc1ccc(C(=O)N2CC[C@@H](O)C(F)(F)C2)c([O-])c1 ZINC000617808873 346586280 /nfs/dbraw/zinc/58/62/80/346586280.db2.gz FCAGMCCJBCTEPH-LLVKDONJSA-N -1 3 271.263 1.543 10 0 CDAEHM O=C(N=c1cc2ccccn2[n-]1)N1CCO[C@H](CCF)C1 ZINC000626561666 346640168 /nfs/dbraw/zinc/64/01/68/346640168.db2.gz KJICNBVWADGZOD-GFCCVEGCSA-N -1 3 292.314 1.349 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)Nc1cccc2c1CCCC2 ZINC000085810935 179177900 /nfs/dbraw/zinc/17/79/00/179177900.db2.gz BVKNFFRMHZSNGA-LLVKDONJSA-N -1 3 262.309 1.306 10 0 CDAEHM CC(C)CN(CC(F)(F)F)C(=O)[C@@H](N)CCC(=O)[O-] ZINC000085839386 179184803 /nfs/dbraw/zinc/18/48/03/179184803.db2.gz XLZRVJKDIYPJRC-QMMMGPOBSA-N -1 3 284.278 1.225 10 0 CDAEHM N[C@@H](CCC(=O)[O-])C(=O)Nc1cc(F)cc(F)c1F ZINC000085844344 179186059 /nfs/dbraw/zinc/18/60/59/179186059.db2.gz QLEUOEBUTOJYFR-ZETCQYMHSA-N -1 3 276.214 1.235 10 0 CDAEHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H](N)CC(=O)[O-] ZINC000085815819 179179874 /nfs/dbraw/zinc/17/98/74/179179874.db2.gz KJDSDAVPWBYBJG-KOLCDFICSA-N -1 3 290.319 1.754 10 0 CDAEHM CC(C)(C)c1csc(NC(=O)[C@@H](N)CC(=O)[O-])n1 ZINC000085817657 179179945 /nfs/dbraw/zinc/17/99/45/179179945.db2.gz LQOYEBGVRSGDFM-LURJTMIESA-N -1 3 271.342 1.181 10 0 CDAEHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H](N)CC(=O)[O-] ZINC000085815818 179179949 /nfs/dbraw/zinc/17/99/49/179179949.db2.gz KJDSDAVPWBYBJG-ONGXEEELSA-N -1 3 290.319 1.754 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000085817475 179180007 /nfs/dbraw/zinc/18/00/07/179180007.db2.gz KXLMFQWFJASDJG-ONTFQQAWSA-N -1 3 280.368 1.121 10 0 CDAEHM CC[C@@H](NC(=O)[C@@H](N)CC(=O)[O-])c1cccs1 ZINC000085817663 179180079 /nfs/dbraw/zinc/18/00/79/179180079.db2.gz IWLSELDHYPCNSF-JGVFFNPUSA-N -1 3 256.327 1.117 10 0 CDAEHM CSc1ccc([O-])c(C(=O)N[C@@H](C)[C@@H](C)CO)c1 ZINC000612502618 347183663 /nfs/dbraw/zinc/18/36/63/347183663.db2.gz WLNXLYFKPYEDMI-IUCAKERBSA-N -1 3 269.366 1.861 10 0 CDAEHM CCC1(CC)CCN(C(=O)[C@@H](N)CC(=O)[O-])CC1 ZINC000085818062 179181398 /nfs/dbraw/zinc/18/13/98/179181398.db2.gz VQPDOLRQJXAMEJ-JTQLQIEISA-N -1 3 256.346 1.217 10 0 CDAEHM CCN(CC)CC[S@](=O)c1ccc(CC(=O)[O-])cc1 ZINC000085960438 179204247 /nfs/dbraw/zinc/20/42/47/179204247.db2.gz FOXBJBSBTXEPLF-LJQANCHMSA-N -1 3 283.393 1.763 10 0 CDAEHM CO[C@H](C(=O)N1CCc2c(nc[n-]c2=O)C1)C1CCCC1 ZINC000613429418 347724438 /nfs/dbraw/zinc/72/44/38/347724438.db2.gz NXMYAUWYQOXPJY-ZDUSSCGKSA-N -1 3 291.351 1.272 10 0 CDAEHM C[C@@]1(C(=O)NCc2ccc([O-])c3ncccc23)CCOC1 ZINC000616023768 349251795 /nfs/dbraw/zinc/25/17/95/349251795.db2.gz WBFUSQPEFVGYEJ-MRXNPFEDSA-N -1 3 286.331 1.983 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@](O)(C2CC2)C1 ZINC000618283204 349426370 /nfs/dbraw/zinc/42/63/70/349426370.db2.gz ZAJDURMZNAAEMR-MRXNPFEDSA-N -1 3 293.338 1.837 10 0 CDAEHM CC(C)c1ccc(N(C)C(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000091073588 180093755 /nfs/dbraw/zinc/09/37/55/180093755.db2.gz XXSTVFLJGHZYJM-LBPRGKRZSA-N -1 3 289.335 1.371 10 0 CDAEHM CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000620406281 350169427 /nfs/dbraw/zinc/16/94/27/350169427.db2.gz CHLOBLADSDDYHR-CYBMUJFWSA-N -1 3 290.363 1.769 10 0 CDAEHM C[C@@]1(C(F)F)CN(C(=O)Cc2cncc([O-])c2)CCO1 ZINC000621189170 350477744 /nfs/dbraw/zinc/47/77/44/350477744.db2.gz KOUQKACNNJGXNB-ZDUSSCGKSA-N -1 3 286.278 1.212 10 0 CDAEHM COC(=O)[C@@H]1CCCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000112282603 365984393 /nfs/dbraw/zinc/98/43/93/365984393.db2.gz LGYKKMPRWUKDLN-LLVKDONJSA-N -1 3 277.320 1.726 10 0 CDAEHM CC1(C)OCC[C@@H]1NC(=O)c1cc(F)c[n-]c1=O ZINC000622075853 350973321 /nfs/dbraw/zinc/97/33/21/350973321.db2.gz MXLPNPIOBPWNLY-VIFPVBQESA-N -1 3 254.261 1.224 10 0 CDAEHM O=C(c1cc(F)c[n-]c1=O)N1CCC[C@@]2(CCOC2)C1 ZINC000622094264 350991043 /nfs/dbraw/zinc/99/10/43/350991043.db2.gz HFIXCVGMJOMDIB-CQSZACIVSA-N -1 3 280.299 1.569 10 0 CDAEHM C[C@@]1(C(F)F)CN(C(=O)c2cc(F)c[n-]c2=O)CCO1 ZINC000622187152 351061080 /nfs/dbraw/zinc/06/10/80/351061080.db2.gz GIORIUKMSJJUPW-LBPRGKRZSA-N -1 3 290.241 1.423 10 0 CDAEHM COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2O)c([O-])c1 ZINC000051990386 363069671 /nfs/dbraw/zinc/06/96/71/363069671.db2.gz NTKVASMEDDGDFE-NEPJUHHUSA-N -1 3 265.309 1.434 10 0 CDAEHM O=C(N[C@@H]1CCCC[C@@H]1O)c1cc(=O)c2ccccc2[n-]1 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265.313 1.047 10 0 CDAEHM Cc1ccc([O-])c(CN2CCO[C@]3(CCO[C@H]3C)C2)n1 ZINC000279585900 367055566 /nfs/dbraw/zinc/05/55/66/367055566.db2.gz BZJDAGJJIGCMSE-SWLSCSKDSA-N -1 3 278.352 1.475 10 0 CDAEHM CCc1ccc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)c([O-])c1 ZINC000279633801 367072645 /nfs/dbraw/zinc/07/26/45/367072645.db2.gz ZOEBVESNKYQAJF-INIZCTEOSA-N -1 3 288.347 1.307 10 0 CDAEHM NCc1cccc2c1N(S(=O)(=O)c1ncc[n-]1)CCC2 ZINC000631954180 367032759 /nfs/dbraw/zinc/03/27/59/367032759.db2.gz DPPSIUIQNBRPPT-UHFFFAOYSA-N -1 3 292.364 1.010 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C ZINC000626980528 367126318 /nfs/dbraw/zinc/12/63/18/367126318.db2.gz IWMJXSRXVGQDGD-YPMHNXCESA-N -1 3 295.379 1.588 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CCCCCSC)c1 ZINC000358632901 367829740 /nfs/dbraw/zinc/82/97/40/367829740.db2.gz LETOYDMKKRDFBO-UHFFFAOYSA-N -1 3 291.442 1.715 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cncc(F)c1 ZINC000528451182 367845782 /nfs/dbraw/zinc/84/57/82/367845782.db2.gz 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281.356 1.156 10 0 CDAEHM CCc1nc(C)c(CC)c(N2CCN(CC(=O)[O-])CC2)n1 ZINC000070456683 379381485 /nfs/dbraw/zinc/38/14/85/379381485.db2.gz OHMNRMIOHXLLQN-UHFFFAOYSA-N -1 3 292.383 1.116 10 0 CDAEHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000289436869 197346859 /nfs/dbraw/zinc/34/68/59/197346859.db2.gz DJJAJWNKIGRNAF-BDAKNGLRSA-N -1 3 293.335 1.975 10 0 CDAEHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1sc(C)nc1C ZINC000289435400 197346227 /nfs/dbraw/zinc/34/62/27/197346227.db2.gz DFKPVISHTHHDEN-HTRCEHHLSA-N -1 3 278.399 1.462 10 0 CDAEHM CCCN1CCC[C@@H]1C(=O)N(C)[C@H](CC)C(=O)[O-] ZINC000653342663 412934107 /nfs/dbraw/zinc/93/41/07/412934107.db2.gz CZKRJDJOBLWDKV-GHMZBOCLSA-N -1 3 256.346 1.182 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2CC[C@H]2C2CC2)cs1 ZINC000452496432 252078766 /nfs/dbraw/zinc/07/87/66/252078766.db2.gz GQILQHZSIYKFNX-JTQLQIEISA-N -1 3 251.355 1.621 10 0 CDAEHM O=C(NCC[C@@]1(O)CCOC1)c1cc([O-])ccc1Cl ZINC000403133331 413021361 /nfs/dbraw/zinc/02/13/61/413021361.db2.gz RWWVJWKOTUEIDI-CYBMUJFWSA-N -1 3 285.727 1.317 10 0 CDAEHM Cc1cccc(C(=O)NCc2ncnn2C(C)C)c1[O-] ZINC000281302251 195188233 /nfs/dbraw/zinc/18/82/33/195188233.db2.gz YTVPMSRMWNVVTN-UHFFFAOYSA-N -1 3 274.324 1.803 10 0 CDAEHM COC(=O)C[C@@H]1CN(C(=O)c2ccc(C)cc2[O-])C[C@H]1C ZINC000928176236 781980697 /nfs/dbraw/zinc/98/06/97/781980697.db2.gz OEEVCIYGKAYAHM-VXGBXAGGSA-N -1 3 291.347 1.972 10 0 CDAEHM CO[C@H](CN1CCC[C@@H]1c1nc(=N)n(C)[n-]1)C1CCC1 ZINC000660470246 413046719 /nfs/dbraw/zinc/04/67/19/413046719.db2.gz NRLLMZIMAQCRMJ-VXGBXAGGSA-N -1 3 279.388 1.180 10 0 CDAEHM CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000646940910 390302824 /nfs/dbraw/zinc/30/28/24/390302824.db2.gz PORJVKZUCMZHAQ-CABZTGNLSA-N -1 3 280.755 1.822 10 0 CDAEHM COc1cc(=NC(=O)C[C@@H]2CCC[C@H](OC)C2)[n-]n1C ZINC000527259028 391017423 /nfs/dbraw/zinc/01/74/23/391017423.db2.gz OZOUYHPJHJXWLJ-MNOVXSKESA-N -1 3 281.356 1.384 10 0 CDAEHM O=C(CCc1cscn1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527500026 391023503 /nfs/dbraw/zinc/02/35/03/391023503.db2.gz PVCPMAPJRHUDST-LLVKDONJSA-N -1 3 292.364 1.711 10 0 CDAEHM CCN1C[C@@H](c2nc3ccc([O-])cc3c(=O)[nH]2)CC1=O ZINC000647603443 391030465 /nfs/dbraw/zinc/03/04/65/391030465.db2.gz YYWFVSJMKBRWOI-QMMMGPOBSA-N -1 3 273.292 1.377 10 0 CDAEHM CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000408064531 391219406 /nfs/dbraw/zinc/21/94/06/391219406.db2.gz WTSXBUKVHXHKCI-AAEUAGOBSA-N -1 3 291.351 1.128 10 0 CDAEHM C[C@@]1(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)CCCO1 ZINC000526959270 391235712 /nfs/dbraw/zinc/23/57/12/391235712.db2.gz CLPIRTXFGRFFAT-MFKMUULPSA-N -1 3 265.313 1.191 10 0 CDAEHM CCN(CCCO)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331240287 391490150 /nfs/dbraw/zinc/49/01/50/391490150.db2.gz PJGFYFBQXVLHPC-UHFFFAOYSA-N -1 3 293.363 1.950 10 0 CDAEHM COCC(C)(C)CC(=O)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000411739667 391517008 /nfs/dbraw/zinc/51/70/08/391517008.db2.gz AMLRSTXMTABVSO-UHFFFAOYSA-N -1 3 288.351 1.895 10 0 CDAEHM CC(C)(C)OC(=O)CCN1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000411656441 391497044 /nfs/dbraw/zinc/49/70/44/391497044.db2.gz BBZDQKBGAFQQTR-UHFFFAOYSA-N -1 3 296.371 1.422 10 0 CDAEHM NC(=O)c1csc(=NC[C@@H]2CCN2C2CCCC2)[n-]1 ZINC000528210327 391635345 /nfs/dbraw/zinc/63/53/45/391635345.db2.gz LKYMIXPYOUEBGM-JTQLQIEISA-N -1 3 280.397 1.093 10 0 CDAEHM Cc1nc2ccc(CN[C@]3(C(=O)[O-])CCOC3)cc2s1 ZINC000417564189 391663149 /nfs/dbraw/zinc/66/31/49/391663149.db2.gz IKRFKETVSAMUMX-CQSZACIVSA-N -1 3 292.360 1.938 10 0 CDAEHM Cc1ccc([O-])c(CN[C@H]2CNCCC2(F)F)n1 ZINC000415002923 391704878 /nfs/dbraw/zinc/70/48/78/391704878.db2.gz OBHINMLNMMFCDH-NSHDSACASA-N -1 3 257.284 1.182 10 0 CDAEHM Cc1ccoc1C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000549727349 391958341 /nfs/dbraw/zinc/95/83/41/391958341.db2.gz UEZQZCUSAJNDLO-VIFPVBQESA-N -1 3 275.312 1.106 10 0 CDAEHM Cn1[n-]c(CN2CCCC[C@@H]2C2CCC2)nc1=O ZINC000646140202 392079251 /nfs/dbraw/zinc/07/92/51/392079251.db2.gz ZDQWVAMIVMUZNQ-LLVKDONJSA-N -1 3 250.346 1.263 10 0 CDAEHM CC[C@@H]1C[C@@H](NC(=O)c2ccc3n[n-]nc3c2)CCO1 ZINC000421966860 392153094 /nfs/dbraw/zinc/15/30/94/392153094.db2.gz LPCHNKJWADOZKO-WDEREUQCSA-N -1 3 274.324 1.645 10 0 CDAEHM O=C(Cc1ccc(Br)cc1[O-])Nc1nc[nH]n1 ZINC000431328931 392184499 /nfs/dbraw/zinc/18/44/99/392184499.db2.gz PIAAEUJVOLEOAP-UHFFFAOYSA-N -1 3 297.112 1.454 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2cc(C)nn2C)c[n-]1 ZINC000431342258 392186228 /nfs/dbraw/zinc/18/62/28/392186228.db2.gz RWLPHMLFUSDXAE-UHFFFAOYSA-N -1 3 262.269 1.096 10 0 CDAEHM Cc1nnc([N-]C(=O)c2cn(C(C)C)nn2)s1 ZINC000431388138 392192972 /nfs/dbraw/zinc/19/29/72/392192972.db2.gz CGFWANCIZVYBCN-UHFFFAOYSA-N -1 3 252.303 1.271 10 0 CDAEHM COC(=O)c1cc(C(=O)N=c2cc(C)n(C(C)C)[nH]2)c[n-]1 ZINC000422072496 392198167 /nfs/dbraw/zinc/19/81/67/392198167.db2.gz FIIMIXMLQDRWFE-UHFFFAOYSA-N -1 3 290.323 1.561 10 0 CDAEHM COC[C@@]1(C(=O)[O-])CCN(Cc2cccc(F)c2F)C1 ZINC000381357817 392228468 /nfs/dbraw/zinc/22/84/68/392228468.db2.gz GDIXNKFHJCWIIJ-CQSZACIVSA-N -1 3 285.290 1.888 10 0 CDAEHM Cn1cnc(CCNC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000457860551 392265145 /nfs/dbraw/zinc/26/51/45/392265145.db2.gz ONEKCOLIKYQZGI-UHFFFAOYSA-N -1 3 299.374 1.977 10 0 CDAEHM CC(C)c1nocc1C(=O)NCc1ncccc1[O-] ZINC000529221687 392284269 /nfs/dbraw/zinc/28/42/69/392284269.db2.gz KKODWTHONAPNGZ-UHFFFAOYSA-N -1 3 261.281 1.829 10 0 CDAEHM Cc1ccc(NC(=O)CN2CC(=O)[N-]C2=O)c(Cl)c1C ZINC000648967342 392528832 /nfs/dbraw/zinc/52/88/32/392528832.db2.gz WYXOKBRZDBYYTR-UHFFFAOYSA-N -1 3 295.726 1.447 10 0 CDAEHM Cc1ccc([O-])c(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)n1 ZINC000516713395 392774798 /nfs/dbraw/zinc/77/47/98/392774798.db2.gz MYCZVXVKSJPPEN-GXTWGEPZSA-N -1 3 296.392 1.247 10 0 CDAEHM O=C([N-]CCc1ccccc1O)C(F)(F)C(F)F ZINC000269129918 132118039 /nfs/dbraw/zinc/11/80/39/132118039.db2.gz IBTAYOWXCQHBQX-UHFFFAOYSA-N -1 3 265.206 1.951 10 0 CDAEHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2cncc(F)c2)O1 ZINC000494329489 392978953 /nfs/dbraw/zinc/97/89/53/392978953.db2.gz LDLJZTPZIGIDES-JTQLQIEISA-N -1 3 288.344 1.457 10 0 CDAEHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)[C@H]1CCC(=O)C1 ZINC000649210782 393037345 /nfs/dbraw/zinc/03/73/45/393037345.db2.gz MACXKTKTWRFPQO-JTQLQIEISA-N -1 3 270.292 1.201 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cnc(C)nc1C ZINC000649230576 393125018 /nfs/dbraw/zinc/12/50/18/393125018.db2.gz OVZNISSABPTFTR-UHFFFAOYSA-N -1 3 273.340 1.923 10 0 CDAEHM CC[C@H](C(=O)N=c1[nH][n-]c(C(C)C)c1C)[C@H](C)O ZINC000649229800 393126469 /nfs/dbraw/zinc/12/64/69/393126469.db2.gz NMBIPYOBQOZGRO-UWVGGRQHSA-N -1 3 253.346 1.609 10 0 CDAEHM C[C@@H]1CCc2ccccc2N1C(=O)[C@H](N)CCC(=O)[O-] ZINC000085818395 135038335 /nfs/dbraw/zinc/03/83/35/135038335.db2.gz XRQMNUCQTSJKJC-ZYHUDNBSSA-N -1 3 276.336 1.546 10 0 CDAEHM O=S(=O)([N-][C@@H]1Cc2ccccc2[C@@H]1O)c1ccco1 ZINC000188711603 140100583 /nfs/dbraw/zinc/10/05/83/140100583.db2.gz NGDCARTYHYIWKZ-YPMHNXCESA-N -1 3 279.317 1.216 10 0 CDAEHM CN(c1nc2nncc-2c(O)[n-]1)[C@H](CO)Cc1ccccc1 ZINC000664127975 413093683 /nfs/dbraw/zinc/09/36/83/413093683.db2.gz IZFQHKAOPOTFNZ-NSHDSACASA-N -1 3 299.334 1.098 10 0 CDAEHM CN(C)CCOc1cccc(NC(=O)C(C)(C)C(=O)[O-])c1 ZINC000649462128 397740946 /nfs/dbraw/zinc/74/09/46/397740946.db2.gz FKUMOMSAQSBTHU-UHFFFAOYSA-N -1 3 294.351 1.676 10 0 CDAEHM COc1cc(=NC(=O)[C@@H]2C[C@H]2C2CCCC2)[n-]n1C ZINC000649936772 398051256 /nfs/dbraw/zinc/05/12/56/398051256.db2.gz HQFZOUHLWSBJBU-WDEREUQCSA-N -1 3 263.341 1.615 10 0 CDAEHM CO[C@@H]1C[C@@H](NCc2cccc(C(=O)[O-])n2)C12CCC2 ZINC000712867790 782000749 /nfs/dbraw/zinc/00/07/49/782000749.db2.gz HVUWDRUMZYQRRT-CHWSQXEVSA-N -1 3 276.336 1.827 10 0 CDAEHM COc1nnc(NC(=O)c2sc([C@H](C)OC)nc2C)[n-]1 ZINC000182986030 148280591 /nfs/dbraw/zinc/28/05/91/148280591.db2.gz OMHKUCUBQBMKDB-LURJTMIESA-N -1 3 297.340 1.538 10 0 CDAEHM COc1nc(NC(=O)c2sc([C@H](C)OC)nc2C)n[n-]1 ZINC000182986030 148280595 /nfs/dbraw/zinc/28/05/95/148280595.db2.gz OMHKUCUBQBMKDB-LURJTMIESA-N -1 3 297.340 1.538 10 0 CDAEHM COc1n[n-]c(NC(=O)c2sc([C@H](C)OC)nc2C)n1 ZINC000182986030 148280597 /nfs/dbraw/zinc/28/05/97/148280597.db2.gz OMHKUCUBQBMKDB-LURJTMIESA-N -1 3 297.340 1.538 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCc3c2cnn3C)o1 ZINC000334189414 149342752 /nfs/dbraw/zinc/34/27/52/149342752.db2.gz GTYPDJOZWPAQFG-NSHDSACASA-N -1 3 295.364 1.677 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCCO2)o1 ZINC000334207824 149363473 /nfs/dbraw/zinc/36/34/73/149363473.db2.gz CELGTGTVVHXESF-SNVBAGLBSA-N -1 3 259.327 1.435 10 0 CDAEHM Cn1ncc(C(=O)NCc2ncccc2[O-])c1C1CC1 ZINC000352506072 155234499 /nfs/dbraw/zinc/23/44/99/155234499.db2.gz DAAYDJGNHHWEMR-UHFFFAOYSA-N -1 3 272.308 1.328 10 0 CDAEHM CC(C)CCO[C@H](C)C(=O)NCc1ncccc1[O-] ZINC000352506198 155235609 /nfs/dbraw/zinc/23/56/09/155235609.db2.gz FKJSHNLLLRHIEG-LLVKDONJSA-N -1 3 266.341 1.855 10 0 CDAEHM O=C(NCc1ncccc1[O-])[C@H]1COc2ccccc2O1 ZINC000352511808 155239769 /nfs/dbraw/zinc/23/97/69/155239769.db2.gz ZPZYKWNXKMBZDV-CQSZACIVSA-N -1 3 286.287 1.243 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)N1CCN2CCC1CC2 ZINC000335776249 151009000 /nfs/dbraw/zinc/00/90/00/151009000.db2.gz VUQAVFMKUVJFGO-UHFFFAOYSA-N -1 3 293.342 1.521 10 0 CDAEHM O=S(=O)(CC(F)(F)F)[N-][C@@H]1CCN2CCCC[C@@H]12 ZINC000335892102 151087456 /nfs/dbraw/zinc/08/74/56/151087456.db2.gz RGFUBWDWNDCQAX-BDAKNGLRSA-N -1 3 286.319 1.095 10 0 CDAEHM NC(=O)[C@H]1CCC[C@@H](NCc2c(F)ccc([O-])c2F)C1 ZINC000352603020 155297698 /nfs/dbraw/zinc/29/76/98/155297698.db2.gz GAMRRKOCGSDYDX-DTWKUNHWSA-N -1 3 284.306 1.804 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2cn(C)nc2C(C)C)c[n-]1 ZINC000352604047 155297746 /nfs/dbraw/zinc/29/77/46/155297746.db2.gz RKOOHEUBKWROHN-UHFFFAOYSA-N -1 3 290.323 1.911 10 0 CDAEHM Cc1cc(CC[N-]S(=O)(=O)c2cccc(C)c2F)on1 ZINC000352645745 155322175 /nfs/dbraw/zinc/32/21/75/155322175.db2.gz NFKNABLGPOIKAD-UHFFFAOYSA-N -1 3 298.339 1.952 10 0 CDAEHM O=C(NCCCCO)c1c[n-]c2c(Cl)cccc2c1=O ZINC000343127968 152043405 /nfs/dbraw/zinc/04/34/05/152043405.db2.gz UPFJCXHULIWZCH-UHFFFAOYSA-N -1 3 294.738 1.684 10 0 CDAEHM COC(C)(C)CS(=O)(=O)[N-][C@@H](C)c1nnc(C)s1 ZINC000349580896 154145818 /nfs/dbraw/zinc/14/58/18/154145818.db2.gz MVYALAKMOSWQNS-ZETCQYMHSA-N -1 3 293.414 1.252 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCOCC(F)F)o1 ZINC000349991373 154300178 /nfs/dbraw/zinc/30/01/78/154300178.db2.gz MGEOCCQMGLJWDB-UHFFFAOYSA-N -1 3 269.269 1.148 10 0 CDAEHM Cc1ncccc1CC(=O)NCc1ncccc1[O-] ZINC000355437713 157054134 /nfs/dbraw/zinc/05/41/34/157054134.db2.gz VDZQGZFCGXSWEE-UHFFFAOYSA-N -1 3 257.293 1.350 10 0 CDAEHM O=C([N-]OC[C@@H]1CCOC1)[C@@H]1C[C@H]1c1cccnc1 ZINC000365026878 159376325 /nfs/dbraw/zinc/37/63/25/159376325.db2.gz MWCSUNACNHKLSX-KGYLQXTDSA-N -1 3 262.309 1.269 10 0 CDAEHM O=C(/C=C/c1cncc([O-])c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000371615084 160032940 /nfs/dbraw/zinc/03/29/40/160032940.db2.gz FTDRRPKCFUFXJU-VRNIZTMPSA-N -1 3 260.293 1.190 10 0 CDAEHM COC(OC)[C@H](C)NC(=O)c1c(C)cccc1[O-] ZINC000706641782 782012854 /nfs/dbraw/zinc/01/28/54/782012854.db2.gz BHHDLVBJHUMREB-VIFPVBQESA-N -1 3 253.298 1.438 10 0 CDAEHM C[C@@H]1CC(C)(C)CN1C(=O)C(=O)[N-]c1cnns1 ZINC000411846795 287214974 /nfs/dbraw/zinc/21/49/74/287214974.db2.gz PXIHCWSOPZVFEK-SSDOTTSWSA-N -1 3 268.342 1.124 10 0 CDAEHM C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(N)=S)N2 ZINC000251924775 287247067 /nfs/dbraw/zinc/24/70/67/287247067.db2.gz UVWFEYOHPLEJSI-QIOHGKGESA-N -1 3 281.303 1.589 10 0 CDAEHM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cccc(CN)c1 ZINC000020254527 171107284 /nfs/dbraw/zinc/10/72/84/171107284.db2.gz PTJUKIGZYIETAC-UHFFFAOYSA-N -1 3 280.353 1.286 10 0 CDAEHM COc1ccc(N)cc1S(=O)(=O)[N-]CC(F)(F)F ZINC000020547185 171244692 /nfs/dbraw/zinc/24/46/92/171244692.db2.gz QTFNLFFFXANCPI-UHFFFAOYSA-N -1 3 284.259 1.118 10 0 CDAEHM CCc1cccc([N-]S(=O)(=O)c2ccc(NN)nc2)c1 ZINC000021787375 171323080 /nfs/dbraw/zinc/32/30/80/171323080.db2.gz NNGRFEPFEZLGQI-UHFFFAOYSA-N -1 3 292.364 1.730 10 0 CDAEHM O=C(Cc1cncc([O-])c1)NCC1(C(F)(F)F)CC1 ZINC000655399457 412175807 /nfs/dbraw/zinc/17/58/07/412175807.db2.gz MXJHLQPUSYJGKB-UHFFFAOYSA-N -1 3 274.242 1.788 10 0 CDAEHM CC(C)OCCS(=O)(=O)[N-]c1ccc2c(c1)CCOC2 ZINC000656643300 413508714 /nfs/dbraw/zinc/50/87/14/413508714.db2.gz AUSJXTYEDCMHED-UHFFFAOYSA-N -1 3 299.392 1.926 10 0 CDAEHM COc1ccc([N-]S(=O)(=O)c2ccc(NN)cc2)cc1 ZINC000035354321 172145041 /nfs/dbraw/zinc/14/50/41/172145041.db2.gz NEAMTAUTQCJMKN-UHFFFAOYSA-N -1 3 293.348 1.782 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1cc(N)ccc1F)C1CC1 ZINC000035732678 172383933 /nfs/dbraw/zinc/38/39/33/172383933.db2.gz QXBCPTDQDXDYMF-SSDOTTSWSA-N -1 3 258.318 1.485 10 0 CDAEHM COC[C@H](CN1CCc2ccc(C(=O)[O-])cc2C1)OC ZINC000656757286 413636170 /nfs/dbraw/zinc/63/61/70/413636170.db2.gz SDUJYTKIKNHZRS-AWEZNQCLSA-N -1 3 279.336 1.404 10 0 CDAEHM C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccccc2[O-])CCN1C ZINC000656914521 413783239 /nfs/dbraw/zinc/78/32/39/413783239.db2.gz HIPCHOXXURJWBU-VXGBXAGGSA-N -1 3 298.408 1.495 10 0 CDAEHM C[C@@H](C[N-]S(=O)(=O)c1ccco1)c1ccccn1 ZINC000657041636 413870687 /nfs/dbraw/zinc/87/06/87/413870687.db2.gz ZZAJDUKKIWOKHJ-JTQLQIEISA-N -1 3 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CC(C)N(C)C(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000043585499 175071618 /nfs/dbraw/zinc/07/16/18/175071618.db2.gz XYLUIUUTKSNQQY-GFCCVEGCSA-N -1 3 270.373 1.430 10 0 CDAEHM O=C([O-])/C=C/c1csc(CN2CCC[C@H]2CO)c1 ZINC000043699240 175097167 /nfs/dbraw/zinc/09/71/67/175097167.db2.gz KKKIBXCFUDPGDL-UFFNRZRYSA-N -1 3 267.350 1.803 10 0 CDAEHM COC(=O)[C@H](C)CN(C)C(=O)c1cccc(OC)c1[O-] ZINC000044415504 175173009 /nfs/dbraw/zinc/17/30/09/175173009.db2.gz FUDKWXXVRAJQFV-SECBINFHSA-N -1 3 281.308 1.282 10 0 CDAEHM CC[C@H](C)[C@H](NC(=O)NC[C@@H]1CCCN(C)C1)C(=O)[O-] ZINC000044559948 175203939 /nfs/dbraw/zinc/20/39/39/175203939.db2.gz CYLMQISDGJWCGV-SRVKXCTJSA-N -1 3 285.388 1.127 10 0 CDAEHM CC[C@H](C(=O)[O-])N(C)C(=O)C[C@@H](N)c1ccccc1 ZINC000044625202 175221279 /nfs/dbraw/zinc/22/12/79/175221279.db2.gz QSXYGXBQMRVQLE-VXGBXAGGSA-N -1 3 264.325 1.398 10 0 CDAEHM CC[C@@H](C(=O)[O-])N(C)C(=O)N[C@@H](CN(C)C)C(C)C ZINC000044646066 175222787 /nfs/dbraw/zinc/22/27/87/175222787.db2.gz 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/nfs/dbraw/zinc/49/62/93/288496293.db2.gz UOGUVAGLOUHGGL-HLTSFMKQSA-N -1 3 282.369 1.370 10 0 CDAEHM CC(C)[C@@H](CN(C)C)NC(=O)N[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000070572619 175988206 /nfs/dbraw/zinc/98/82/06/175988206.db2.gz DRXUAFZRBUZKET-RWMBFGLXSA-N -1 3 299.415 1.515 10 0 CDAEHM Cc1cc(C[N-]S(=O)(=O)c2ccc3c(c2)NCC3)on1 ZINC000071101991 176033515 /nfs/dbraw/zinc/03/35/15/176033515.db2.gz HRSPHBSAEVJAEB-UHFFFAOYSA-N -1 3 293.348 1.430 10 0 CDAEHM NN=c1s[n-]nc1COc1cc(F)ccc1F ZINC000071168640 176050008 /nfs/dbraw/zinc/05/00/08/176050008.db2.gz VJIPETZPZQMUGU-UHFFFAOYSA-N -1 3 258.253 1.681 10 0 CDAEHM CC(C)[C@@H](N)C(=O)Nc1ccc(C(=O)[O-])cc1Cl ZINC000071391984 176148982 /nfs/dbraw/zinc/14/89/82/176148982.db2.gz VKIFHFCNIONRMB-SNVBAGLBSA-N -1 3 270.716 1.960 10 0 CDAEHM CC[C@@H](CCNC(=O)N(C)CCN(C)C)CCC(=O)[O-] ZINC000079205626 177445601 /nfs/dbraw/zinc/44/56/01/177445601.db2.gz ZCLZXSSNVWINBJ-GFCCVEGCSA-N -1 3 287.404 1.471 10 0 CDAEHM CCC[C@](C)(NCc1cc2n(n1)CCCC2)C(=O)[O-] ZINC000653503451 424221816 /nfs/dbraw/zinc/22/18/16/424221816.db2.gz HMKWJUOISOQMFA-AWEZNQCLSA-N -1 3 265.357 1.952 10 0 CDAEHM COCC1(C[N-]S(=O)(=O)c2c(C)cccc2F)CC1 ZINC000655639746 424256466 /nfs/dbraw/zinc/25/64/66/424256466.db2.gz WWVBZHQQTPIYJB-UHFFFAOYSA-N -1 3 287.356 1.839 10 0 CDAEHM CCN1CCC[C@H]1CN(C)C(=O)C(C)(C)C(=O)[O-] ZINC000215194125 424446586 /nfs/dbraw/zinc/44/65/86/424446586.db2.gz IGAGJELAYLKXCZ-JTQLQIEISA-N -1 3 256.346 1.040 10 0 CDAEHM O=C([O-])CCN(C[C@@H](O)C(F)(F)F)CC1CC1 ZINC000652468056 424463415 /nfs/dbraw/zinc/46/34/15/424463415.db2.gz UXTSUBIIUNUSEW-MRVPVSSYSA-N -1 3 255.236 1.096 10 0 CDAEHM O=C(c1c([O-])cc(F)cc1F)N1CCN2CCC[C@H]2C1 ZINC000049516079 424478883 /nfs/dbraw/zinc/47/88/83/424478883.db2.gz MCPJPYBDIAAJBA-JTQLQIEISA-N -1 3 282.290 1.591 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](C)Cc2ccccc2)[n-]1 ZINC000179373876 265752799 /nfs/dbraw/zinc/75/27/99/265752799.db2.gz PETSREAFBCIMFI-VIFPVBQESA-N -1 3 260.297 1.631 10 0 CDAEHM COc1nc(NC(=O)[C@@H](C)Cc2ccccc2)n[n-]1 ZINC000179373876 265752802 /nfs/dbraw/zinc/75/28/02/265752802.db2.gz PETSREAFBCIMFI-VIFPVBQESA-N -1 3 260.297 1.631 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](C)Cc2ccccc2)n1 ZINC000179373876 265752804 /nfs/dbraw/zinc/75/28/04/265752804.db2.gz PETSREAFBCIMFI-VIFPVBQESA-N -1 3 260.297 1.631 10 0 CDAEHM [O-]c1cc(CN2C[C@H](O)C[C@@H]2CO)cc(C(F)(F)F)c1 ZINC000356415773 266109812 /nfs/dbraw/zinc/10/98/12/266109812.db2.gz OVUSNUVFALGHBJ-ZYHUDNBSSA-N -1 3 291.269 1.339 10 0 CDAEHM CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000191037414 270288012 /nfs/dbraw/zinc/28/80/12/270288012.db2.gz FUNRKVXMDIFFFC-DTWKUNHWSA-N -1 3 291.319 1.811 10 0 CDAEHM CC[C@@H](O)CCCNC(=O)c1cccc(OC)c1[O-] ZINC000398625446 270357214 /nfs/dbraw/zinc/35/72/14/270357214.db2.gz YSMJSYZMGIQZEU-SNVBAGLBSA-N -1 3 267.325 1.682 10 0 CDAEHM CO[C@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000515433585 270440562 /nfs/dbraw/zinc/44/05/62/270440562.db2.gz UWAQMZYWCIMRIE-JQWIXIFHSA-N -1 3 291.351 1.747 10 0 CDAEHM O=C(NCC[C@H]1CCCOC1)c1ccc2n[n-]nc2c1 ZINC000529599108 271000264 /nfs/dbraw/zinc/00/02/64/271000264.db2.gz VDCHDKLZKQGRNE-SNVBAGLBSA-N -1 3 274.324 1.504 10 0 CDAEHM COc1cccc(C(=O)NCC[C@@H]2CCCOC2)c1[O-] ZINC000529598282 271000644 /nfs/dbraw/zinc/00/06/44/271000644.db2.gz AZGXSPRKFIAMSL-NSHDSACASA-N -1 3 279.336 1.947 10 0 CDAEHM COc1ccc(C(=O)N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c([O-])c1 ZINC000529986958 271086969 /nfs/dbraw/zinc/08/69/69/271086969.db2.gz NXFMQLVTSQSMOB-YCWTYVPXSA-N -1 3 279.336 1.943 10 0 CDAEHM Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)ccc1[O-] ZINC000530065524 271095074 /nfs/dbraw/zinc/09/50/74/271095074.db2.gz PQYHCCPISMSYLM-UVARLRKDSA-N -1 3 293.388 1.826 10 0 CDAEHM O=C(NCC1COC1)c1ccc2c(c1[O-])CCCC2 ZINC000530115521 271108987 /nfs/dbraw/zinc/10/89/87/271108987.db2.gz BWJILNJUDGPJGX-UHFFFAOYSA-N -1 3 261.321 1.647 10 0 CDAEHM COc1ccc(C)cc1CN1CC[C@@](OC)(C(=O)[O-])C1 ZINC000530168500 271125437 /nfs/dbraw/zinc/12/54/37/271125437.db2.gz 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CDAEHM COc1cc(C(=O)N[C@H](C)C(OC)OC)cc(OC)c1[O-] ZINC000854463626 928211325 /nfs/dbraw/zinc/21/13/25/928211325.db2.gz WRFZNBFKDYSBNH-MRVPVSSYSA-N -1 3 299.323 1.147 10 0 CDAEHM O=C(NCCCc1cc(=O)[nH][n-]1)c1csc(Cl)n1 ZINC000854485906 928216189 /nfs/dbraw/zinc/21/61/89/928216189.db2.gz FINQZWWPBYSDIF-UHFFFAOYSA-N -1 3 286.744 1.182 10 0 CDAEHM O=C(NCCC1SCCS1)c1cccc2n[n-]nc21 ZINC000856220376 928566158 /nfs/dbraw/zinc/56/61/58/928566158.db2.gz UCPMTDCECKXIMK-UHFFFAOYSA-N -1 3 294.405 1.884 10 0 CDAEHM O=C1[N-]C(=O)C(=CNCC[C@@H]2CC2(F)F)c2ccccc21 ZINC000856720753 928617637 /nfs/dbraw/zinc/61/76/37/928617637.db2.gz RLWGMKKJCCJKEV-ZPBHHCQCSA-N -1 3 292.285 1.932 10 0 CDAEHM CCO[C@@H](CS(=O)(=O)[N-]Cc1ncc(C)o1)C1CC1 ZINC000859047977 928957088 /nfs/dbraw/zinc/95/70/88/928957088.db2.gz ZIAVXAIEOYEVBT-NSHDSACASA-N -1 3 288.369 1.218 10 0 CDAEHM O=S(=O)([N-]C[C@H]1CCCC12CC2)c1c[nH]nc1Cl ZINC000859421838 929012418 /nfs/dbraw/zinc/01/24/18/929012418.db2.gz CCTQGVKZIBSXIL-MRVPVSSYSA-N -1 3 289.788 1.922 10 0 CDAEHM CCOCCO[N-]C(=O)[C@@H]1C[C@@]1(C)Br ZINC000860936006 929220636 /nfs/dbraw/zinc/22/06/36/929220636.db2.gz SDYSREXUZYFLJO-IONNQARKSA-N -1 3 266.135 1.244 10 0 CDAEHM Cc1cccc([O-])c1C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000862147801 929382765 /nfs/dbraw/zinc/38/27/65/929382765.db2.gz RPXZWTPQVIKJDU-LLVKDONJSA-N -1 3 290.319 1.414 10 0 CDAEHM COc1ccc(C(F)(F)C(=O)[N-][C@@H]2COCCC2=O)cc1 ZINC000862935015 929486754 /nfs/dbraw/zinc/48/67/54/929486754.db2.gz XVRHJTDZQBAVRS-LLVKDONJSA-N -1 3 299.273 1.261 10 0 CDAEHM O=C(Nc1c[nH]nn1)c1ccc2ccccc2c1[O-] ZINC000788166090 929491422 /nfs/dbraw/zinc/49/14/22/929491422.db2.gz RWXPDRNHAYGNRL-UHFFFAOYSA-N -1 3 254.249 1.916 10 0 CDAEHM O=C(C[C@H]1CCC(F)(F)C1)Nc1ccncc1[O-] ZINC000797961039 937342567 /nfs/dbraw/zinc/34/25/67/937342567.db2.gz DDPKLKKMDFLINA-MRVPVSSYSA-N -1 3 256.252 1.973 10 0 CDAEHM O=C(C[C@@H]1CCC(F)(F)C1)[N-]OC[C@H]1CCOC1 ZINC000797999610 937343975 /nfs/dbraw/zinc/34/39/75/937343975.db2.gz DGEHOKPFAFQEMI-UWVGGRQHSA-N -1 3 263.284 1.896 10 0 CDAEHM NC(=S)c1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000798342606 937353768 /nfs/dbraw/zinc/35/37/68/937353768.db2.gz OCTRNPDGQVAKMT-UHFFFAOYSA-N -1 3 287.344 1.351 10 0 CDAEHM O=C([N-]c1ncn(Cc2cccnc2)n1)c1cncs1 ZINC001115930069 937424322 /nfs/dbraw/zinc/42/43/22/937424322.db2.gz XCZKTCVVFHBRRV-UHFFFAOYSA-N -1 3 286.320 1.430 10 0 CDAEHM CO[C@@H](C)CN(C(=O)c1ccc(N)cc1[O-])C(C)C ZINC000817947475 930641764 /nfs/dbraw/zinc/64/17/64/930641764.db2.gz OHFQVEDGWIZUNA-JTQLQIEISA-N -1 3 266.341 1.860 10 0 CDAEHM O=C(/C=C\[C@H]1CCCO1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000821398894 931044650 /nfs/dbraw/zinc/04/46/50/931044650.db2.gz UYDLBOZBSBFULT-FOQNGQEVSA-N -1 3 290.319 1.838 10 0 CDAEHM Cc1n[n-]c(S(=O)(=O)[C@@H]2CCc3ccccc32)n1 ZINC001117105242 937496661 /nfs/dbraw/zinc/49/66/61/937496661.db2.gz MJJCQGBHPQLTMU-LLVKDONJSA-N -1 3 263.322 1.574 10 0 CDAEHM Cc1nnc(S(=O)(=O)[C@@H]2CCc3ccccc32)[n-]1 ZINC001117105242 937496664 /nfs/dbraw/zinc/49/66/64/937496664.db2.gz MJJCQGBHPQLTMU-LLVKDONJSA-N -1 3 263.322 1.574 10 0 CDAEHM C[C@H]1CC[C@H]1NC(=O)c1nnc2ccccc2c1[O-] ZINC001117273667 937505523 /nfs/dbraw/zinc/50/55/23/937505523.db2.gz HTPOGWLSHKVKMS-WCBMZHEXSA-N -1 3 257.293 1.864 10 0 CDAEHM C[C@H](CN1CC[C@@](F)(CO)C1)C(=O)c1ccc([O-])cc1 ZINC000930359970 931800714 /nfs/dbraw/zinc/80/07/14/931800714.db2.gz HRPVNDDRMRSSDK-ABAIWWIYSA-N -1 3 281.327 1.617 10 0 CDAEHM COC(=O)c1coc(C(=O)[N-]c2cc(SC)ncn2)c1 ZINC001411486822 931828088 /nfs/dbraw/zinc/82/80/88/931828088.db2.gz WMIAWXAYKDDCJW-UHFFFAOYSA-N -1 3 293.304 1.830 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1cc2ccccc2o1 ZINC001411762493 932002711 /nfs/dbraw/zinc/00/27/11/932002711.db2.gz FSFKDALTSXCVCT-ZDUSSCGKSA-N -1 3 299.330 1.604 10 0 CDAEHM CC(=Cc1ccccn1)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000846930499 932165330 /nfs/dbraw/zinc/16/53/30/932165330.db2.gz PWNJQKRJXQXHMO-FLIBITNWSA-N -1 3 296.330 1.565 10 0 CDAEHM Cc1noc(C2CC2)c1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001412531816 932471866 /nfs/dbraw/zinc/47/18/66/932471866.db2.gz YINFGRDXFHKDDM-JTQLQIEISA-N -1 3 290.323 1.102 10 0 CDAEHM CC[C@@](C)(CNCc1cc2n(n1)CCCC2)C(=O)[O-] ZINC001118303749 937614843 /nfs/dbraw/zinc/61/48/43/937614843.db2.gz XOJDFPXAUCDVMV-AWEZNQCLSA-N -1 3 265.357 1.810 10 0 CDAEHM COC(=O)CC1CC(NC(=O)c2ccc(O)cc2[O-])C1 ZINC000927936179 933101568 /nfs/dbraw/zinc/10/15/68/933101568.db2.gz PZKVUTYZJTWBEV-UHFFFAOYSA-N -1 3 279.292 1.169 10 0 CDAEHM COc1ccc(C(=O)NN2CCC[C@@H](OC)C2)c([O-])c1 ZINC000928416088 933139566 /nfs/dbraw/zinc/13/95/66/933139566.db2.gz WALRSKJEMAAQPE-LLVKDONJSA-N -1 3 280.324 1.156 10 0 CDAEHM CO[C@H]1CCCN(NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000928418994 933140757 /nfs/dbraw/zinc/14/07/57/933140757.db2.gz JVVIHHSZHKVGQR-NSHDSACASA-N -1 3 282.315 1.216 10 0 CDAEHM CC(C)(O)CO[N-]C(=O)Cc1cccc2cnccc21 ZINC001118913318 937677672 /nfs/dbraw/zinc/67/76/72/937677672.db2.gz LHBBPYIKMAXBBJ-UHFFFAOYSA-N -1 3 274.320 1.596 10 0 CDAEHM CC[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C)N(CC)CC ZINC000778641271 934209771 /nfs/dbraw/zinc/20/97/71/934209771.db2.gz SQNGZQJXPPGXHO-NSHDSACASA-N -1 3 292.445 1.599 10 0 CDAEHM C[C@@H]1C[C@@H]1COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000156845462 934264223 /nfs/dbraw/zinc/26/42/23/934264223.db2.gz UNVGYSMVFVVAFR-BBBLOLIVSA-N -1 3 277.386 1.150 10 0 CDAEHM O=C(N[C@H]1COC2(CCC2)C1)c1ccc(O)cc1[O-] ZINC000688343556 934589686 /nfs/dbraw/zinc/58/96/86/934589686.db2.gz ZIXPQBLOMFIVPQ-SECBINFHSA-N -1 3 263.293 1.539 10 0 CDAEHM CC[C@@H]1OCC[C@H]1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000796080540 934964257 /nfs/dbraw/zinc/96/42/57/934964257.db2.gz OLMBCEUZZVEKGT-BDAKNGLRSA-N -1 3 276.296 1.818 10 0 CDAEHM CCO[N-]C(=O)CC[C@@H]1[C@H](C)Nc2ccnn2[C@H]1C ZINC001123584933 936184334 /nfs/dbraw/zinc/18/43/34/936184334.db2.gz VWVUKMCZHIPIKB-GARJFASQSA-N -1 3 266.345 1.722 10 0 CDAEHM CC(=CC(=O)NCc1nc(C)cc(=O)[n-]1)c1ccco1 ZINC001164369941 939465867 /nfs/dbraw/zinc/46/58/67/939465867.db2.gz RIICDTGUHURHAX-RMKNXTFCSA-N -1 3 273.292 1.803 10 0 CDAEHM CC1(C[N-]S(=O)(=O)c2cccnc2F)CCC1 ZINC000401854091 940883489 /nfs/dbraw/zinc/88/34/89/940883489.db2.gz MLFQCRKVXAPTPD-UHFFFAOYSA-N -1 3 258.318 1.689 10 0 CDAEHM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1F ZINC000401793065 940880131 /nfs/dbraw/zinc/88/01/31/940880131.db2.gz OPOIJDJYNJGJCH-SECBINFHSA-N -1 3 260.334 1.934 10 0 CDAEHM O=S(=O)([N-][C@@H]1CC12CCOCC2)c1cccnc1F ZINC000401816736 940881494 /nfs/dbraw/zinc/88/14/94/940881494.db2.gz IKDDPCOOYHLKAS-SNVBAGLBSA-N -1 3 286.328 1.068 10 0 CDAEHM CC(C)CCOCC[N-]S(=O)(=O)c1cccnc1F ZINC000401852279 940883563 /nfs/dbraw/zinc/88/35/63/940883563.db2.gz LNUNTAPJSXQZFP-UHFFFAOYSA-N -1 3 290.360 1.562 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H](C)c1ccncc1 ZINC001362207810 971015556 /nfs/dbraw/zinc/01/55/56/971015556.db2.gz MHKDZSUHLJPLJC-ZETCQYMHSA-N -1 3 274.280 1.333 10 0 CDAEHM CCOC(=O)c1c[n-]c(=NCCCOCCOC)s1 ZINC000382450224 943937754 /nfs/dbraw/zinc/93/77/54/943937754.db2.gz TWNJBIMWWANIKZ-UHFFFAOYSA-N -1 3 288.369 1.207 10 0 CDAEHM COc1nnc(NC(=O)[C@H](O)C2CCCCCCC2)[n-]1 ZINC001362601437 971444998 /nfs/dbraw/zinc/44/49/98/971444998.db2.gz YMSWSZHFNPTIHA-SNVBAGLBSA-N -1 3 282.344 1.473 10 0 CDAEHM COc1nc(NC(=O)[C@H](O)C2CCCCCCC2)n[n-]1 ZINC001362601437 971445001 /nfs/dbraw/zinc/44/50/01/971445001.db2.gz YMSWSZHFNPTIHA-SNVBAGLBSA-N -1 3 282.344 1.473 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H](O)C2CCCCCCC2)n1 ZINC001362601437 971445009 /nfs/dbraw/zinc/44/50/09/971445009.db2.gz YMSWSZHFNPTIHA-SNVBAGLBSA-N -1 3 282.344 1.473 10 0 CDAEHM Cc1nn(C)cc1NC(=O)CCc1c(C)nc[n-]c1=O ZINC001650009601 1169600934 /nfs/dbraw/zinc/60/09/34/1169600934.db2.gz MYAJABFMYXNYAP-UHFFFAOYSA-N -1 3 275.312 1.104 10 0 CDAEHM O=C(N=[S@]1(=O)CCc2ccccc21)c1cc(=O)cc[n-]1 ZINC001362954918 971758684 /nfs/dbraw/zinc/75/86/84/971758684.db2.gz QXNDJWDPRGPPFL-FQEVSTJZSA-N -1 3 288.328 1.598 10 0 CDAEHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)n(C)n1 ZINC001363621789 953560224 /nfs/dbraw/zinc/56/02/24/953560224.db2.gz AGUVYXRMTUUKQG-UHFFFAOYSA-N -1 3 291.311 1.269 10 0 CDAEHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)n(C)n1 ZINC001363621789 953560229 /nfs/dbraw/zinc/56/02/29/953560229.db2.gz AGUVYXRMTUUKQG-UHFFFAOYSA-N -1 3 291.311 1.269 10 0 CDAEHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)[C@H]1C[C@H]1F ZINC001363903922 953999075 /nfs/dbraw/zinc/99/90/75/953999075.db2.gz WJPAADGNLUBILJ-XWLWVQCSSA-N -1 3 279.315 1.683 10 0 CDAEHM Cc1nc(C)c(CCC(=O)N2CC[C@@]23CCOC3)c(=O)[n-]1 ZINC001364513118 954719959 /nfs/dbraw/zinc/71/99/59/954719959.db2.gz RYXJISQXRGCXDQ-HNNXBMFYSA-N -1 3 291.351 1.123 10 0 CDAEHM NC(=O)c1ncc([N-]C(=O)c2c(F)cncc2F)s1 ZINC001364756452 955142451 /nfs/dbraw/zinc/14/24/51/955142451.db2.gz FKKCVBMZQIIILS-UHFFFAOYSA-N -1 3 284.247 1.168 10 0 CDAEHM COc1ccc(C(=O)N2CCc3ccnc(N)c3C2)c([O-])c1 ZINC001363407482 972143870 /nfs/dbraw/zinc/14/38/70/972143870.db2.gz GQTJTYDYOAVOMW-UHFFFAOYSA-N -1 3 299.330 1.577 10 0 CDAEHM Cc1csc(CNCCc2nc(C(=O)[O-])cs2)n1 ZINC001331846400 957295748 /nfs/dbraw/zinc/29/57/48/957295748.db2.gz SNADAOADKAZCAV-UHFFFAOYSA-N -1 3 283.378 1.939 10 0 CDAEHM CCOCC[C@H](NCc1cn(C2CC2)cn1)C(=O)[O-] ZINC001332029034 957407302 /nfs/dbraw/zinc/40/73/02/957407302.db2.gz GYWNNUXOGFOGJI-LBPRGKRZSA-N -1 3 267.329 1.187 10 0 CDAEHM CCC(C)(CC)C(=O)N[C@H](C)[C@@H](C)NC(=O)c1cn[n-]n1 ZINC001369706366 959824671 /nfs/dbraw/zinc/82/46/71/959824671.db2.gz GTKVALFBJLXXOJ-NXEZZACHSA-N -1 3 295.387 1.254 10 0 CDAEHM CC[C@H](C)C(=O)N[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001414991528 972506612 /nfs/dbraw/zinc/50/66/12/972506612.db2.gz RINKBXQZIVGQPV-SDDRHHMPSA-N -1 3 290.363 1.815 10 0 CDAEHM O=C(NC[C@@H]1COc2ccccc21)c1cnncc1[O-] ZINC001434044231 960924744 /nfs/dbraw/zinc/92/47/44/960924744.db2.gz MTNMKIGIIQKCAP-SECBINFHSA-N -1 3 271.276 1.088 10 0 CDAEHM Nc1nnc([C@@H]2CCCN(C(=O)c3ccccc3[O-])C2)o1 ZINC001434229743 961100663 /nfs/dbraw/zinc/10/06/63/961100663.db2.gz VLMBDMPOEGMVGB-SECBINFHSA-N -1 3 288.307 1.377 10 0 CDAEHM Cc1cc(NC(=O)[N-]O[C@@H]2CCCCO2)cc(C)n1 ZINC001324151504 961200934 /nfs/dbraw/zinc/20/09/34/961200934.db2.gz ZSWLSPJGUDBGIA-GFCCVEGCSA-N -1 3 265.313 1.700 10 0 CDAEHM CCOc1nnc(NC(=O)[C@@](C)(O)c2ccccc2)[n-]1 ZINC001418981042 961225579 /nfs/dbraw/zinc/22/55/79/961225579.db2.gz JBAXOODRELJVCH-ZDUSSCGKSA-N -1 3 276.296 1.050 10 0 CDAEHM CCOc1nc(NC(=O)[C@@](C)(O)c2ccccc2)n[n-]1 ZINC001418981042 961225594 /nfs/dbraw/zinc/22/55/94/961225594.db2.gz JBAXOODRELJVCH-ZDUSSCGKSA-N -1 3 276.296 1.050 10 0 CDAEHM CCOc1n[n-]c(NC(=O)[C@@](C)(O)c2ccccc2)n1 ZINC001418981042 961225609 /nfs/dbraw/zinc/22/56/09/961225609.db2.gz JBAXOODRELJVCH-ZDUSSCGKSA-N -1 3 276.296 1.050 10 0 CDAEHM Cc1cnc(C(=O)N2CC[C@@H](c3[nH]ncc3N)C2)c([O-])c1 ZINC001434415880 961334457 /nfs/dbraw/zinc/33/44/57/961334457.db2.gz NZOJUDVMLQCPES-SECBINFHSA-N -1 3 287.323 1.031 10 0 CDAEHM O=C([N-]c1nc[nH]n1)c1ccc(OCC(F)(F)F)o1 ZINC001434428121 961362932 /nfs/dbraw/zinc/36/29/32/961362932.db2.gz YNEIVJIWVNXSNU-UHFFFAOYSA-N -1 3 276.174 1.591 10 0 CDAEHM Clc1cnc(CN2CC[C@H](c3nnn[n-]3)C2)s1 ZINC001434486015 961510075 /nfs/dbraw/zinc/51/00/75/961510075.db2.gz SPNHYGUCTDASOS-LURJTMIESA-N -1 3 270.749 1.299 10 0 CDAEHM Clc1cnc(CN2CC[C@H](c3nn[n-]n3)C2)s1 ZINC001434486015 961510090 /nfs/dbraw/zinc/51/00/90/961510090.db2.gz SPNHYGUCTDASOS-LURJTMIESA-N -1 3 270.749 1.299 10 0 CDAEHM CN(C(=O)c1nnc2ccccc2c1[O-])c1nncs1 ZINC001342636358 963784678 /nfs/dbraw/zinc/78/46/78/963784678.db2.gz HVQRWMTVKQBKNN-UHFFFAOYSA-N -1 3 287.304 1.464 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCOCC)c1 ZINC001345633266 964765564 /nfs/dbraw/zinc/76/55/64/964765564.db2.gz RLIAKYTVRHRYCI-UHFFFAOYSA-N -1 3 278.308 1.283 10 0 CDAEHM O=C(NCC=Cc1cccnc1)c1cnncc1[O-] ZINC001556826453 965107633 /nfs/dbraw/zinc/10/76/33/965107633.db2.gz KHRNJIMJZYANQG-RQOWECAXSA-N -1 3 256.265 1.020 10 0 CDAEHM C=COc1ccc(NC(=O)c2cc(=O)[n-]cn2)cc1 ZINC001556964639 965125032 /nfs/dbraw/zinc/12/50/32/965125032.db2.gz HRBRYCMNFUAKIW-UHFFFAOYSA-N -1 3 257.249 1.957 10 0 CDAEHM COC(=O)c1cc(NC(=O)c2c[nH]cn2)c([O-])c(OC)c1 ZINC001558677330 965334150 /nfs/dbraw/zinc/33/41/50/965334150.db2.gz MPJJPDTWBOOANG-UHFFFAOYSA-N -1 3 291.263 1.163 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)/C=C\CCc1ccccc1 ZINC001443446267 965469570 /nfs/dbraw/zinc/46/95/70/965469570.db2.gz HKOHBCOQYQQLIT-IZIDJEDMSA-N -1 3 299.374 1.804 10 0 CDAEHM COC(=O)/C=C/[C@H](C)NC(=O)c1c([O-])cccc1OC ZINC001348677568 966125455 /nfs/dbraw/zinc/12/54/55/966125455.db2.gz FWDNXELSRJWYDY-FLOXNTQESA-N -1 3 279.292 1.248 10 0 CDAEHM COC(=O)/C=C\[C@@H](C)NC(=O)c1ccc(OC)cc1[O-] ZINC001349727390 966448847 /nfs/dbraw/zinc/44/88/47/966448847.db2.gz ZBSGYQRZFQZZSZ-WQAKUFEDSA-N -1 3 279.292 1.248 10 0 CDAEHM Cn1cnc(C=CC(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC001538230217 967049974 /nfs/dbraw/zinc/04/99/74/967049974.db2.gz ZNKYHGZKJZCQRY-IHWYPQMZSA-N -1 3 286.217 1.209 10 0 CDAEHM Cn1cnc(C=CC(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC001538230217 967049983 /nfs/dbraw/zinc/04/99/83/967049983.db2.gz ZNKYHGZKJZCQRY-IHWYPQMZSA-N -1 3 286.217 1.209 10 0 CDAEHM Cn1cnc(C=CC(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC001538230217 967049996 /nfs/dbraw/zinc/04/99/96/967049996.db2.gz ZNKYHGZKJZCQRY-IHWYPQMZSA-N -1 3 286.217 1.209 10 0 CDAEHM Cc1ccc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)s1 ZINC001452723195 968167639 /nfs/dbraw/zinc/16/76/39/968167639.db2.gz QXASVCKOLGMFFP-UHFFFAOYSA-N -1 3 281.362 1.771 10 0 CDAEHM C/C(=C/c1ccccn1)C(=O)[N-]OC[C@H]1CCOC1 ZINC000847880257 968293910 /nfs/dbraw/zinc/29/39/10/968293910.db2.gz GUVDWORXJPPBSQ-KGTBHZDVSA-N -1 3 262.309 1.569 10 0 CDAEHM O=C(OCCCc1c(F)cccc1F)c1cnn[n-]1 ZINC000848759364 969278793 /nfs/dbraw/zinc/27/87/93/969278793.db2.gz YWSNFZNOSBTMJW-UHFFFAOYSA-N -1 3 267.235 1.873 10 0 CDAEHM O=C(OCCCc1c(F)cccc1F)c1c[n-]nn1 ZINC000848759364 969278800 /nfs/dbraw/zinc/27/88/00/969278800.db2.gz YWSNFZNOSBTMJW-UHFFFAOYSA-N -1 3 267.235 1.873 10 0 CDAEHM C[C@@H](Nc1nccn(C)c1=O)c1nc(C(F)(F)F)n[n-]1 ZINC001458647646 969329039 /nfs/dbraw/zinc/32/90/39/969329039.db2.gz ZOJITCKLNWOOGD-RXMQYKEDSA-N -1 3 288.233 1.090 10 0 CDAEHM Cc1nnccc1NC(=O)c1c[n-]c2ccccc2c1=O 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O=C(COc1ccsc1)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001469720050 970268350 /nfs/dbraw/zinc/26/83/50/970268350.db2.gz OLEYQSYMMSTUFJ-UHFFFAOYSA-N -1 3 297.361 1.228 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)c2c3c[nH]nc3ccc2C)n1 ZINC001469725176 970268612 /nfs/dbraw/zinc/26/86/12/970268612.db2.gz GHNISMRXLCLRCR-UHFFFAOYSA-N -1 3 297.318 1.605 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1cccc(F)c1F ZINC001469720612 970268681 /nfs/dbraw/zinc/26/86/81/970268681.db2.gz UBTCFKZKHDKIHS-UHFFFAOYSA-N -1 3 297.286 1.679 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)c1cc(Cl)ncc1F ZINC001521260101 970276021 /nfs/dbraw/zinc/27/60/21/970276021.db2.gz IXKCXZRAZJHULG-UHFFFAOYSA-N -1 3 298.661 1.636 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)c1cc(Cl)ncc1F ZINC001521260101 970276028 /nfs/dbraw/zinc/27/60/28/970276028.db2.gz IXKCXZRAZJHULG-UHFFFAOYSA-N -1 3 298.661 1.636 10 0 CDAEHM C[C@@H](O)[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1ccccc1F ZINC001472823182 970708332 /nfs/dbraw/zinc/70/83/32/970708332.db2.gz YVEBOYRVSXKFCH-PRHODGIISA-N -1 3 287.298 1.400 10 0 CDAEHM O=C(c1ncc(Cl)cn1)N1CCCc2c(=O)[n-]cnc21 ZINC001417574793 973166897 /nfs/dbraw/zinc/16/68/97/973166897.db2.gz ONKLYIIOZPOOGA-UHFFFAOYSA-N -1 3 291.698 1.219 10 0 CDAEHM Cc1[nH]nc(C(=O)N2CCN(CC3CCCC3)CC2)c1[O-] ZINC001374282964 973875568 /nfs/dbraw/zinc/87/55/68/973875568.db2.gz UOKILZUDDHBVMR-UHFFFAOYSA-N -1 3 292.383 1.372 10 0 CDAEHM CC[C@H](C)CC(=O)NCCC[C@@H](C)NC(=O)c1cn[n-]n1 ZINC001510051858 975921554 /nfs/dbraw/zinc/92/15/54/975921554.db2.gz ASCSWVHAIWQFDN-WDEREUQCSA-N -1 3 295.387 1.256 10 0 CDAEHM CCCN(CCNC(=O)c1ncccc1[O-])C[C@H](F)CC ZINC001391123301 976702775 /nfs/dbraw/zinc/70/27/75/976702775.db2.gz BVIUVDFXKOELHF-GFCCVEGCSA-N -1 3 297.374 1.977 10 0 CDAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2C)oc1C ZINC000585741258 342455240 /nfs/dbraw/zinc/45/52/40/342455240.db2.gz XXVMRQPDZRRONV-HZGVNTEJSA-N -1 3 273.310 1.061 10 0 CDAEHM Cc1nn(C)c(C)c1S(=O)(=O)[N-]CC[C@@H]1CC1(F)F ZINC000621302639 341979614 /nfs/dbraw/zinc/97/96/14/341979614.db2.gz JPCDKHZWRZUFSA-SECBINFHSA-N -1 3 293.339 1.361 10 0 CDAEHM CCCCn1c(SCCN(C#N)CC)n[n-]c1=O ZINC000601072835 342462492 /nfs/dbraw/zinc/46/24/92/342462492.db2.gz VAXJEJREMDYKAE-UHFFFAOYSA-N -1 3 269.374 1.679 10 0 CDAEHM C[C@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)CCCO1 ZINC000589547673 342508857 /nfs/dbraw/zinc/50/88/57/342508857.db2.gz XPNLTUGSOVXMAY-NSHDSACASA-N -1 3 286.331 1.779 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)C[C@H]1CCC(F)(F)C1)C(=O)OC ZINC000601366923 342557443 /nfs/dbraw/zinc/55/74/43/342557443.db2.gz JRMFPFGMUKBMAK-DTWKUNHWSA-N -1 3 299.339 1.293 10 0 CDAEHM O=C([O-])CN1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000082575278 178116550 /nfs/dbraw/zinc/11/65/50/178116550.db2.gz NNZBPIWTUMGEMW-UHFFFAOYSA-N -1 3 270.279 1.167 10 0 CDAEHM CC(C)OC(=O)[C@H](C)[N-]S(=O)(=O)C[C@H]1CCC1(F)F ZINC000601431838 342562160 /nfs/dbraw/zinc/56/21/60/342562160.db2.gz GIHJWZKMMTXBET-DTWKUNHWSA-N -1 3 299.339 1.291 10 0 CDAEHM CCC(F)(F)CNC(=O)NCc1ncccc1[O-] ZINC000624664228 342006856 /nfs/dbraw/zinc/00/68/56/342006856.db2.gz SEGKONHWLXLSET-UHFFFAOYSA-N -1 3 259.256 1.632 10 0 CDAEHM CCO[C@H](CS(=O)(=O)[N-]CC(O)(CC)CC)C1CC1 ZINC000624996330 342025836 /nfs/dbraw/zinc/02/58/36/342025836.db2.gz YDFOCRSCXGYWHF-GFCCVEGCSA-N -1 3 293.429 1.272 10 0 CDAEHM CC1(C)CCCN[C@H]1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000232917215 342034973 /nfs/dbraw/zinc/03/49/73/342034973.db2.gz HPICBJOODFJOSO-MNOVXSKESA-N -1 3 268.357 1.088 10 0 CDAEHM CC(C)=CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001578756128 1171996986 /nfs/dbraw/zinc/99/69/86/1171996986.db2.gz GSQSKFULPMCKPI-TXEJJXNPSA-N -1 3 288.347 1.735 10 0 CDAEHM COc1cccc2oc(C(=O)[O-])c(S(C)(=O)=O)c21 ZINC000584881916 342053126 /nfs/dbraw/zinc/05/31/26/342053126.db2.gz SZAODPNSRAOZLJ-UHFFFAOYSA-N -1 3 270.262 1.543 10 0 CDAEHM CC(C)C[C@H](CNC(=O)[C@]1(C)CCCCN1)C(=O)[O-] ZINC000133564075 342070059 /nfs/dbraw/zinc/07/00/59/342070059.db2.gz REKQFNVOYCQQHR-RISCZKNCSA-N -1 3 270.373 1.382 10 0 CDAEHM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)CC1CC1 ZINC000592075219 342663873 /nfs/dbraw/zinc/66/38/73/342663873.db2.gz IYJBHPKSGNESDY-JTQLQIEISA-N -1 3 277.386 1.294 10 0 CDAEHM O=S(=O)([N-][C@H]1CCC[C@H](O)C1)c1cccs1 ZINC000077103152 342147820 /nfs/dbraw/zinc/14/78/20/342147820.db2.gz CPGCMVGXUWGFND-IUCAKERBSA-N -1 3 261.368 1.330 10 0 CDAEHM COC(=O)c1cc(C(=O)N=c2[nH][nH]cc2C2CC2)c[n-]1 ZINC000592829291 342741157 /nfs/dbraw/zinc/74/11/57/342741157.db2.gz YGUICLXACRDWDR-UHFFFAOYSA-N -1 3 274.280 1.076 10 0 CDAEHM O=S(=O)([N-][C@H]1CO[C@@H](C2CC2)C1)c1cncc(F)c1 ZINC000625577861 342190019 /nfs/dbraw/zinc/19/00/19/342190019.db2.gz CDYNNIJZMCHPIH-ZYHUDNBSSA-N -1 3 286.328 1.067 10 0 CDAEHM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1sccc1C ZINC000593634518 342817340 /nfs/dbraw/zinc/81/73/40/342817340.db2.gz VPHWMGKKKQEGCP-MRVPVSSYSA-N -1 3 295.357 1.236 10 0 CDAEHM COc1ccc([N+](=O)[O-])cc1CN(CC(=O)[O-])CC1CC1 ZINC000036885960 342844917 /nfs/dbraw/zinc/84/49/17/342844917.db2.gz UGQREIVMCUWGRJ-UHFFFAOYSA-N -1 3 294.307 1.900 10 0 CDAEHM CCc1cccc(C(=O)N2CCC[C@H]2C(=O)NC)c1[O-] ZINC000094082503 539037529 /nfs/dbraw/zinc/03/75/29/539037529.db2.gz XATCQKCEVCBMMU-LBPRGKRZSA-N -1 3 276.336 1.305 10 0 CDAEHM C[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1ccccn1 ZINC000130759880 342221870 /nfs/dbraw/zinc/22/18/70/342221870.db2.gz XPFLIJCJUJWOTD-GFCCVEGCSA-N -1 3 283.397 1.234 10 0 CDAEHM O=C(N[C@@H]1CNC(=O)C1)c1cc([O-])c2ccccc2c1 ZINC000335836389 539062117 /nfs/dbraw/zinc/06/21/17/539062117.db2.gz RVXTVXXUNROLIS-NSHDSACASA-N -1 3 270.288 1.164 10 0 CDAEHM CNC(=O)c1nn[n-]c1NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000622883325 342265583 /nfs/dbraw/zinc/26/55/83/342265583.db2.gz TZRXDQAPPADMNN-MRVPVSSYSA-N -1 3 277.328 1.073 10 0 CDAEHM CNC(=O)c1[n-]nnc1NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000622883325 342265584 /nfs/dbraw/zinc/26/55/84/342265584.db2.gz TZRXDQAPPADMNN-MRVPVSSYSA-N -1 3 277.328 1.073 10 0 CDAEHM CNC(=O)c1n[n-]nc1NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000622883325 342265585 /nfs/dbraw/zinc/26/55/85/342265585.db2.gz TZRXDQAPPADMNN-MRVPVSSYSA-N -1 3 277.328 1.073 10 0 CDAEHM O=C(NCCc1nnc[nH]1)c1cc([O-])c2ccccc2c1 ZINC000354627293 539101055 /nfs/dbraw/zinc/10/10/55/539101055.db2.gz AQZWNZJWWLMAKV-UHFFFAOYSA-N -1 3 282.303 1.636 10 0 CDAEHM CCN(CC(N)=O)C(=O)c1cc([O-])c2ccccc2c1 ZINC000356007112 539104524 /nfs/dbraw/zinc/10/45/24/539104524.db2.gz JEPOQRKTGYDARP-UHFFFAOYSA-N -1 3 272.304 1.493 10 0 CDAEHM C[C@H](NC(=O)c1c([O-])cccc1O)[C@@H]1CCCO1 ZINC000125640525 187194468 /nfs/dbraw/zinc/19/44/68/187194468.db2.gz PMCUOAHKEYRTFF-KWQFWETISA-N -1 3 251.282 1.395 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc3[n-]nnc32)C[C@@H](C)O1 ZINC000182667846 539142889 /nfs/dbraw/zinc/14/28/89/539142889.db2.gz LNBFOUQLUYWEFP-RKDXNWHRSA-N -1 3 260.297 1.207 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc3nn[n-]c32)C[C@@H](C)O1 ZINC000182667846 539142890 /nfs/dbraw/zinc/14/28/90/539142890.db2.gz LNBFOUQLUYWEFP-RKDXNWHRSA-N -1 3 260.297 1.207 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc3n[n-]nc32)C[C@@H](C)O1 ZINC000182667846 539142891 /nfs/dbraw/zinc/14/28/91/539142891.db2.gz LNBFOUQLUYWEFP-RKDXNWHRSA-N -1 3 260.297 1.207 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000626068720 342298181 /nfs/dbraw/zinc/29/81/81/342298181.db2.gz RDEKBZOOLZKWGD-UHFFFAOYSA-N -1 3 297.376 1.350 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2CCCCCC(=O)C2)n[n-]1 ZINC000562327358 293136456 /nfs/dbraw/zinc/13/64/56/293136456.db2.gz IPUHENVXHFDLBD-MRVPVSSYSA-N -1 3 266.301 1.291 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2CCCCCC(=O)C2)[n-]1 ZINC000562327358 293136458 /nfs/dbraw/zinc/13/64/58/293136458.db2.gz IPUHENVXHFDLBD-MRVPVSSYSA-N -1 3 266.301 1.291 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2CCCCCC(=O)C2)n1 ZINC000562327358 293136460 /nfs/dbraw/zinc/13/64/60/293136460.db2.gz IPUHENVXHFDLBD-MRVPVSSYSA-N -1 3 266.301 1.291 10 0 CDAEHM CSc1nnc(NC(=O)[C@@H]2CCc3cccc(O)c32)[n-]1 ZINC000645026649 362051647 /nfs/dbraw/zinc/05/16/47/362051647.db2.gz KVYNJMDVXKOJPY-MRVPVSSYSA-N -1 3 290.348 1.901 10 0 CDAEHM CSc1n[n-]c(NC(=O)[C@@H]2CCc3cccc(O)c32)n1 ZINC000645026649 362051653 /nfs/dbraw/zinc/05/16/53/362051653.db2.gz KVYNJMDVXKOJPY-MRVPVSSYSA-N -1 3 290.348 1.901 10 0 CDAEHM CC(C)C[C@@H](C(=O)[O-])N1CCN(Cc2nccn2C)CC1 ZINC000629488871 362097529 /nfs/dbraw/zinc/09/75/29/362097529.db2.gz XAIMTVLOABDCJA-ZDUSSCGKSA-N -1 3 294.399 1.037 10 0 CDAEHM COc1cc(C(=O)N2CCCCCO2)ccc1[O-] ZINC000351887914 362099884 /nfs/dbraw/zinc/09/98/84/362099884.db2.gz VXRRYEWJLWWMBV-UHFFFAOYSA-N -1 3 251.282 1.959 10 0 CDAEHM C/C=C/C[C@@H](CO)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000274601548 365730455 /nfs/dbraw/zinc/73/04/55/365730455.db2.gz LIGDFINIULVSKK-VUDBWIFFSA-N -1 3 286.331 1.997 10 0 CDAEHM Cc1cccc(C(=O)NCCO[C@@H]2CC2(F)F)c1[O-] ZINC000618124503 342379005 /nfs/dbraw/zinc/37/90/05/342379005.db2.gz FQZWBYKFXNAFTF-SNVBAGLBSA-N -1 3 271.263 1.855 10 0 CDAEHM CCOC(=O)c1c[n-]c(=NCCC2CC(OC)C2)s1 ZINC000596307664 343293379 /nfs/dbraw/zinc/29/33/79/343293379.db2.gz CSPSEVDTKIYEOP-UHFFFAOYSA-N -1 3 284.381 1.969 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-]CC(C)(C)F)nc1C ZINC000632608958 362176307 /nfs/dbraw/zinc/17/63/07/362176307.db2.gz NSCNFUAWOWBNCT-UHFFFAOYSA-N -1 3 263.338 1.238 10 0 CDAEHM CCCCN(C)[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC000643871649 362182652 /nfs/dbraw/zinc/18/26/52/362182652.db2.gz CZRWSBWPIAAVAZ-LLVKDONJSA-N -1 3 256.346 1.184 10 0 CDAEHM CC(C)CCN(C)[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC000643873125 362177510 /nfs/dbraw/zinc/17/75/10/362177510.db2.gz SCWGEMKQOMJKKS-LBPRGKRZSA-N -1 3 270.373 1.430 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)[C@H](OC)C2CCC2)[n-]1 ZINC000597560796 343572567 /nfs/dbraw/zinc/57/25/67/343572567.db2.gz CDMZEZAVENLUHT-SNVBAGLBSA-N -1 3 281.312 1.340 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)[C@H](OC)C2CCC2)c[n-]1 ZINC000597560796 343572569 /nfs/dbraw/zinc/57/25/69/343572569.db2.gz CDMZEZAVENLUHT-SNVBAGLBSA-N -1 3 281.312 1.340 10 0 CDAEHM COc1nnc(NC(=O)C2(c3ccccc3)CC2)[n-]1 ZINC000126837367 187266093 /nfs/dbraw/zinc/26/60/93/187266093.db2.gz UHCAAWQVMIPAPR-UHFFFAOYSA-N -1 3 258.281 1.484 10 0 CDAEHM COc1nc(NC(=O)C2(c3ccccc3)CC2)n[n-]1 ZINC000126837367 187266095 /nfs/dbraw/zinc/26/60/95/187266095.db2.gz UHCAAWQVMIPAPR-UHFFFAOYSA-N -1 3 258.281 1.484 10 0 CDAEHM COc1n[n-]c(NC(=O)C2(c3ccccc3)CC2)n1 ZINC000126837367 187266096 /nfs/dbraw/zinc/26/60/96/187266096.db2.gz UHCAAWQVMIPAPR-UHFFFAOYSA-N -1 3 258.281 1.484 10 0 CDAEHM COC(=O)C12CC(C1)CN2C(=O)c1ccc([O-])c(C)c1 ZINC000598058417 343698061 /nfs/dbraw/zinc/69/80/61/343698061.db2.gz BZHKSDGFYYKRMX-UHFFFAOYSA-N -1 3 275.304 1.478 10 0 CDAEHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CC(F)(F)CN1 ZINC000263214955 362265343 /nfs/dbraw/zinc/26/53/43/362265343.db2.gz KSRZTXONKRGFHK-QMMMGPOBSA-N -1 3 276.670 1.981 10 0 CDAEHM CCn1ncnc1CN1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000250453525 344041802 /nfs/dbraw/zinc/04/18/02/344041802.db2.gz NYPOFOZKWNMSBX-WOPDTQHZSA-N -1 3 278.356 1.516 10 0 CDAEHM CSCC1(CC(=O)NCc2cc(=O)[n-]c(=O)[nH]2)CC1 ZINC000601650689 344212455 /nfs/dbraw/zinc/21/24/55/344212455.db2.gz DUABPUOICFYRGN-UHFFFAOYSA-N -1 3 283.353 1.037 10 0 CDAEHM O=C(N[C@H]1CCNC(=O)CC1)c1cc([O-])ccc1Cl ZINC000396734968 344581287 /nfs/dbraw/zinc/58/12/87/344581287.db2.gz HZLGYFNLSZMFAG-MRVPVSSYSA-N -1 3 282.727 1.444 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2cccc(C)n2)o1 ZINC000536897158 282347972 /nfs/dbraw/zinc/34/79/72/282347972.db2.gz OPWBOWYPAGYHJG-UHFFFAOYSA-N -1 3 266.322 1.770 10 0 CDAEHM CCc1cc(C(=O)NC[C@@H](OC)[C@@H]2CCOC2)ccc1[O-] ZINC000617129458 344860862 /nfs/dbraw/zinc/86/08/62/344860862.db2.gz HROYVZSQYASCOC-UKRRQHHQSA-N -1 3 293.363 1.736 10 0 CDAEHM CC[C@@H](Oc1cc2c(cc1CNC1CC1)OCO2)C(=O)[O-] ZINC000084099913 178789826 /nfs/dbraw/zinc/78/98/26/178789826.db2.gz DOSWAIVIDDCDBI-LLVKDONJSA-N -1 3 293.319 1.909 10 0 CDAEHM COc1nc(NC(=O)[C@@H](C)OCc2ccc(C)cc2)n[n-]1 ZINC000626333531 345260146 /nfs/dbraw/zinc/26/01/46/345260146.db2.gz UXHMMKHLJSDGRB-SNVBAGLBSA-N -1 3 290.323 1.666 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](C)OCc2ccc(C)cc2)[n-]1 ZINC000626333531 345260149 /nfs/dbraw/zinc/26/01/49/345260149.db2.gz UXHMMKHLJSDGRB-SNVBAGLBSA-N -1 3 290.323 1.666 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](C)OCc2ccc(C)cc2)n1 ZINC000626333531 345260155 /nfs/dbraw/zinc/26/01/55/345260155.db2.gz UXHMMKHLJSDGRB-SNVBAGLBSA-N -1 3 290.323 1.666 10 0 CDAEHM C[C@@H]1C[C@@H](NC(=O)c2cccc([O-])c2)c2ncnn21 ZINC000617424655 345529604 /nfs/dbraw/zinc/52/96/04/345529604.db2.gz CDBZMNIIOKZWKM-LDYMZIIASA-N -1 3 258.281 1.420 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)c1 ZINC000617431357 345532942 /nfs/dbraw/zinc/53/29/42/345532942.db2.gz XQISDGZEGPZVSX-GXSJLCMTSA-N -1 3 272.308 1.728 10 0 CDAEHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C#N)nc2)o1 ZINC000383704353 345696637 /nfs/dbraw/zinc/69/66/37/345696637.db2.gz CWEQZESNRIIWAX-UHFFFAOYSA-N -1 3 292.320 1.037 10 0 CDAEHM C[C@@H]1C[C@H](NC(=O)c2c([O-])cc(F)cc2F)CCN1C ZINC000608443284 345757125 /nfs/dbraw/zinc/75/71/25/345757125.db2.gz IEEPHYUITLTVEU-PSASIEDQSA-N -1 3 284.306 1.883 10 0 CDAEHM CCN(C(=O)c1c([O-])cc(F)cc1F)[C@@H]1CCN(C)C1 ZINC000617553601 345849133 /nfs/dbraw/zinc/84/91/33/345849133.db2.gz LVIDPWHQYGEHOH-SNVBAGLBSA-N -1 3 284.306 1.837 10 0 CDAEHM O=C(Cc1cncc([O-])c1)NC[C@@H]1CCc2cccnc21 ZINC000623320648 346039145 /nfs/dbraw/zinc/03/91/45/346039145.db2.gz YPTHBUOLUJRDLK-ZDUSSCGKSA-N -1 3 283.331 1.571 10 0 CDAEHM COc1cc(=NC(=O)c2ocnc2C(F)F)[n-]n1C ZINC000626500849 346179168 /nfs/dbraw/zinc/17/91/68/346179168.db2.gz QMYBJQNVOFSLSC-UHFFFAOYSA-N -1 3 272.211 1.029 10 0 CDAEHM CCCN(CCN(C)C)C(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000085414636 179058168 /nfs/dbraw/zinc/05/81/68/179058168.db2.gz UATRSJZYYDYRIG-MNOVXSKESA-N -1 3 270.373 1.143 10 0 CDAEHM CN(C)c1ccncc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000085410680 179056446 /nfs/dbraw/zinc/05/64/46/179056446.db2.gz HMAAXCGVDLUFLD-QWRGUYRKSA-N -1 3 277.324 1.443 10 0 CDAEHM Cc1cn2ccnc(C(=O)[N-]c3n[nH]c(C4CCC4)n3)c2n1 ZINC000584786380 346433708 /nfs/dbraw/zinc/43/37/08/346433708.db2.gz YFPRYBGEFBVEHP-UHFFFAOYSA-N -1 3 297.322 1.676 10 0 CDAEHM C[C@@H]1CCn2ncc(-c3nc(-c4cc(=O)[n-]cn4)no3)c2C1 ZINC000351369296 346443343 /nfs/dbraw/zinc/44/33/43/346443343.db2.gz LOSXHRPTKBXARH-MRVPVSSYSA-N -1 3 298.306 1.678 10 0 CDAEHM CC(C)[C@@H](O)[C@@H](NC(=O)c1c[n-]nn1)c1ccccc1 ZINC000619912378 349963267 /nfs/dbraw/zinc/96/32/67/349963267.db2.gz UWYHZCZZUDNKKD-QWHCGFSZSA-N -1 3 274.324 1.293 10 0 CDAEHM CC(C)[C@@H](O)[C@@H](NC(=O)c1cnn[n-]1)c1ccccc1 ZINC000619912378 349963268 /nfs/dbraw/zinc/96/32/68/349963268.db2.gz UWYHZCZZUDNKKD-QWHCGFSZSA-N -1 3 274.324 1.293 10 0 CDAEHM CC(C)[C@@H](O)[C@@H](NC(=O)c1cn[n-]n1)c1ccccc1 ZINC000619912378 349963269 /nfs/dbraw/zinc/96/32/69/349963269.db2.gz UWYHZCZZUDNKKD-QWHCGFSZSA-N -1 3 274.324 1.293 10 0 CDAEHM CCCCC[C@H](C)[C@H](C)NC(=O)[C@H](N)CC(=O)[O-] ZINC000584600813 346496822 /nfs/dbraw/zinc/49/68/22/346496822.db2.gz YKHDJKZXBBJNHD-GARJFASQSA-N -1 3 258.362 1.510 10 0 CDAEHM CCC[C@@H](NC(=O)[C@H](N)CC(=O)[O-])c1ccccc1 ZINC000085813977 179178722 /nfs/dbraw/zinc/17/87/22/179178722.db2.gz JWNOZAGBRSVORB-VXGBXAGGSA-N -1 3 264.325 1.446 10 0 CDAEHM CC(C)Oc1ccc(NC(=O)[C@H](N)CC(=O)[O-])cc1 ZINC000085811572 179177386 /nfs/dbraw/zinc/17/73/86/179177386.db2.gz NIFOGWRUXVXGIK-LLVKDONJSA-N -1 3 266.297 1.214 10 0 CDAEHM CN(C(=O)[C@H](N)CCC(=O)[O-])C1CCCCCC1 ZINC000085819044 179182230 /nfs/dbraw/zinc/18/22/30/179182230.db2.gz ZATWIVNTMKFEGL-LLVKDONJSA-N -1 3 256.346 1.360 10 0 CDAEHM CC(C)[C@H](NC(=O)[C@H](N)CCC(=O)[O-])c1cccs1 ZINC000085819615 179183120 /nfs/dbraw/zinc/18/31/20/179183120.db2.gz XNXKCIYGPOQZMV-SKDRFNHKSA-N -1 3 284.381 1.754 10 0 CDAEHM CCCC1CCN(C(=O)[C@@H](N)CCC(=O)[O-])CC1 ZINC000085843940 179185790 /nfs/dbraw/zinc/18/57/90/179185790.db2.gz RMQBICGOHDSUDB-NSHDSACASA-N -1 3 256.346 1.217 10 0 CDAEHM CCC(=O)Nc1cccc(NC(=O)[C@H](N)CC(=O)[O-])c1C ZINC000085814705 179179062 /nfs/dbraw/zinc/17/90/62/179179062.db2.gz QNBBHUQVDDSPKY-SECBINFHSA-N -1 3 293.323 1.084 10 0 CDAEHM CC[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H](N)CC(=O)[O-] ZINC000085815462 179179457 /nfs/dbraw/zinc/17/94/57/179179457.db2.gz OMAGJJGOTJCFLA-YPMHNXCESA-N -1 3 278.352 1.616 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000085814195 179179612 /nfs/dbraw/zinc/17/96/12/179179612.db2.gz CNANXRVREIZVBE-YPMHNXCESA-N -1 3 262.309 1.056 10 0 CDAEHM CCN(C(=O)[C@@H](N)CC(=O)[O-])c1cccc(C)c1 ZINC000085816958 179180380 /nfs/dbraw/zinc/18/03/80/179180380.db2.gz AYAWKJZEWBULIY-NSHDSACASA-N -1 3 250.298 1.150 10 0 CDAEHM CC[C@@H](NC(=O)[C@@H](N)CC(=O)[O-])c1ccccc1 ZINC000085817862 179181207 /nfs/dbraw/zinc/18/12/07/179181207.db2.gz FEWKJVFMEVHWNW-WDEREUQCSA-N -1 3 250.298 1.056 10 0 CDAEHM CCc1ncsc1[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000612745589 347268341 /nfs/dbraw/zinc/26/83/41/347268341.db2.gz LLUUJBJSDORCCK-UHFFFAOYSA-N -1 3 280.357 1.699 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CC[C@@H](O)C(F)(F)C1 ZINC000617820011 347715732 /nfs/dbraw/zinc/71/57/32/347715732.db2.gz SHKPAPJGSWNINV-SNVBAGLBSA-N -1 3 257.236 1.234 10 0 CDAEHM Cc1cc(=NC(=O)c2ncc[n-]2)[nH]n1[C@@H](C)C1CC1 ZINC000613434662 347726983 /nfs/dbraw/zinc/72/69/83/347726983.db2.gz HZOULCIXSZUACA-VIFPVBQESA-N -1 3 259.313 1.560 10 0 CDAEHM O=C(c1cncc([O-])c1)N1CC[C@H](N2CCC2)[C@H](F)C1 ZINC000614099154 348000603 /nfs/dbraw/zinc/00/06/03/348000603.db2.gz VFMUTFUUKBZHMH-OLZOCXBDSA-N -1 3 279.315 1.046 10 0 CDAEHM CSc1ccc([O-])c(C(=O)N2CC(=O)N(C)[C@H](C)C2)c1 ZINC000614489858 348126296 /nfs/dbraw/zinc/12/62/96/348126296.db2.gz DJDRZQUJUIZFGD-SECBINFHSA-N -1 3 294.376 1.417 10 0 CDAEHM Cc1ccc(C(=O)N[C@H]2C[C@H](O)C23CCC3)c([O-])c1 ZINC000619078655 348192393 /nfs/dbraw/zinc/19/23/93/348192393.db2.gz TXCAJYUNBOOVOV-STQMWFEESA-N -1 3 261.321 1.734 10 0 CDAEHM COCc1nc(C(=O)[N-]c2ncc(CCO)s2)co1 ZINC000614912934 348269046 /nfs/dbraw/zinc/26/90/46/348269046.db2.gz PZGBJXPTCCZBTA-UHFFFAOYSA-N -1 3 283.309 1.065 10 0 CDAEHM CSc1ccc([O-])c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1 ZINC000615182529 348375692 /nfs/dbraw/zinc/37/56/92/348375692.db2.gz KFEJETYNCXYDOW-GWCFXTLKSA-N -1 3 292.404 1.890 10 0 CDAEHM CCO[C@H](C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616021252 349247869 /nfs/dbraw/zinc/24/78/69/349247869.db2.gz XRKPRRJOTTZAJW-SNVBAGLBSA-N -1 3 274.320 1.982 10 0 CDAEHM Cc1cc(Cl)ccc1OC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000090996963 180083364 /nfs/dbraw/zinc/08/33/64/180083364.db2.gz NKYFLWGBNJXCGZ-QMMMGPOBSA-N -1 3 282.683 1.152 10 0 CDAEHM CNC(=O)[C@H]1CCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000271311608 191066264 /nfs/dbraw/zinc/06/62/64/191066264.db2.gz SNLKKHOYWDCCCI-CYBMUJFWSA-N -1 3 290.363 1.866 10 0 CDAEHM O=C(NC1CCC2(CC1)OCCO2)c1cccc([O-])c1 ZINC000091852833 180272958 /nfs/dbraw/zinc/27/29/58/180272958.db2.gz LVMAPGHXBIDOOI-UHFFFAOYSA-N -1 3 277.320 1.808 10 0 CDAEHM COCC1(C(=O)N=c2cc(OC)n(C)[n-]2)CCCCC1 ZINC000621958791 350891182 /nfs/dbraw/zinc/89/11/82/350891182.db2.gz YJQPFMLLDWEAEF-UHFFFAOYSA-N -1 3 281.356 1.386 10 0 CDAEHM CC(C)C[C@H](CO)N(C)C(=O)c1cc(F)c[n-]c1=O ZINC000621958340 350891494 /nfs/dbraw/zinc/89/14/94/350891494.db2.gz CGSGZMOZHBOJAB-SNVBAGLBSA-N -1 3 270.304 1.405 10 0 CDAEHM CN(CCC(N)=O)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622051736 350954948 /nfs/dbraw/zinc/95/49/48/350954948.db2.gz PBTHHLWIOMUTRD-UHFFFAOYSA-N -1 3 290.241 1.358 10 0 CDAEHM CC(C)CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291587096 198043507 /nfs/dbraw/zinc/04/35/07/198043507.db2.gz QPGDHBLASODXOA-UHFFFAOYSA-N -1 3 277.324 1.567 10 0 CDAEHM O=C(c1cccc2[n-]nnc21)N1CC2(C1)CCCOC2 ZINC000644458638 366073550 /nfs/dbraw/zinc/07/35/50/366073550.db2.gz IIZMNUCHLVLILI-UHFFFAOYSA-N -1 3 272.308 1.211 10 0 CDAEHM O=C(c1cccc2nn[n-]c21)N1CC2(C1)CCCOC2 ZINC000644458638 366073557 /nfs/dbraw/zinc/07/35/57/366073557.db2.gz IIZMNUCHLVLILI-UHFFFAOYSA-N -1 3 272.308 1.211 10 0 CDAEHM O=C(c1cccc2n[n-]nc21)N1CC2(C1)CCCOC2 ZINC000644458638 366073564 /nfs/dbraw/zinc/07/35/64/366073564.db2.gz IIZMNUCHLVLILI-UHFFFAOYSA-N -1 3 272.308 1.211 10 0 CDAEHM CN(C)c1ncc(CNCc2ncccc2[O-])s1 ZINC000355331708 366075044 /nfs/dbraw/zinc/07/50/44/366075044.db2.gz MKRVBXXDSITHTC-UHFFFAOYSA-N -1 3 264.354 1.600 10 0 CDAEHM CCc1cc(C(=O)NCc2ncccc2[O-])ccc1O ZINC000487558245 366079411 /nfs/dbraw/zinc/07/94/11/366079411.db2.gz JKEZTDYIRDEPQX-UHFFFAOYSA-N -1 3 272.304 1.985 10 0 CDAEHM C[C@@H]1CCN(Cc2nc(=O)[n-][nH]2)[C@H]1c1cccc(F)c1 ZINC000271612107 191239740 /nfs/dbraw/zinc/23/97/40/191239740.db2.gz KVPKFOMOUMVCEQ-NOZJJQNGSA-N -1 3 276.315 1.820 10 0 CDAEHM C[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000158814057 188395690 /nfs/dbraw/zinc/39/56/90/188395690.db2.gz DVFJLGOVRNOAOW-IUCAKERBSA-N -1 3 261.318 1.121 10 0 CDAEHM CC1CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC000336317173 363350383 /nfs/dbraw/zinc/35/03/83/363350383.db2.gz SPMLBLOCFGEQGZ-UHFFFAOYSA-N -1 3 278.258 1.898 10 0 CDAEHM CCCN1CCCC[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000236761366 366199306 /nfs/dbraw/zinc/19/93/06/366199306.db2.gz UKGXRPSXFKYPEG-CHWSQXEVSA-N -1 3 284.400 1.866 10 0 CDAEHM CCO[C@H](C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)C(C)C ZINC000628032317 356395079 /nfs/dbraw/zinc/39/50/79/356395079.db2.gz VRCQFOUOSPPJNO-YPMHNXCESA-N -1 3 281.356 1.683 10 0 CDAEHM [O-]c1cc2n[nH]cc2c(I)c1 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CC(C)(C)C(=O)C[N-]S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000632220158 357555582 /nfs/dbraw/zinc/55/55/82/357555582.db2.gz DJYGCMNZKDNVOM-QMMMGPOBSA-N -1 3 283.340 1.566 10 0 CDAEHM COc1cccc(C(=O)N2CCC[C@@H](O)[C@H]2C)c1[O-] ZINC000296295784 357660918 /nfs/dbraw/zinc/66/09/18/357660918.db2.gz ZMYQQBYUBDAPQI-MWLCHTKSSA-N -1 3 265.309 1.386 10 0 CDAEHM CO[C@@H](C(=O)[N-]c1ncnn1-c1ccccc1)C1CCC1 ZINC000622822240 357864345 /nfs/dbraw/zinc/86/43/45/357864345.db2.gz DTMNBPLUYTWOIE-CYBMUJFWSA-N -1 3 286.335 1.443 10 0 CDAEHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000188543697 357909875 /nfs/dbraw/zinc/90/98/75/357909875.db2.gz HAVUQTPMGNIVOM-XPUUQOCRSA-N -1 3 295.792 1.084 10 0 CDAEHM CN(C)c1nc(C(=O)N2CC3(C2)CCCC3)cc(=O)[n-]1 ZINC000559028150 358064389 /nfs/dbraw/zinc/06/43/89/358064389.db2.gz UVZQMQNOHMKCLQ-UHFFFAOYSA-N -1 3 276.340 1.264 10 0 CDAEHM Cc1ccc([O-])c(CN2CC[C@H](C)S(=O)(=O)CC2)n1 ZINC000277307239 366398817 /nfs/dbraw/zinc/39/88/17/366398817.db2.gz BKSKWPVDDBHPQP-NSHDSACASA-N 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ZINC000178191620 189096470 /nfs/dbraw/zinc/09/64/70/189096470.db2.gz VJASKBFMBQZMHC-QMMMGPOBSA-N -1 3 260.297 1.180 10 0 CDAEHM Cc1ccc([O-])c(CNCC(=O)Nc2cccc(F)c2)n1 ZINC000348799659 360627052 /nfs/dbraw/zinc/62/70/52/360627052.db2.gz WPUZLHPSVSEGFT-UHFFFAOYSA-N -1 3 289.310 1.963 10 0 CDAEHM Cc1cccc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c1[O-] ZINC000408410086 360851858 /nfs/dbraw/zinc/85/18/58/360851858.db2.gz JHOLVHHPTZOPLY-ZIAGYGMSSA-N -1 3 290.363 1.246 10 0 CDAEHM CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000338771344 361000628 /nfs/dbraw/zinc/00/06/28/361000628.db2.gz RYIMTTBDCFACND-QWRGUYRKSA-N -1 3 292.383 1.947 10 0 CDAEHM CC1CCC(CNC(=O)c2cc(=O)[n-]c(N(C)C)n2)CC1 ZINC000338767877 361014859 /nfs/dbraw/zinc/01/48/59/361014859.db2.gz WJJOQDGABRZJKP-UHFFFAOYSA-N -1 3 292.383 1.804 10 0 CDAEHM CN(C)c1nc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc(=O)[n-]1 ZINC000338769755 361016727 /nfs/dbraw/zinc/01/67/27/361016727.db2.gz PKCVXQXEJPPTCW-NWDGAFQWSA-N -1 3 298.346 1.534 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOC[C@H]2C)o1 ZINC000335882107 361047831 /nfs/dbraw/zinc/04/78/31/361047831.db2.gz GLAWETJKYNUUPW-PSASIEDQSA-N -1 3 259.327 1.291 10 0 CDAEHM Cc1ncoc1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000431854634 361058982 /nfs/dbraw/zinc/05/89/82/361058982.db2.gz OZZGRRIPAOAMAT-UHFFFAOYSA-N -1 3 269.264 1.442 10 0 CDAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2CCOC[C@H]2C)c1 ZINC000432294786 361136466 /nfs/dbraw/zinc/13/64/66/361136466.db2.gz TXDPAFFEKGEWOW-MNOVXSKESA-N -1 3 287.385 1.167 10 0 CDAEHM NC(=O)c1csc(=NCCc2c(F)cccc2F)[n-]1 ZINC000432341315 361150189 /nfs/dbraw/zinc/15/01/89/361150189.db2.gz WDIOMCRQDIKNER-UHFFFAOYSA-N -1 3 283.303 1.597 10 0 CDAEHM C[C@H]1OCC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000235597433 361123347 /nfs/dbraw/zinc/12/33/47/361123347.db2.gz PYNYVYUEHPJGKJ-RDDDGLTNSA-N -1 3 255.701 1.953 10 0 CDAEHM CCC(F)(F)CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000628841161 361192373 /nfs/dbraw/zinc/19/23/73/361192373.db2.gz LGEJYZNAVCRFIL-UHFFFAOYSA-N -1 3 272.230 1.872 10 0 CDAEHM CCC(F)(F)CNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000628841161 361192378 /nfs/dbraw/zinc/19/23/78/361192378.db2.gz LGEJYZNAVCRFIL-UHFFFAOYSA-N -1 3 272.230 1.872 10 0 CDAEHM CCC(F)(F)CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000628841161 361192382 /nfs/dbraw/zinc/19/23/82/361192382.db2.gz LGEJYZNAVCRFIL-UHFFFAOYSA-N -1 3 272.230 1.872 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1CCc2cccnc21)c1ccccn1 ZINC000632734959 361196173 /nfs/dbraw/zinc/19/61/73/361196173.db2.gz UNDBZBUJLBWHOK-LBPRGKRZSA-N -1 3 289.360 1.485 10 0 CDAEHM C[C@@H](F)CC[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000339032438 361226285 /nfs/dbraw/zinc/22/62/85/361226285.db2.gz BJHNLVJXSYDSQM-SSDOTTSWSA-N -1 3 266.725 1.761 10 0 CDAEHM C[C@@H](F)CC[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000339034876 361227660 /nfs/dbraw/zinc/22/76/60/361227660.db2.gz SIXLVIUKXQOLDB-SSDOTTSWSA-N -1 3 285.291 1.175 10 0 CDAEHM CCc1ccc([O-])c(C(=O)NC[C@@H]2COCCN2C)c1 ZINC000628916948 361295010 /nfs/dbraw/zinc/29/50/10/361295010.db2.gz HVNYHYKHTDBQTO-GFCCVEGCSA-N -1 3 278.352 1.015 10 0 CDAEHM CC(C)(C)OC(=O)N1CCC(CCc2nnn[n-]2)CC1 ZINC000408494448 361395976 /nfs/dbraw/zinc/39/59/76/361395976.db2.gz RQLZJLRTVVDBSV-UHFFFAOYSA-N -1 3 281.360 1.779 10 0 CDAEHM CC(C)(C)OC(=O)N1CCC(CCc2nn[n-]n2)CC1 ZINC000408494448 361395981 /nfs/dbraw/zinc/39/59/81/361395981.db2.gz RQLZJLRTVVDBSV-UHFFFAOYSA-N -1 3 281.360 1.779 10 0 CDAEHM CC1(C(=O)CNC(=O)c2cc(=O)[n-]cn2)CCCC1 ZINC000629004268 361400604 /nfs/dbraw/zinc/40/06/04/361400604.db2.gz DFWQXWZDWCQSTE-UHFFFAOYSA-N -1 3 263.297 1.061 10 0 CDAEHM CCCCn1c(=O)[n-]nc1SCc1cncc(OC)n1 ZINC000629100553 361516528 /nfs/dbraw/zinc/51/65/28/361516528.db2.gz OBBIIOCGPHRTMQ-UHFFFAOYSA-N -1 3 295.368 1.875 10 0 CDAEHM O=C(NCc1noc(C2CC2)n1)c1c([O-])cccc1O ZINC000436645666 361549317 /nfs/dbraw/zinc/54/93/17/361549317.db2.gz DTGRICVRYWWREO-UHFFFAOYSA-N -1 3 275.264 1.288 10 0 CDAEHM COc1cc(C(=O)N(C)[C@H]2C[C@@H](OC)C2)cc(OC)c1[O-] ZINC000286139428 239139333 /nfs/dbraw/zinc/13/93/33/239139333.db2.gz XLBWVLJTSFJDKV-PHIMTYICSA-N -1 3 295.335 1.659 10 0 CDAEHM O=C([N-]O[C@H]1CCCCO1)[C@@H]1CCCc2[nH]ncc21 ZINC000135224631 361705609 /nfs/dbraw/zinc/70/56/09/361705609.db2.gz OFPRYXBYCFHRFS-SKDRFNHKSA-N -1 3 265.313 1.404 10 0 CDAEHM CCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000336620644 363878064 /nfs/dbraw/zinc/87/80/64/363878064.db2.gz FKEGPUOJWYJDBR-UHFFFAOYSA-N -1 3 258.115 1.833 10 0 CDAEHM O=C(NC[C@@H]1Cc2ccccc2CO1)c1csc(=O)[n-]1 ZINC000628360850 364045972 /nfs/dbraw/zinc/04/59/72/364045972.db2.gz JXHSUIDEZCVGPL-NSHDSACASA-N -1 3 290.344 1.720 10 0 CDAEHM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000295368912 364058204 /nfs/dbraw/zinc/05/82/04/364058204.db2.gz SKSDVCRSPWKBJU-SECBINFHSA-N -1 3 290.772 1.581 10 0 CDAEHM Cc1ccc([O-])c(CNCC2([S@](C)=O)CC2)n1 ZINC000282369939 364083904 /nfs/dbraw/zinc/08/39/04/364083904.db2.gz NUYNRVBWHLVOEC-KRWDZBQOSA-N -1 3 254.355 1.096 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1[O-] ZINC000436846196 364448747 /nfs/dbraw/zinc/44/87/47/364448747.db2.gz GKADPLJMYGXDSH-UWVGGRQHSA-N -1 3 277.320 1.844 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282.287 1.537 10 0 CDAEHM c1[n-][nH]c2ncnc(=N[C@@H](C3CC3)C3CCOCC3)c1-2 ZINC000651403779 397988019 /nfs/dbraw/zinc/98/80/19/397988019.db2.gz AFWIKDFJFGTCFH-LBPRGKRZSA-N -1 3 273.340 1.344 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2CCSC[C@@H]2CCO)c1 ZINC000334241971 292163409 /nfs/dbraw/zinc/16/34/09/292163409.db2.gz PZEHAOVEDNIGAG-NSHDSACASA-N -1 3 281.377 1.641 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)COc2ccccc2)n[n-]1 ZINC000119768195 147328204 /nfs/dbraw/zinc/32/82/04/147328204.db2.gz WYJVOUGHGLHYGI-UHFFFAOYSA-N -1 3 297.318 1.828 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)COc2ccccc2)[n-]n1 ZINC000119768195 147328209 /nfs/dbraw/zinc/32/82/09/147328209.db2.gz WYJVOUGHGLHYGI-UHFFFAOYSA-N -1 3 297.318 1.828 10 0 CDAEHM CC(=O)c1ccccc1C(=O)NCc1ncccc1[O-] ZINC000352501310 155230646 /nfs/dbraw/zinc/23/06/46/155230646.db2.gz NRPNPVZDUJDETI-UHFFFAOYSA-N -1 3 270.288 1.920 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1ccnn1CC(F)F ZINC000352506141 155235886 /nfs/dbraw/zinc/23/58/86/155235886.db2.gz DTAUVQPAQGXKPH-UHFFFAOYSA-N -1 3 282.250 1.179 10 0 CDAEHM CCCn1cc(C(=O)NCc2ncccc2[O-])cn1 ZINC000352511794 155239250 /nfs/dbraw/zinc/23/92/50/155239250.db2.gz ZMMGFFQSIGAROW-UHFFFAOYSA-N -1 3 260.297 1.324 10 0 CDAEHM O=S(=O)([N-]C1CCC1)c1cnccc1C(F)(F)F ZINC000334885025 150033319 /nfs/dbraw/zinc/03/33/19/150033319.db2.gz CBIVLOUVGRYMQL-UHFFFAOYSA-N -1 3 280.271 1.931 10 0 CDAEHM COC(=O)c1cc(C(=O)N=c2ccn(C(C)C)[nH]2)c[n-]1 ZINC000352581863 155284534 /nfs/dbraw/zinc/28/45/34/155284534.db2.gz AFRNIMMADYELSJ-UHFFFAOYSA-N -1 3 276.296 1.253 10 0 CDAEHM CCN(C)S(=O)(=O)[N-]c1cc(C)n([C@@H](C)C2CC2)n1 ZINC000342458303 151839833 /nfs/dbraw/zinc/83/98/33/151839833.db2.gz TVLUJTQCSIOFIK-JTQLQIEISA-N -1 3 286.401 1.771 10 0 CDAEHM CC(C)(C)CCS(=O)(=O)[N-]Cc1noc(C2CC2)n1 ZINC000343096433 152029452 /nfs/dbraw/zinc/02/94/52/152029452.db2.gz NCROOKBHECQIIU-UHFFFAOYSA-N -1 3 287.385 1.803 10 0 CDAEHM COc1nc(NC(=O)Cc2coc3cc(F)ccc23)n[n-]1 ZINC000352684441 155362165 /nfs/dbraw/zinc/36/21/65/155362165.db2.gz MAHFTIFSYFNODT-UHFFFAOYSA-N -1 3 290.254 1.880 10 0 CDAEHM COc1nnc(NC(=O)Cc2coc3cc(F)ccc23)[n-]1 ZINC000352684441 155362169 /nfs/dbraw/zinc/36/21/69/155362169.db2.gz MAHFTIFSYFNODT-UHFFFAOYSA-N -1 3 290.254 1.880 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2coc3cc(F)ccc23)n1 ZINC000352684441 155362170 /nfs/dbraw/zinc/36/21/70/155362170.db2.gz MAHFTIFSYFNODT-UHFFFAOYSA-N -1 3 290.254 1.880 10 0 CDAEHM CC(C)OCCCCNC(=O)NCc1ncccc1[O-] ZINC000349893669 154260528 /nfs/dbraw/zinc/26/05/28/154260528.db2.gz NVTTXTZJERVGTO-UHFFFAOYSA-N -1 3 281.356 1.792 10 0 CDAEHM CO[C@@H]1CCCC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000352212718 155027566 /nfs/dbraw/zinc/02/75/66/155027566.db2.gz RKNXDOJZWMCIMB-ZWNOBZJWSA-N -1 3 264.325 1.609 10 0 CDAEHM CCC(C)(C)NC(=O)CSc1n[n-]c(COC)n1 ZINC000353828310 156108428 /nfs/dbraw/zinc/10/84/28/156108428.db2.gz IODXEDUPVQJQFT-UHFFFAOYSA-N -1 3 272.374 1.348 10 0 CDAEHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@H]1C)CO2 ZINC000375547341 160391498 /nfs/dbraw/zinc/39/14/98/160391498.db2.gz ZRRRTPZZBLAHOO-SUHUHFCYSA-N -1 3 297.376 1.525 10 0 CDAEHM COc1ncc(C(=O)NCc2ncccc2[O-])cc1Cl ZINC000355436222 157051810 /nfs/dbraw/zinc/05/18/10/157051810.db2.gz QHYPWTCQMXAQSL-UHFFFAOYSA-N -1 3 293.710 1.774 10 0 CDAEHM CCCCS(=O)(=O)[N-][C@@H](c1nc[nH]n1)c1ccccc1 ZINC000372875278 160154656 /nfs/dbraw/zinc/15/46/56/160154656.db2.gz AFCDHDARCXPAST-GFCCVEGCSA-N -1 3 294.380 1.614 10 0 CDAEHM O=C([N-]Cc1noc(-c2cccc(F)c2)n1)C(F)F ZINC000373596088 160213896 /nfs/dbraw/zinc/21/38/96/160213896.db2.gz UADXAJVQFWKSIY-UHFFFAOYSA-N -1 3 271.198 1.757 10 0 CDAEHM CC[C@H](C)[N-]S(=O)(=O)c1cc(N)c(F)cc1F ZINC000021501978 171305737 /nfs/dbraw/zinc/30/57/37/171305737.db2.gz VNVKGMFZDPYKCX-LURJTMIESA-N -1 3 264.297 1.624 10 0 CDAEHM CN(C(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])C1CCN(C)CC1 ZINC000022218224 171376246 /nfs/dbraw/zinc/37/62/46/171376246.db2.gz WOUSNOQIFRXXED-CHWSQXEVSA-N -1 3 280.368 1.206 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000655393107 412169264 /nfs/dbraw/zinc/16/92/64/412169264.db2.gz 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C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC000071208761 176081782 /nfs/dbraw/zinc/08/17/82/176081782.db2.gz SSABOUMLLYXDDH-APPZFPTMSA-N -1 3 275.761 1.597 10 0 CDAEHM CNC(C)(C)C(=O)Nc1ccc(C(=O)[O-])cc1Cl ZINC000071392082 176148978 /nfs/dbraw/zinc/14/89/78/176148978.db2.gz CODGHFXWIBFPQL-UHFFFAOYSA-N -1 3 270.716 1.975 10 0 CDAEHM C[C@H](CN=c1[n-]ncs1)N(C)Cc1ccccc1 ZINC000390713528 262243832 /nfs/dbraw/zinc/24/38/32/262243832.db2.gz ZXUZNBDOAKOEGG-LLVKDONJSA-N -1 3 262.382 1.892 10 0 CDAEHM COc1ncccc1[N-]S(=O)(=O)N1CCC[C@H]1C ZINC000185199414 262301784 /nfs/dbraw/zinc/30/17/84/262301784.db2.gz JANBAABTBPFYGD-SECBINFHSA-N -1 3 271.342 1.231 10 0 CDAEHM O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1c[n-]nn1 ZINC000362044093 423777327 /nfs/dbraw/zinc/77/73/27/423777327.db2.gz IVSMXZLHOLLDKU-MRVPVSSYSA-N -1 3 299.117 1.975 10 0 CDAEHM O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1cnn[n-]1 ZINC000362044093 423777338 /nfs/dbraw/zinc/77/73/38/423777338.db2.gz IVSMXZLHOLLDKU-MRVPVSSYSA-N -1 3 299.117 1.975 10 0 CDAEHM O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1cn[n-]n1 ZINC000362044093 423777348 /nfs/dbraw/zinc/77/73/48/423777348.db2.gz IVSMXZLHOLLDKU-MRVPVSSYSA-N -1 3 299.117 1.975 10 0 CDAEHM O=S(=O)([N-][C@@H](C1CC1)[C@@H]1CCCCO1)c1c[nH]cn1 ZINC000655623930 424203380 /nfs/dbraw/zinc/20/33/80/424203380.db2.gz BKCPFSJODFDDSO-JQWIXIFHSA-N -1 3 285.369 1.036 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CCC(C3(O)CC3)CC2)c1 ZINC000652667817 424620220 /nfs/dbraw/zinc/62/02/20/424620220.db2.gz DOLHMGSQVXZBDU-UHFFFAOYSA-N -1 3 291.347 1.778 10 0 CDAEHM Cc1cccc(C(=O)Nc2nc(C(N)=O)cs2)c1[O-] ZINC000173065625 270244615 /nfs/dbraw/zinc/24/46/15/270244615.db2.gz QCJXVGDPNBKHKQ-UHFFFAOYSA-N -1 3 277.305 1.508 10 0 CDAEHM C[C@@H]1COCC[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000192790989 270300042 /nfs/dbraw/zinc/30/00/42/270300042.db2.gz UQHAORMXBNJLLH-MWLCHTKSSA-N -1 3 267.300 1.820 10 0 CDAEHM COc1ccc(C(=O)N2C[C@@H](O)CC[C@@H]2C)c([O-])c1 ZINC000399241259 270371855 /nfs/dbraw/zinc/37/18/55/270371855.db2.gz IUQWQROKPJMRFX-UWVGGRQHSA-N -1 3 265.309 1.386 10 0 CDAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@H]1CCCS1 ZINC000527208669 270676408 /nfs/dbraw/zinc/67/64/08/270676408.db2.gz DDHZYVATFLOCLB-NXEZZACHSA-N -1 3 267.354 1.517 10 0 CDAEHM C[C@@H](C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cnn(C)c1 ZINC000527499826 270691169 /nfs/dbraw/zinc/69/11/69/270691169.db2.gz AAAFEMOEKGFWBQ-SKDRFNHKSA-N -1 3 289.339 1.159 10 0 CDAEHM COc1cc(C(=O)N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)ccc1[O-] ZINC000529987106 271086753 /nfs/dbraw/zinc/08/67/53/271086753.db2.gz YLGOGDCJAQCXDQ-YCWTYVPXSA-N -1 3 279.336 1.943 10 0 CDAEHM CN(CC(=O)N1CCC(C(=O)[O-])CC1)CC1CC(C)(C)C1 ZINC000530164399 271121408 /nfs/dbraw/zinc/12/14/08/271121408.db2.gz WFCNPDRAUVCPIU-UHFFFAOYSA-N -1 3 296.411 1.678 10 0 CDAEHM O=C([O-])CN(Cc1cc(CO)ccc1F)C1CCC1 ZINC000530167013 271122024 /nfs/dbraw/zinc/12/20/24/271122024.db2.gz WAAZIPLHTIMDQD-UHFFFAOYSA-N -1 3 267.300 1.757 10 0 CDAEHM CC(C)OCCN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530166083 271122826 /nfs/dbraw/zinc/12/28/26/271122826.db2.gz XNZATUGNVPZBGV-GFCCVEGCSA-N -1 3 253.298 1.688 10 0 CDAEHM CO[C@@]1(C(=O)[O-])CCN(C/C=C/c2ccccc2)C1 ZINC000530171667 271129942 /nfs/dbraw/zinc/12/99/42/271129942.db2.gz RHHJPGSEFPCMLM-PXTSUWAFSA-N -1 3 261.321 1.875 10 0 CDAEHM CC(C)C[C@@H](CNC(=O)N1CC[C@H](N(C)C)C1)C(=O)[O-] ZINC000094706007 278986147 /nfs/dbraw/zinc/98/61/47/278986147.db2.gz PREPENRYNLMNRY-RYUDHWBXSA-N -1 3 285.388 1.079 10 0 CDAEHM Cc1cccc(C(=O)NCC(=O)NCc2ccco2)c1[O-] ZINC000078228705 279232923 /nfs/dbraw/zinc/23/29/23/279232923.db2.gz DAYAUKGWXSSLSH-UHFFFAOYSA-N -1 3 288.303 1.340 10 0 CDAEHM Cc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)n1C ZINC000120643628 279388322 /nfs/dbraw/zinc/38/83/22/279388322.db2.gz DIPOGUPFNVQYSY-UHFFFAOYSA-N -1 3 296.334 1.690 10 0 CDAEHM Cc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)n1C ZINC000120643628 279388324 /nfs/dbraw/zinc/38/83/24/279388324.db2.gz DIPOGUPFNVQYSY-UHFFFAOYSA-N -1 3 296.334 1.690 10 0 CDAEHM COc1cc(=NC(=O)N2CCSC[C@@H](C)C2)[n-]n1C ZINC000517271321 280994821 /nfs/dbraw/zinc/99/48/21/280994821.db2.gz SCQILMXDRKBIIM-VIFPVBQESA-N -1 3 284.385 1.067 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000517729657 281011270 /nfs/dbraw/zinc/01/12/70/281011270.db2.gz IYSWBNFJYSQRSY-IWSPIJDZSA-N -1 3 263.297 1.571 10 0 CDAEHM COc1cc(=NC(=O)[C@@H]2CCC[C@@H](F)C2)[n-]n1C ZINC000521228595 281070102 /nfs/dbraw/zinc/07/01/02/281070102.db2.gz FIPATJFXVGIBPN-RKDXNWHRSA-N -1 3 255.293 1.317 10 0 CDAEHM CC1CCN(CC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)CC1 ZINC000527499382 281145521 /nfs/dbraw/zinc/14/55/21/281145521.db2.gz AKIQERVXDGBKHM-CYBMUJFWSA-N -1 3 292.383 1.354 10 0 CDAEHM Cc1ccc(CC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cn1 ZINC000527499659 281145721 /nfs/dbraw/zinc/14/57/21/281145721.db2.gz QSPZTJZTXHSNTG-CYBMUJFWSA-N -1 3 286.335 1.568 10 0 CDAEHM CCO[C@@]1(C)C[C@H]1NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000529855210 281373837 /nfs/dbraw/zinc/37/38/37/281373837.db2.gz BJITZMSZGIBKSM-DOMZBBRYSA-N -1 3 286.335 1.769 10 0 CDAEHM COc1cc(=NC(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)[n-]n1C ZINC000530547681 281541657 /nfs/dbraw/zinc/54/16/57/281541657.db2.gz NBYDILOAHYRAKB-MXWKQRLJSA-N -1 3 280.372 1.749 10 0 CDAEHM Cc1cc(CS(=O)(=O)[N-]CCOC(C)(C)C)on1 ZINC000531382826 281757794 /nfs/dbraw/zinc/75/77/94/281757794.db2.gz ISHZTTYTBCJSFO-UHFFFAOYSA-N -1 3 276.358 1.218 10 0 CDAEHM COc1cc(=NC(=O)c2c(OC)cccc2OC)[n-]n1C ZINC000548472166 289891993 /nfs/dbraw/zinc/89/19/93/289891993.db2.gz KALDVTSHHFHOGP-UHFFFAOYSA-N -1 3 291.307 1.120 10 0 CDAEHM COc1cc(=NC(=O)N[C@@H]2CCC[C@H](SC)C2)[n-]n1C ZINC000548494975 289895313 /nfs/dbraw/zinc/89/53/13/289895313.db2.gz RJKOFPPREYSKQS-ZJUUUORDSA-N -1 3 298.412 1.646 10 0 CDAEHM O=S(=O)([N-][C@@H]1CC2CCC1CC2)c1ccccn1 ZINC000550831350 289995497 /nfs/dbraw/zinc/99/54/97/289995497.db2.gz JUEZYHWMCNYONG-HTAVTVPLSA-N -1 3 266.366 1.939 10 0 CDAEHM COc1cc(=NC(=O)c2csc(C(C)=O)c2)[n-]n1C ZINC000551878645 290021269 /nfs/dbraw/zinc/02/12/69/290021269.db2.gz PZINAYNWUSRGET-UHFFFAOYSA-N -1 3 279.321 1.367 10 0 CDAEHM CO[C@H]1CCCC[C@@H]1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000551902768 290023926 /nfs/dbraw/zinc/02/39/26/290023926.db2.gz SFTCEJZXZMFDBX-GWCFXTLKSA-N -1 3 291.351 1.272 10 0 CDAEHM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000557982397 290376813 /nfs/dbraw/zinc/37/68/13/290376813.db2.gz PPMDUFDGRSKWCZ-MXWKQRLJSA-N -1 3 295.383 1.258 10 0 CDAEHM NC(=O)c1csc(=NCCc2ccc(F)c(F)c2)[n-]1 ZINC000559391729 290448745 /nfs/dbraw/zinc/44/87/45/290448745.db2.gz KJDQOZKRRKDKNX-UHFFFAOYSA-N -1 3 283.303 1.597 10 0 CDAEHM Cc1ccc([O-])c(CN[C@H]2C[C@H]3CCCCN3C2=O)n1 ZINC000562573887 290546969 /nfs/dbraw/zinc/54/69/69/290546969.db2.gz CUFIPVXTEUJFQP-NEPJUHHUSA-N -1 3 275.352 1.339 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2CCc3cccc(O)c32)[n-]1 ZINC000560350235 293024265 /nfs/dbraw/zinc/02/42/65/293024265.db2.gz LSBMRGBSQKSQAR-MRVPVSSYSA-N -1 3 274.280 1.187 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2CCc3cccc(O)c32)n[n-]1 ZINC000560350235 293024268 /nfs/dbraw/zinc/02/42/68/293024268.db2.gz LSBMRGBSQKSQAR-MRVPVSSYSA-N -1 3 274.280 1.187 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2CCc3cccc(O)c32)n1 ZINC000560350235 293024272 /nfs/dbraw/zinc/02/42/72/293024272.db2.gz LSBMRGBSQKSQAR-MRVPVSSYSA-N -1 3 274.280 1.187 10 0 CDAEHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)[C@H]1CCCOCC1 ZINC000562381891 293148234 /nfs/dbraw/zinc/14/82/34/293148234.db2.gz DTHYWSUBPPDLNK-LBPRGKRZSA-N -1 3 286.335 1.649 10 0 CDAEHM O=C(CNC(=O)c1ccc([O-])cc1)NC[C@@H]1C[C@H]1C1CC1 ZINC000562713294 293181680 /nfs/dbraw/zinc/18/16/80/293181680.db2.gz PKAZXXCAUKVPLE-JSGCOSHPSA-N -1 3 288.347 1.284 10 0 CDAEHM Cn1ccc(S(=O)(=O)[N-]CC2(C3CCC3)CCC2)n1 ZINC000563055311 293258889 /nfs/dbraw/zinc/25/88/89/293258889.db2.gz LYJRYJPQQZPONK-UHFFFAOYSA-N -1 3 283.397 1.669 10 0 CDAEHM C[C@](O)(CN1CC[C@@H](C(F)(F)F)C(C)(C)C1)C(=O)[O-] ZINC000564660216 293389473 /nfs/dbraw/zinc/38/94/73/293389473.db2.gz COXIXJDNBJAVNQ-KCJUWKMLSA-N -1 3 283.290 1.732 10 0 CDAEHM Cn1c(=O)ccc2ccc(N=c3ncnc4[nH][n-]cc3-4)cc21 ZINC000362679399 294140642 /nfs/dbraw/zinc/14/06/42/294140642.db2.gz FHSIZFXAMVXXPM-UHFFFAOYSA-N -1 3 292.302 1.322 10 0 CDAEHM O=C([O-])COCCN1CCS[C@@H]2CCCC[C@@H]21 ZINC000570934219 294337253 /nfs/dbraw/zinc/33/72/53/294337253.db2.gz ZPUQSNAOXPVNJD-WDEREUQCSA-N -1 3 259.371 1.448 10 0 CDAEHM O=C(NCc1ncccc1[O-])[C@@H]1CCCSC1 ZINC000570980932 294345656 /nfs/dbraw/zinc/34/56/56/294345656.db2.gz VPEZQZNVXZFVDI-SECBINFHSA-N -1 3 252.339 1.547 10 0 CDAEHM CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)OC ZINC000571204736 294389333 /nfs/dbraw/zinc/38/93/33/294389333.db2.gz SVRFIRKRZPMVHY-ZJUUUORDSA-N -1 3 289.353 1.536 10 0 CDAEHM CCc1cccc(C(=O)NCC[C@@](C)(O)COC)c1[O-] ZINC000573536529 294835883 /nfs/dbraw/zinc/83/58/83/294835883.db2.gz HNVHLNLRGOZQGJ-OAHLLOKOSA-N -1 3 281.352 1.472 10 0 CDAEHM CCC[C@@H](C)[C@H](CO)NC(=O)Cc1cncc([O-])c1 ZINC000574890291 295071517 /nfs/dbraw/zinc/07/15/17/295071517.db2.gz VEEVJFZOQCBSLS-MFKMUULPSA-N -1 3 266.341 1.243 10 0 CDAEHM C[C@H](C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1)C1CCC1 ZINC000576641970 317179326 /nfs/dbraw/zinc/17/93/26/317179326.db2.gz YXRBPCDGYOFREV-ONGXEEELSA-N -1 3 277.372 1.327 10 0 CDAEHM COc1cc(=NC(=O)c2cc[nH]c2C2CCC2)[n-]n1C ZINC000577683088 317380765 /nfs/dbraw/zinc/38/07/65/317380765.db2.gz FUVGEMJUENRCAJ-UHFFFAOYSA-N -1 3 274.324 1.699 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)c2cccc(O)c2)c1 ZINC000383515995 323670022 /nfs/dbraw/zinc/67/00/22/323670022.db2.gz QUNBDRHBJRWEMU-JTQLQIEISA-N -1 3 295.364 1.648 10 0 CDAEHM CC1(C)[C@H](O)CCN1C(=O)N=c1cc2ccccn2[n-]1 ZINC000579302639 324149445 /nfs/dbraw/zinc/14/94/45/324149445.db2.gz XEPVFDNDVXAJJE-LLVKDONJSA-N -1 3 274.324 1.133 10 0 CDAEHM CC(C)[C@@H](C)C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000579754729 324274662 /nfs/dbraw/zinc/27/46/62/324274662.db2.gz SDZPHEJQMMWKGO-NXEZZACHSA-N -1 3 265.361 1.183 10 0 CDAEHM COc1cc(=NC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)[n-]n1C ZINC000582156928 324916924 /nfs/dbraw/zinc/91/69/24/324916924.db2.gz AZHJJFFWKRTZLL-OUAUKWLOSA-N -1 3 280.372 1.797 10 0 CDAEHM CCOC1(CNC(=O)N=c2cc(OC)n(C)[n-]2)CCCC1 ZINC000582947769 325074738 /nfs/dbraw/zinc/07/47/38/325074738.db2.gz ZMHILEQKWVXDID-UHFFFAOYSA-N -1 3 296.371 1.321 10 0 CDAEHM CC[N-]S(=O)(=O)c1c(OC)ccc2cccnc21 ZINC000521400618 333249979 /nfs/dbraw/zinc/24/99/79/333249979.db2.gz BNUAGJIGAIVWQZ-UHFFFAOYSA-N -1 3 266.322 1.542 10 0 CDAEHM CC[C@H](COCC1CC1)NC(=O)NCc1ncccc1[O-] ZINC000661502956 482409282 /nfs/dbraw/zinc/40/92/82/482409282.db2.gz XLVMEAVJFIOQSG-GFCCVEGCSA-N -1 3 293.367 1.792 10 0 CDAEHM CC(C)[C@H](CNC(=O)[C@@H]1NCCCC1(C)C)C(=O)[O-] ZINC000232727674 482839042 /nfs/dbraw/zinc/83/90/42/482839042.db2.gz RACPHULPWFGTKT-QWRGUYRKSA-N -1 3 270.373 1.238 10 0 CDAEHM CCn1c(=O)[n-]nc1S(=O)(=O)[C@H]1CCc2ccccc21 ZINC000683731470 483108242 /nfs/dbraw/zinc/10/82/42/483108242.db2.gz GVHFFNBFSTYFLJ-NSHDSACASA-N -1 3 293.348 1.465 10 0 CDAEHM CCN(CC)CCS(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000685599599 483179784 /nfs/dbraw/zinc/17/97/84/483179784.db2.gz ZAUYZLPGEXCCOY-SNVBAGLBSA-N -1 3 284.372 1.435 10 0 CDAEHM COc1cc(C(=O)N[C@@H]2CCCN(C)C2)cc(Cl)c1[O-] ZINC000682362081 483201828 /nfs/dbraw/zinc/20/18/28/483201828.db2.gz YBQUGGYGMPOBHF-SNVBAGLBSA-N -1 3 298.770 1.878 10 0 CDAEHM CC(C)c1nc(S(=O)(=O)[N-][C@H]2CCOC[C@@H]2C)c[nH]1 ZINC000683341343 483487168 /nfs/dbraw/zinc/48/71/68/483487168.db2.gz MHRGTZZGFOZVKF-UWVGGRQHSA-N -1 3 287.385 1.236 10 0 CDAEHM COc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)nc1 ZINC000672105734 483647609 /nfs/dbraw/zinc/64/76/09/483647609.db2.gz MCMKAMADBYFQKM-SSDOTTSWSA-N -1 3 289.213 1.467 10 0 CDAEHM CCN1CCC[C@H](n2c(C)nnc2SCC(=O)[O-])C1 ZINC000049219818 521651398 /nfs/dbraw/zinc/65/13/98/521651398.db2.gz PLATYJJELBCBFM-JTQLQIEISA-N -1 3 284.385 1.420 10 0 CDAEHM Cc1cc(CN[C@]2(C(=O)[O-])CCOC2)cnc1Cl ZINC000789901860 1162115348 /nfs/dbraw/zinc/11/53/48/1162115348.db2.gz FSJMTSKXSZBFTR-GFCCVEGCSA-N -1 3 270.716 1.377 10 0 CDAEHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCC1(C)CC1 ZINC000790805985 1162170169 /nfs/dbraw/zinc/17/01/69/1162170169.db2.gz 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/nfs/dbraw/zinc/89/96/95/519899695.db2.gz RIXYLFNIIJPNLF-JTQLQIEISA-N -1 3 256.346 1.360 10 0 CDAEHM CCN(CC(=O)N1CCCC[C@@H]1C)C[C@H](C)C(=O)[O-] ZINC000061218392 520310170 /nfs/dbraw/zinc/31/01/70/520310170.db2.gz KQGPHWKXTSGDMV-RYUDHWBXSA-N -1 3 270.373 1.430 10 0 CDAEHM CCO[C@@H](CN1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000062750526 520310626 /nfs/dbraw/zinc/31/06/26/520310626.db2.gz RECXEPWNXBQZRY-AWEZNQCLSA-N -1 3 278.352 1.298 10 0 CDAEHM CCO[C@@H](CN1CCc2sccc2C1)C(=O)[O-] ZINC000062750439 520311027 /nfs/dbraw/zinc/31/10/27/520311027.db2.gz XTXPWIOFJVGSFZ-JTQLQIEISA-N -1 3 255.339 1.596 10 0 CDAEHM CCCCNC(=O)CN(CCCC(=O)[O-])C(C)C ZINC000049281045 520613661 /nfs/dbraw/zinc/61/36/61/520613661.db2.gz ASCLPVNNVUUKEE-UHFFFAOYSA-N -1 3 258.362 1.478 10 0 CDAEHM CC1(C)[C@H](NC(=O)c2cccc([O-])c2)[C@@H]2CCO[C@@H]21 ZINC000182495429 520664087 /nfs/dbraw/zinc/66/40/87/520664087.db2.gz OBPNHGRSKJYLPV-XQQFMLRXSA-N -1 3 261.321 1.936 10 0 CDAEHM CCN(C[C@@H](C)C(=O)[O-])[C@@H](C)C(=O)N1CCCCC1 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Cc1nc2c(c(=O)[n-]1)CN(C[C@@H]1C[C@H]3CCC[C@@H]3O1)C2 ZINC000931312501 784340053 /nfs/dbraw/zinc/34/00/53/784340053.db2.gz UREBYCLDJSYGTE-SUNKGSAMSA-N -1 3 275.352 1.764 10 0 CDAEHM Cc1c(CC(=O)N2CCc3ccccc3C2)nc[n-]c1=O ZINC000222951072 784492836 /nfs/dbraw/zinc/49/28/36/784492836.db2.gz KMDJZPNKOWBHLZ-UHFFFAOYSA-N -1 3 283.331 1.206 10 0 CDAEHM Cc1nc(C)c(CC(=O)N[C@@H]2COC3(CCC3)C2)c(=O)[n-]1 ZINC000855672031 784709102 /nfs/dbraw/zinc/70/91/02/784709102.db2.gz HCTXTGHSEHYEQT-NSHDSACASA-N -1 3 291.351 1.169 10 0 CDAEHM COC(=O)C[C@H](CNC(=O)c1ccc(N)cc1[O-])C1CC1 ZINC000852910445 784767307 /nfs/dbraw/zinc/76/73/07/784767307.db2.gz UVKPFCNUKMRHIC-SNVBAGLBSA-N -1 3 292.335 1.294 10 0 CDAEHM COc1cccc2c(C(=O)OCCC3(O)CC3)n[n-]c21 ZINC000808676946 784862833 /nfs/dbraw/zinc/86/28/33/784862833.db2.gz UCISGBLWRIYQSV-UHFFFAOYSA-N -1 3 276.292 1.643 10 0 CDAEHM COc1cccc2c(C(=O)OCCC3(O)CC3)[n-]nc21 ZINC000808676946 784862834 /nfs/dbraw/zinc/86/28/34/784862834.db2.gz UCISGBLWRIYQSV-UHFFFAOYSA-N -1 3 276.292 1.643 10 0 CDAEHM Nc1ccc(C(=O)N2CC[C@H](Nc3ncccn3)C2)c([O-])c1 ZINC000843503788 784890138 /nfs/dbraw/zinc/89/01/38/784890138.db2.gz HBWPVHGAWAPTKN-NSHDSACASA-N -1 3 299.334 1.091 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CC12CCCCC2 ZINC000867045173 784890262 /nfs/dbraw/zinc/89/02/62/784890262.db2.gz AQJAAFVIUZGZBL-QGHHPUGFSA-N -1 3 294.442 1.661 10 0 CDAEHM O=C(NCc1ncccc1[O-])Nc1cccc(F)n1 ZINC000791863705 784896762 /nfs/dbraw/zinc/89/67/62/784896762.db2.gz FVDRAGCAGMTSMR-UHFFFAOYSA-N -1 3 262.244 1.643 10 0 CDAEHM CCn1ncc(C[N-]C(=O)C(F)(F)c2ccc(F)cc2)n1 ZINC000862384435 784968614 /nfs/dbraw/zinc/96/86/14/784968614.db2.gz ZDOHUNKPPLEFBO-UHFFFAOYSA-N -1 3 298.268 1.845 10 0 CDAEHM COc1nnc(NC(=O)C=C2CCSCC2)[n-]1 ZINC000778955217 785030478 /nfs/dbraw/zinc/03/04/78/785030478.db2.gz BBQKFUXBPHUCRK-UHFFFAOYSA-N -1 3 254.315 1.205 10 0 CDAEHM COc1nc(NC(=O)C=C2CCSCC2)n[n-]1 ZINC000778955217 785030481 /nfs/dbraw/zinc/03/04/81/785030481.db2.gz BBQKFUXBPHUCRK-UHFFFAOYSA-N -1 3 254.315 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COC(=O)c1cnc(C(=O)[N-]c2cc(C(C)C)on2)cn1 ZINC001361583060 970308467 /nfs/dbraw/zinc/30/84/67/970308467.db2.gz LJUVNGNTCVYDOR-UHFFFAOYSA-N -1 3 290.279 1.627 10 0 CDAEHM COC(=O)c1cc(C(=O)[N-]c2nn(C)cc2Cl)no1 ZINC001361738867 970478421 /nfs/dbraw/zinc/47/84/21/970478421.db2.gz PCDLKBKQMDQEDC-UHFFFAOYSA-N -1 3 284.659 1.100 10 0 CDAEHM O=C(C=C1CCC1)NCCCNC(=O)c1ccccc1[O-] ZINC001522846998 970588089 /nfs/dbraw/zinc/58/80/89/970588089.db2.gz SQDYTCWSQVZFLC-UHFFFAOYSA-N -1 3 288.347 1.739 10 0 CDAEHM COC(=O)c1sccc1C(=O)[N-]c1nnc(C)s1 ZINC001361954537 970703825 /nfs/dbraw/zinc/70/38/25/970703825.db2.gz ZJKHRCGUHCWNLT-UHFFFAOYSA-N -1 3 283.334 1.947 10 0 CDAEHM CCCC[C@H](C)C(=O)N[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001372611321 973050614 /nfs/dbraw/zinc/05/06/14/973050614.db2.gz BQDVZEGVIGWNNI-GARJFASQSA-N -1 3 293.371 1.008 10 0 CDAEHM O=C(c1ccc(F)c([O-])c1)N1CC[C@@H](N2CCC2)[C@H](F)C1 ZINC001417759060 973369148 /nfs/dbraw/zinc/36/91/48/973369148.db2.gz ZVXLUBJSYIZTLO-CHWSQXEVSA-N -1 3 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C[C@H](C(=O)N1CCCC[C@H]1C(=O)[O-])[C@H](N)c1ccccc1 ZINC000130538538 342226155 /nfs/dbraw/zinc/22/61/55/342226155.db2.gz VIDLWPPDQVCAGT-UBHSHLNASA-N -1 3 290.363 1.788 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCCCC[C@@H]2CCO)n1 ZINC000342025777 539074191 /nfs/dbraw/zinc/07/41/91/539074191.db2.gz ACYAKDHBQWMHPU-CYBMUJFWSA-N -1 3 279.384 1.872 10 0 CDAEHM CCc1ccc([O-])c(C(=O)NC2(CCO)CCOCC2)c1 ZINC000154851906 539092732 /nfs/dbraw/zinc/09/27/32/539092732.db2.gz NNILSHPFBILZDA-UHFFFAOYSA-N -1 3 293.363 1.616 10 0 CDAEHM NC(=O)c1nn[n-]c1NC(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000622868460 342263869 /nfs/dbraw/zinc/26/38/69/342263869.db2.gz OAWAERWBNPKRKL-KSBSHMNSSA-N -1 3 299.281 1.058 10 0 CDAEHM NC(=O)c1[n-]nnc1NC(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000622868460 342263870 /nfs/dbraw/zinc/26/38/70/342263870.db2.gz OAWAERWBNPKRKL-KSBSHMNSSA-N -1 3 299.281 1.058 10 0 CDAEHM NC(=O)c1n[n-]nc1NC(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000622868460 342263871 /nfs/dbraw/zinc/26/38/71/342263871.db2.gz 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COC(=O)C[C@H](CNC(=O)Cc1cncc([O-])c1)C1CC1 ZINC000598282635 343752148 /nfs/dbraw/zinc/75/21/48/343752148.db2.gz UNNURACRVDIPJQ-GFCCVEGCSA-N -1 3 292.335 1.035 10 0 CDAEHM CN(C)c1nc(C(=O)N[C@H]2CC3CCC2CC3)cc(=O)[n-]1 ZINC000338818133 282315049 /nfs/dbraw/zinc/31/50/49/282315049.db2.gz CFSBTCNURFOGRY-ILDUYXDCSA-N -1 3 290.367 1.557 10 0 CDAEHM CCS[C@H](C(=O)NCc1cc(=O)[n-]c(=O)[nH]1)C(C)C ZINC000601652972 344213307 /nfs/dbraw/zinc/21/33/07/344213307.db2.gz LNEUGCLMXJHBLW-JTQLQIEISA-N -1 3 285.369 1.282 10 0 CDAEHM O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1c[n-]nn1 ZINC000536807992 282344212 /nfs/dbraw/zinc/34/42/12/282344212.db2.gz VSVBOULPLQTIEH-AAEUAGOBSA-N -1 3 272.308 1.312 10 0 CDAEHM O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1cnn[n-]1 ZINC000536807992 282344214 /nfs/dbraw/zinc/34/42/14/282344214.db2.gz VSVBOULPLQTIEH-AAEUAGOBSA-N -1 3 272.308 1.312 10 0 CDAEHM O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1cn[n-]n1 ZINC000536807992 282344216 /nfs/dbraw/zinc/34/42/16/282344216.db2.gz 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/nfs/dbraw/zinc/13/26/96/179132696.db2.gz IQCLVKUKWBMSIK-UHFFFAOYSA-N -1 3 262.331 1.162 10 0 CDAEHM Cc1ccc(NC(=O)[C@H](N)CC(=O)[O-])c(Cl)c1 ZINC000085811557 179177736 /nfs/dbraw/zinc/17/77/36/179177736.db2.gz XJTLJRZPRMKGDC-MRVPVSSYSA-N -1 3 256.689 1.389 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)Nc1ccccc1SC(F)F ZINC000085810972 179177869 /nfs/dbraw/zinc/17/78/69/179177869.db2.gz VGCAZRSDEUVXJX-LURJTMIESA-N -1 3 290.291 1.742 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000085813194 179178338 /nfs/dbraw/zinc/17/83/38/179178338.db2.gz SEVAJEINODTHQQ-SECBINFHSA-N -1 3 289.291 1.446 10 0 CDAEHM CC[C@H](C)c1ccc(NC(=O)[C@H](N)CC(=O)[O-])cc1 ZINC000085812866 179178366 /nfs/dbraw/zinc/17/83/66/179178366.db2.gz AWAAKEKFYBXMPB-JOYOIKCWSA-N -1 3 264.325 1.941 10 0 CDAEHM COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H](N)CC(=O)[O-] ZINC000085812873 179178452 /nfs/dbraw/zinc/17/84/52/179178452.db2.gz QPWYPWMKXOHQCS-JTQLQIEISA-N -1 3 294.351 1.733 10 0 CDAEHM N[C@H](CCC(=O)[O-])C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085819731 179182849 /nfs/dbraw/zinc/18/28/49/179182849.db2.gz LWGSWVZGZJILBL-DJLDLDEBSA-N -1 3 296.289 1.416 10 0 CDAEHM N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000085819637 179182905 /nfs/dbraw/zinc/18/29/05/179182905.db2.gz BWROGTKFXCVUHZ-JSGCOSHPSA-N -1 3 276.336 1.446 10 0 CDAEHM N[C@@H](CCC(=O)[O-])C(=O)Nc1cccc(-n2cccc2)c1 ZINC000085819842 179183332 /nfs/dbraw/zinc/18/33/32/179183332.db2.gz MAKAALXKEROZOZ-ZDUSSCGKSA-N -1 3 287.319 1.608 10 0 CDAEHM CCC(=O)Nc1cccc(NC(=O)[C@@H](N)CCC(=O)[O-])c1 ZINC000085841950 179184992 /nfs/dbraw/zinc/18/49/92/179184992.db2.gz OGUPGKMBRBYLIG-NSHDSACASA-N -1 3 293.323 1.166 10 0 CDAEHM N[C@@H](CCC(=O)[O-])C(=O)NCCCOC1CCCCC1 ZINC000085842144 179185210 /nfs/dbraw/zinc/18/52/10/179185210.db2.gz LYKWOOIGANKGQT-LBPRGKRZSA-N -1 3 286.372 1.034 10 0 CDAEHM COc1ccc(C)cc1CN(C)C(=O)[C@H](N)CCC(=O)[O-] ZINC000085842581 179186202 /nfs/dbraw/zinc/18/62/02/179186202.db2.gz XFVWKLTUPLFDSR-GFCCVEGCSA-N -1 3 294.351 1.154 10 0 CDAEHM CC(C)COc1cccc(NC(=O)[C@H](N)CC(=O)[O-])c1 ZINC000085815117 179178983 /nfs/dbraw/zinc/17/89/83/179178983.db2.gz NEKGSGJJYSICEP-GFCCVEGCSA-N -1 3 280.324 1.462 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)Nc1cccc2c(O)cccc12 ZINC000085814354 179179154 /nfs/dbraw/zinc/17/91/54/179179154.db2.gz LIQMHMFZXHSDHP-SNVBAGLBSA-N -1 3 274.276 1.286 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000085814114 179179382 /nfs/dbraw/zinc/17/93/82/179179382.db2.gz SAHRBTVRIZZHCK-FZMZJTMJSA-N -1 3 288.303 1.287 10 0 CDAEHM N[C@@H](CCC(=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000085818420 179180733 /nfs/dbraw/zinc/18/07/33/179180733.db2.gz VAKDGNRBTKVSBG-VIFPVBQESA-N -1 3 290.241 1.836 10 0 CDAEHM Cc1cc(Cl)ccc1NC(=O)[C@H](N)CCC(=O)[O-] ZINC000085818702 179180971 /nfs/dbraw/zinc/18/09/71/179180971.db2.gz ZNUNPBRTBHNVLZ-SECBINFHSA-N -1 3 270.716 1.779 10 0 CDAEHM NC(=O)CCCCC(=O)Nc1cc(F)ccc1[O-] ZINC000352051379 362804759 /nfs/dbraw/zinc/80/47/59/362804759.db2.gz BJERCPIHMXXBNU-UHFFFAOYSA-N -1 3 254.261 1.516 10 0 CDAEHM C[C@H]1[C@H](NC(=O)N2CCCN(CC(=O)[O-])CC2)CC[C@@H]1C ZINC000086080301 179226962 /nfs/dbraw/zinc/22/69/62/179226962.db2.gz FMNLMBJZHPHEFO-YNEHKIRRSA-N -1 3 297.399 1.223 10 0 CDAEHM COC[C@](C)(CCO)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000613303229 347672360 /nfs/dbraw/zinc/67/23/60/347672360.db2.gz NOMJZFXXMBPPJI-HNNXBMFYSA-N -1 3 295.335 1.112 10 0 CDAEHM O=C(NCc1cccnc1)c1cc(=O)c2ccccc2[n-]1 ZINC000054104172 347814453 /nfs/dbraw/zinc/81/44/53/347814453.db2.gz SJRNOXMXSNLRTH-UHFFFAOYSA-N -1 3 279.299 1.853 10 0 CDAEHM O=C(c1ncc2ccccc2c1[O-])N1CCN2CCC1CC2 ZINC000613861216 347928785 /nfs/dbraw/zinc/92/87/85/347928785.db2.gz LZPGFQRMKRSQEJ-UHFFFAOYSA-N -1 3 297.358 1.861 10 0 CDAEHM C[C@@H]1CC[C@H]1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000355161913 365956516 /nfs/dbraw/zinc/95/65/16/365956516.db2.gz JTKJIXBHXAGWNQ-PHDIDXHHSA-N -1 3 277.250 1.421 10 0 CDAEHM C[C@@H]1CC[C@H]1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000355161913 365956524 /nfs/dbraw/zinc/95/65/24/365956524.db2.gz JTKJIXBHXAGWNQ-PHDIDXHHSA-N -1 3 277.250 1.421 10 0 CDAEHM C[C@@H]1CC[C@H]1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000355161913 365956529 /nfs/dbraw/zinc/95/65/29/365956529.db2.gz JTKJIXBHXAGWNQ-PHDIDXHHSA-N -1 3 277.250 1.421 10 0 CDAEHM O=C(N[C@H]1C[C@H](O)C12CCC2)c1cc(F)cc2nn[n-]c21 ZINC000619076459 348176318 /nfs/dbraw/zinc/17/63/18/348176318.db2.gz WRYPLDAEJGBLOE-QWRGUYRKSA-N -1 3 290.298 1.130 10 0 CDAEHM O=C(N[C@H]1C[C@H](O)C12CCC2)c1cc(F)cc2[n-]nnc21 ZINC000619076459 348176320 /nfs/dbraw/zinc/17/63/20/348176320.db2.gz WRYPLDAEJGBLOE-QWRGUYRKSA-N -1 3 290.298 1.130 10 0 CDAEHM O=C(N[C@H]1C[C@H](O)C12CCC2)c1cc(F)cc2n[n-]nc21 ZINC000619076459 348176325 /nfs/dbraw/zinc/17/63/25/348176325.db2.gz WRYPLDAEJGBLOE-QWRGUYRKSA-N -1 3 290.298 1.130 10 0 CDAEHM CC(C)[C@@H]1C[C@@H](CN=c2ncnc3[nH][n-]cc2-3)CCO1 ZINC000450735618 362879596 /nfs/dbraw/zinc/87/95/96/362879596.db2.gz GCHLFUKVTLDUAN-JQWIXIFHSA-N -1 3 275.356 1.590 10 0 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COc1nnc(NC(=O)c2ccc(C(F)(F)F)cn2)[n-]1 ZINC000129148861 358278069 /nfs/dbraw/zinc/27/80/69/358278069.db2.gz DETWMLNMZJBQON-UHFFFAOYSA-N -1 3 287.201 1.479 10 0 CDAEHM COc1nc(NC(=O)c2ccc(C(F)(F)F)cn2)n[n-]1 ZINC000129148861 358278073 /nfs/dbraw/zinc/27/80/73/358278073.db2.gz DETWMLNMZJBQON-UHFFFAOYSA-N -1 3 287.201 1.479 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(C(F)(F)F)cn2)n1 ZINC000129148861 358278077 /nfs/dbraw/zinc/27/80/77/358278077.db2.gz DETWMLNMZJBQON-UHFFFAOYSA-N -1 3 287.201 1.479 10 0 CDAEHM Cc1ccc([O-])c(CN(C)[C@@H](C)C[S@](C)=O)n1 ZINC000131071085 358320687 /nfs/dbraw/zinc/32/06/87/358320687.db2.gz UQOCGKMQQLNKBD-DYZYQPBXSA-N -1 3 256.371 1.294 10 0 CDAEHM CC(C)C[C@H](CN(C)C)NC(=O)c1ncccc1[O-] ZINC000049560336 359362647 /nfs/dbraw/zinc/36/26/47/359362647.db2.gz HRRLKBRIKGSMPB-LLVKDONJSA-N -1 3 265.357 1.493 10 0 CDAEHM CC(C)CN1CCN(c2cc(C(=O)[O-])ccn2)CC1 ZINC000050279638 359411981 /nfs/dbraw/zinc/41/19/81/359411981.db2.gz HSMUGVJCNYUHQQ-UHFFFAOYSA-N -1 3 263.341 1.558 10 0 CDAEHM 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CDAEHM CCOc1ncc(C(=O)Nc2nnc(OC)[n-]2)cc1Cl ZINC000179365090 189188677 /nfs/dbraw/zinc/18/86/77/189188677.db2.gz SNTMGBLCNCWYOV-UHFFFAOYSA-N -1 3 297.702 1.513 10 0 CDAEHM CCOc1ncc(C(=O)Nc2n[n-]c(OC)n2)cc1Cl ZINC000179365090 189188678 /nfs/dbraw/zinc/18/86/78/189188678.db2.gz SNTMGBLCNCWYOV-UHFFFAOYSA-N -1 3 297.702 1.513 10 0 CDAEHM CCOc1ncc(C(=O)Nc2nc(OC)n[n-]2)cc1Cl ZINC000179365090 189188679 /nfs/dbraw/zinc/18/86/79/189188679.db2.gz SNTMGBLCNCWYOV-UHFFFAOYSA-N -1 3 297.702 1.513 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](C)Cc2ccccc2F)[n-]1 ZINC000179366703 189189103 /nfs/dbraw/zinc/18/91/03/189189103.db2.gz GTYFXEXNJUGKFO-QMMMGPOBSA-N -1 3 278.287 1.770 10 0 CDAEHM COc1nc(NC(=O)[C@@H](C)Cc2ccccc2F)n[n-]1 ZINC000179366703 189189104 /nfs/dbraw/zinc/18/91/04/189189104.db2.gz GTYFXEXNJUGKFO-QMMMGPOBSA-N -1 3 278.287 1.770 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](C)Cc2ccccc2F)n1 ZINC000179366703 189189105 /nfs/dbraw/zinc/18/91/05/189189105.db2.gz GTYFXEXNJUGKFO-QMMMGPOBSA-N -1 3 278.287 1.770 10 0 CDAEHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1nnc(OC)[n-]1 ZINC000179371533 189189677 /nfs/dbraw/zinc/18/96/77/189189677.db2.gz URFMPLHAVPOJRY-SNVBAGLBSA-N -1 3 290.323 1.918 10 0 CDAEHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1n[n-]c(OC)n1 ZINC000179371533 189189678 /nfs/dbraw/zinc/18/96/78/189189678.db2.gz URFMPLHAVPOJRY-SNVBAGLBSA-N -1 3 290.323 1.918 10 0 CDAEHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1nc(OC)n[n-]1 ZINC000179371533 189189679 /nfs/dbraw/zinc/18/96/79/189189679.db2.gz URFMPLHAVPOJRY-SNVBAGLBSA-N -1 3 290.323 1.918 10 0 CDAEHM O=C(N=c1cc(-c2ccccc2F)o[n-]1)c1cnccn1 ZINC000448490964 360948783 /nfs/dbraw/zinc/94/87/83/360948783.db2.gz RLOWJSFLXIZYES-UHFFFAOYSA-N -1 3 284.250 1.945 10 0 CDAEHM CCc1cccc(C(=O)N2CC3(C2)CCCO3)c1[O-] ZINC000628788753 361096054 /nfs/dbraw/zinc/09/60/54/361096054.db2.gz OFMAQYHHDVPPHQ-UHFFFAOYSA-N -1 3 261.321 1.960 10 0 CDAEHM C[C@H](CC(F)(F)F)NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000338864088 361097295 /nfs/dbraw/zinc/09/72/95/361097295.db2.gz LGQKKSJGQUVFIQ-ZCFIWIBFSA-N -1 3 292.261 1.319 10 0 CDAEHM Cc1nc([C@@](C)([N-]S(=O)(=O)CCCF)C2CC2)no1 ZINC000432281977 361134616 /nfs/dbraw/zinc/13/46/16/361134616.db2.gz ASHLBTVGRMDRHW-NSHDSACASA-N -1 3 291.348 1.282 10 0 CDAEHM CCc1nc(C(=O)[N-]c2nnc(C)s2)c(C)o1 ZINC000350720423 361146679 /nfs/dbraw/zinc/14/66/79/361146679.db2.gz OUTSZKDHNALJII-UHFFFAOYSA-N -1 3 252.299 1.958 10 0 CDAEHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c[nH]c(=O)s2)[C@H]1C ZINC000631646231 361252303 /nfs/dbraw/zinc/25/23/03/361252303.db2.gz ZSEOXBNOJOFOKL-HRDYMLBCSA-N -1 3 290.410 1.952 10 0 CDAEHM Cc1ccc(C(=O)N[C@H]2COCCC2=O)c([O-])c1C ZINC000628886055 361255582 /nfs/dbraw/zinc/25/55/82/361255582.db2.gz KNMUOEXFMGKFRX-NSHDSACASA-N -1 3 263.293 1.097 10 0 CDAEHM C/C=C/CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000629039973 361435554 /nfs/dbraw/zinc/43/55/54/361435554.db2.gz UNOKPHKVZBISDI-NWALNABHSA-N -1 3 288.394 1.107 10 0 CDAEHM O=C(NCCNC(=O)[C@H]1CC12CC2)c1ccc([O-])cc1 ZINC000643338786 361490320 /nfs/dbraw/zinc/49/03/20/361490320.db2.gz SEYRKOWSWHHWRD-GFCCVEGCSA-N -1 3 274.320 1.038 10 0 CDAEHM COc1ccc(C(=O)NCC[C@H](O)C(F)(F)F)c([O-])c1 ZINC000436498226 361522470 /nfs/dbraw/zinc/52/24/70/361522470.db2.gz VQLCLNNOOVCHFN-JTQLQIEISA-N -1 3 293.241 1.444 10 0 CDAEHM Cc1cc(CCNC(=O)c2c([O-])cccc2O)on1 ZINC000436739389 361569002 /nfs/dbraw/zinc/56/90/02/361569002.db2.gz PXLGAKPMKGFLGP-UHFFFAOYSA-N -1 3 262.265 1.367 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2ccc(C)cc2[O-])no1 ZINC000436657150 361552332 /nfs/dbraw/zinc/55/23/32/361552332.db2.gz IATZZFPQCCXNRB-UHFFFAOYSA-N -1 3 276.248 1.728 10 0 CDAEHM COc1cccc(C(=O)NCc2noc(C3CC3)n2)c1[O-] ZINC000436914614 361606991 /nfs/dbraw/zinc/60/69/91/361606991.db2.gz KIKJFNWEVZRWIV-UHFFFAOYSA-N -1 3 289.291 1.591 10 0 CDAEHM COc1ccc(C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)c([O-])c1 ZINC000629139426 361636890 /nfs/dbraw/zinc/63/68/90/361636890.db2.gz LHUIYWONSKBSMQ-IINYFYTJSA-N -1 3 277.320 1.698 10 0 CDAEHM COCCN1CCCN(C(=O)c2ccc([O-])c(C)c2)CC1 ZINC000272357466 239032370 /nfs/dbraw/zinc/03/23/70/239032370.db2.gz BPPUNRDFMFLVRG-UHFFFAOYSA-N -1 3 292.379 1.495 10 0 CDAEHM O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000629138575 361635061 /nfs/dbraw/zinc/63/50/61/361635061.db2.gz IQYQKOBRVYBADJ-MEDUHNTESA-N -1 3 298.342 1.825 10 0 CDAEHM CC1(C)C(C(=O)Cn2cc(Cl)c(=O)[n-]c2=O)C1(C)C ZINC000629160394 361653147 /nfs/dbraw/zinc/65/31/47/361653147.db2.gz QQHWBVSVMQMSQJ-UHFFFAOYSA-N -1 3 284.743 1.854 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000282100192 363956679 /nfs/dbraw/zinc/95/66/79/363956679.db2.gz MNUOAVTVZLTMQF-GXSJLCMTSA-N -1 3 262.309 1.098 10 0 CDAEHM C[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000159190724 364161173 /nfs/dbraw/zinc/16/11/73/364161173.db2.gz QVJICGQUGSOFGX-RQJHMYQMSA-N -1 3 283.802 1.697 10 0 CDAEHM CCO[C@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)C(C)C ZINC000629946621 364214412 /nfs/dbraw/zinc/21/44/12/364214412.db2.gz DIVNSHKTPAFPNT-LURJTMIESA-N -1 3 280.250 1.823 10 0 CDAEHM CCO[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)C(C)C ZINC000629946621 364214417 /nfs/dbraw/zinc/21/44/17/364214417.db2.gz DIVNSHKTPAFPNT-LURJTMIESA-N -1 3 280.250 1.823 10 0 CDAEHM C[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000269966838 364402692 /nfs/dbraw/zinc/40/26/92/364402692.db2.gz KEPQUBDDLZLOAZ-SFYZADRCSA-N -1 3 278.761 1.030 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cn2c(n1)COCC2 ZINC000630008957 364419853 /nfs/dbraw/zinc/41/98/53/364419853.db2.gz GUCVUSOWXSFTRM-UHFFFAOYSA-N -1 3 289.339 1.242 10 0 CDAEHM CC(C)[C@@H](C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)N(C)C ZINC000352986223 364695750 /nfs/dbraw/zinc/69/57/50/364695750.db2.gz IUQBDRSANSYMGS-AAEUAGOBSA-N -1 3 280.372 1.208 10 0 CDAEHM Cc1nc(CNC(=O)NCc2ncccc2[O-])sc1C ZINC000471975733 365036413 /nfs/dbraw/zinc/03/64/13/365036413.db2.gz CRCGWKMBPJZNMH-UHFFFAOYSA-N -1 3 292.364 1.860 10 0 CDAEHM COCCOC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000272799783 365402597 /nfs/dbraw/zinc/40/25/97/365402597.db2.gz YHHKUNQGOFPIKB-UHFFFAOYSA-N -1 3 279.336 1.660 10 0 CDAEHM COc1cccc(C(=O)N(C)Cc2cc[nH]n2)c1[O-] ZINC000400048692 366923059 /nfs/dbraw/zinc/92/30/59/366923059.db2.gz VKHABWPLIMGCAZ-UHFFFAOYSA-N -1 3 261.281 1.396 10 0 CDAEHM O=C(NCCOc1ncccc1F)c1cccc([O-])c1 ZINC000357364818 366948476 /nfs/dbraw/zinc/94/84/76/366948476.db2.gz AIXWMJYKVRYDQE-UHFFFAOYSA-N -1 3 276.267 1.735 10 0 CDAEHM CCCN(C)S(=O)(=O)Nc1cc([O-])c(F)cc1F ZINC000414393754 241182846 /nfs/dbraw/zinc/18/28/46/241182846.db2.gz JFZBFIQFPSAWJY-UHFFFAOYSA-N -1 3 280.296 1.669 10 0 CDAEHM CCOC(=O)CC(C)(C)CC(=O)NCc1ncccc1[O-] ZINC000357479769 367021334 /nfs/dbraw/zinc/02/13/34/367021334.db2.gz YNTOSVCKWUZEKX-UHFFFAOYSA-N -1 3 294.351 1.773 10 0 CDAEHM COC(=O)c1cc(C(=O)N(C)c2nnc(C)s2)c[n-]1 ZINC000357525686 367046707 /nfs/dbraw/zinc/04/67/07/367046707.db2.gz BLTKIAAEUSMQID-UHFFFAOYSA-N -1 3 280.309 1.238 10 0 CDAEHM CCOc1cccc(CN2C[C@H](OC)C[C@H]2CC(=O)[O-])n1 ZINC000566859931 370828714 /nfs/dbraw/zinc/82/87/14/370828714.db2.gz ACWDYPUBSSWWLM-QWHCGFSZSA-N -1 3 294.351 1.544 10 0 CDAEHM COCc1cnc([N-]C(=O)c2coc(OC)n2)s1 ZINC000627137887 367557542 /nfs/dbraw/zinc/55/75/42/367557542.db2.gz BIPFXTHQYBFUDL-UHFFFAOYSA-N -1 3 269.282 1.538 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CCc2ccc(C)cn2)c1 ZINC000416509822 242029190 /nfs/dbraw/zinc/02/91/90/242029190.db2.gz VVGDOVHLZMVIAO-UHFFFAOYSA-N -1 3 294.380 1.127 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCc2ccccc2O)o1 ZINC000358426121 367674506 /nfs/dbraw/zinc/67/45/06/367674506.db2.gz JRRPYQPOMUIVKN-UHFFFAOYSA-N -1 3 281.333 1.815 10 0 CDAEHM CCN(CC[N-]S(=O)(=O)c1ccc(C)o1)C1CC1 ZINC000358424347 367674745 /nfs/dbraw/zinc/67/47/45/367674745.db2.gz FYKOSTJXXXTOAF-UHFFFAOYSA-N -1 3 272.370 1.351 10 0 CDAEHM C[C@H]1CCCN(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)C1 ZINC000375647592 370887438 /nfs/dbraw/zinc/88/74/38/370887438.db2.gz QVPUFFREDOGZEC-NSHDSACASA-N -1 3 298.412 1.608 10 0 CDAEHM CC(C)c1nc(S(=O)(=O)[N-][C@@]23C[C@@H]2COC3(C)C)c[nH]1 ZINC000528490699 367860140 /nfs/dbraw/zinc/86/01/40/367860140.db2.gz DLPKRQCVCFPDGZ-RNCFNFMXSA-N -1 3 299.396 1.379 10 0 CDAEHM O=C(NCc1ncccc1[O-])NC[C@H]1CCCSC1 ZINC000567137007 370891524 /nfs/dbraw/zinc/89/15/24/370891524.db2.gz VABGFZIQOPFTOV-SNVBAGLBSA-N -1 3 281.381 1.730 10 0 CDAEHM Cn1cnc(S(=O)(=O)[N-]CC[C@H]2CC=CCC2)c1 ZINC000528526993 367885407 /nfs/dbraw/zinc/88/54/07/367885407.db2.gz CSQJGUIOOIWJOZ-NSHDSACASA-N -1 3 269.370 1.445 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CC2C(C)(C)C2(C)C)c1 ZINC000360524374 368343140 /nfs/dbraw/zinc/34/31/40/368343140.db2.gz HQKDUFAUHHHMKJ-UHFFFAOYSA-N -1 3 285.413 1.864 10 0 CDAEHM O=C(c1c([O-])cccc1O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000539922101 368496917 /nfs/dbraw/zinc/49/69/17/368496917.db2.gz OBIBGEWJCFPSHS-NWDGAFQWSA-N -1 3 291.347 1.987 10 0 CDAEHM COc1cc(=NC(=O)NC(C)(C)c2ccccc2)[n-]n1C ZINC000567208608 370912515 /nfs/dbraw/zinc/91/25/15/370912515.db2.gz WHHAPGYEKFQXFF-UHFFFAOYSA-N -1 3 288.351 1.907 10 0 CDAEHM COc1ccc2nc(SCc3nc(=O)n(C)[n-]3)[nH]c2c1 ZINC000542781760 368820332 /nfs/dbraw/zinc/82/03/32/368820332.db2.gz 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VSWAOBRYEYEPQS-UHFFFAOYSA-N -1 3 282.303 1.651 10 0 CDAEHM COc1cc(=NC(=O)[C@H](C)Oc2cccc(C)c2)[n-]n1C ZINC000548471933 369869807 /nfs/dbraw/zinc/86/98/07/369869807.db2.gz SSIJQFIRYVBNDN-NSHDSACASA-N -1 3 289.335 1.565 10 0 CDAEHM COc1cc(=NC(=O)NC2(c3ccccc3)CC2)[n-]n1C ZINC000548496216 369877874 /nfs/dbraw/zinc/87/78/74/369877874.db2.gz YGUSAKPUCGKJJD-UHFFFAOYSA-N -1 3 286.335 1.661 10 0 CDAEHM CC[C@@H](CC(C)C)C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000565093490 370349690 /nfs/dbraw/zinc/34/96/90/370349690.db2.gz OWNQTXNDMPPSEA-NWDGAFQWSA-N -1 3 293.415 1.963 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000566134053 370621826 /nfs/dbraw/zinc/62/18/26/370621826.db2.gz GIJZRIGXNZAEBR-PEGIJTEDSA-N -1 3 274.320 1.879 10 0 CDAEHM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-]Cc1nccs1 ZINC000295225190 371158675 /nfs/dbraw/zinc/15/86/75/371158675.db2.gz RUCQGLNPDBOGIU-QMMMGPOBSA-N -1 3 296.364 1.998 10 0 CDAEHM Cc1cc(S(=O)(=O)[N-]C[C@H](C)O)c(Cl)cc1F ZINC000123071190 371241706 /nfs/dbraw/zinc/24/17/06/371241706.db2.gz NPQRKVVIHDTNRL-ZETCQYMHSA-N -1 3 281.736 1.447 10 0 CDAEHM C[C@H](CN1CCC(C)CC1)NC(=O)CSCC(=O)[O-] ZINC000573459801 371552527 /nfs/dbraw/zinc/55/25/27/371552527.db2.gz OPAWFBGKJRTYDM-LLVKDONJSA-N -1 3 288.413 1.041 10 0 CDAEHM Cc1cccc(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1[O-] ZINC000177411203 372102891 /nfs/dbraw/zinc/10/28/91/372102891.db2.gz MGNNQNGWGKQCNI-GHMZBOCLSA-N -1 3 276.336 1.475 10 0 CDAEHM O=S(=O)(CCCC1CCOCC1)[N-]CC(F)F ZINC000645572251 372294346 /nfs/dbraw/zinc/29/43/46/372294346.db2.gz APJGASKJEAGDSZ-UHFFFAOYSA-N -1 3 271.329 1.378 10 0 CDAEHM CC(C)[C@H](C)CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000172409844 372370663 /nfs/dbraw/zinc/37/06/63/372370663.db2.gz JTKMEZNNQPTEJU-SECBINFHSA-N -1 3 274.320 1.592 10 0 CDAEHM CN(Cc1cc[nH]n1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000351744412 372422189 /nfs/dbraw/zinc/42/21/89/372422189.db2.gz ROWUVUXVRCABDX-UHFFFAOYSA-N -1 3 282.303 1.523 10 0 CDAEHM CC1(C)SC[C@@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000578673187 372540691 /nfs/dbraw/zinc/54/06/91/372540691.db2.gz LYTIQHMOEKTYTR-VIFPVBQESA-N -1 3 262.338 1.582 10 0 CDAEHM CC1(C)SC[C@@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000578673187 372540695 /nfs/dbraw/zinc/54/06/95/372540695.db2.gz LYTIQHMOEKTYTR-VIFPVBQESA-N -1 3 262.338 1.582 10 0 CDAEHM CC1(C)SC[C@@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000578673187 372540699 /nfs/dbraw/zinc/54/06/99/372540699.db2.gz LYTIQHMOEKTYTR-VIFPVBQESA-N -1 3 262.338 1.582 10 0 CDAEHM CCN=c1[n-]c(C(=O)NCC2=CCOCC2)cs1 ZINC000580755878 372679826 /nfs/dbraw/zinc/67/98/26/372679826.db2.gz NKVDOFVYRIJKFK-UHFFFAOYSA-N -1 3 267.354 1.073 10 0 CDAEHM CO[C@H]1CN(C(=O)c2ccc(O)cc2[O-])CC[C@H]1C ZINC000187696388 372803899 /nfs/dbraw/zinc/80/38/99/372803899.db2.gz AOZYXPGXJWZPED-RNCFNFMXSA-N -1 3 265.309 1.595 10 0 CDAEHM CCCC[C@H](CCC)NC(=O)CN1CC(=O)[N-]C1=O ZINC000177276801 372879625 /nfs/dbraw/zinc/87/96/25/372879625.db2.gz BBFGTTXLBVCOGC-JTQLQIEISA-N -1 3 269.345 1.013 10 0 CDAEHM COc1nnc(NC(=O)[C@H]2CCCC(C)(C)C2)[n-]1 ZINC000182989181 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3 264.260 1.695 10 0 CDAEHM O=C(Cc1ccccc1F)NCc1ncccc1[O-] ZINC000352514824 155241071 /nfs/dbraw/zinc/24/10/71/155241071.db2.gz CUEQTULKYBOVGW-UHFFFAOYSA-N -1 3 260.268 1.785 10 0 CDAEHM CC1(C)COC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000334878828 150023406 /nfs/dbraw/zinc/02/34/06/150023406.db2.gz GAHUHQDPFORFIB-LLVKDONJSA-N -1 3 291.319 1.668 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2CCNC[C@@](C)(F)C2)c1 ZINC000335009178 150180414 /nfs/dbraw/zinc/18/04/14/150180414.db2.gz IJKVPNYNLYPUCP-CQSZACIVSA-N -1 3 266.316 1.474 10 0 CDAEHM CCc1cc(C(=O)N2C[C@@H](O)C3(CC3)C2)ccc1[O-] ZINC000335185345 150383000 /nfs/dbraw/zinc/38/30/00/150383000.db2.gz HILPHJBAERTKLA-CYBMUJFWSA-N -1 3 261.321 1.552 10 0 CDAEHM Cc1cc(C(=O)N2CC3(C2)CCCOC3)ccc1[O-] ZINC000335781216 151013982 /nfs/dbraw/zinc/01/39/82/151013982.db2.gz UELKKJZLBZZOSC-UHFFFAOYSA-N -1 3 261.321 1.953 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1ccc(F)cc1F ZINC000336062810 151237719 /nfs/dbraw/zinc/23/77/19/151237719.db2.gz FBLKGIJOZJECIT-UHFFFAOYSA-N -1 3 264.231 1.995 10 0 CDAEHM COc1nnc(NC(=O)c2cnn(C)c2-c2ccccc2)[n-]1 ZINC000352646858 155322832 /nfs/dbraw/zinc/32/28/32/155322832.db2.gz NCROHSYAWTUAOV-UHFFFAOYSA-N -1 3 298.306 1.466 10 0 CDAEHM COc1nc(NC(=O)c2cnn(C)c2-c2ccccc2)n[n-]1 ZINC000352646858 155322836 /nfs/dbraw/zinc/32/28/36/155322836.db2.gz NCROHSYAWTUAOV-UHFFFAOYSA-N -1 3 298.306 1.466 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cnn(C)c2-c2ccccc2)n1 ZINC000352646858 155322838 /nfs/dbraw/zinc/32/28/38/155322838.db2.gz NCROHSYAWTUAOV-UHFFFAOYSA-N -1 3 298.306 1.466 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)c1 ZINC000362096985 159070986 /nfs/dbraw/zinc/07/09/86/159070986.db2.gz VIKQCRWKVQJYAG-SSDOTTSWSA-N -1 3 285.291 1.522 10 0 CDAEHM O=c1[n-]c(C2CCN(CCC(F)(F)F)CC2)n[nH]1 ZINC000343760576 152294001 /nfs/dbraw/zinc/29/40/01/152294001.db2.gz BFHAOUNHBDXHJE-UHFFFAOYSA-N -1 3 264.251 1.642 10 0 CDAEHM CC(C)CCN(C(=O)CN1CC(=O)[N-]C1=O)C1CCCC1 ZINC000346224793 153104118 /nfs/dbraw/zinc/10/41/18/153104118.db2.gz 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ZINC000660021462 414368283 /nfs/dbraw/zinc/36/82/83/414368283.db2.gz LWTODJCQBFCMJK-VIFPVBQESA-N -1 3 294.323 1.694 10 0 CDAEHM CCN(CCC(=O)[O-])CC(=O)N(C)Cc1ccccc1F ZINC000038024356 174007303 /nfs/dbraw/zinc/00/73/03/174007303.db2.gz LVNWFAOWISIAOA-UHFFFAOYSA-N -1 3 296.342 1.581 10 0 CDAEHM CCN(CCC(=O)[O-])CC(=O)N1CCCCCCC1 ZINC000038024969 174009361 /nfs/dbraw/zinc/00/93/61/174009361.db2.gz PWPROAAHBLOODK-UHFFFAOYSA-N -1 3 270.373 1.576 10 0 CDAEHM CC(C)(C)NC(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000038027567 174013980 /nfs/dbraw/zinc/01/39/80/174013980.db2.gz BXWMUDPVCBXCJF-JTQLQIEISA-N -1 3 256.346 1.230 10 0 CDAEHM CCC[C@@H](N)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000040473805 174281855 /nfs/dbraw/zinc/28/18/55/174281855.db2.gz IFVSUORTHUOJAS-MRVPVSSYSA-N -1 3 254.261 1.590 10 0 CDAEHM CSCC[C@H](N)C(=O)N1c2ccccc2C[C@@H]1C(=O)[O-] ZINC000040480769 174284772 /nfs/dbraw/zinc/28/47/72/174284772.db2.gz ZAYOHEIVCLCRRH-CMPLNLGQSA-N -1 3 294.376 1.109 10 0 CDAEHM CC[C@@H](C)[C@H](N)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000040484124 174287334 /nfs/dbraw/zinc/28/73/34/174287334.db2.gz JXEGLKNURSZQKW-MFKMUULPSA-N -1 3 264.325 1.478 10 0 CDAEHM CC(C)[C@H](N)C(=O)N(CC(=O)[O-])c1cccc(Cl)c1 ZINC000040484589 174288313 /nfs/dbraw/zinc/28/83/13/174288313.db2.gz CDVLERKOANPBPN-LBPRGKRZSA-N -1 3 284.743 1.741 10 0 CDAEHM CCC[C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000040486809 174289861 /nfs/dbraw/zinc/28/98/61/174289861.db2.gz ZTCQCISZOOISMT-OLZOCXBDSA-N -1 3 276.336 1.152 10 0 CDAEHM CN1CCCN(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)CC1 ZINC000040520956 174310304 /nfs/dbraw/zinc/31/03/04/174310304.db2.gz HSCQJIYVMYWYMA-UHFFFAOYSA-N -1 3 293.323 1.260 10 0 CDAEHM Cc1ccc(C(=O)[O-])cc1NC(=O)NC1CCN(C)CC1 ZINC000040573638 174339721 /nfs/dbraw/zinc/33/97/21/174339721.db2.gz BEDBZIANQFSFMN-UHFFFAOYSA-N -1 3 291.351 1.909 10 0 CDAEHM CCC(CC)(NC(=O)c1cc(OC)ccc1[O-])C(N)=S ZINC000043327849 175009779 /nfs/dbraw/zinc/00/97/79/175009779.db2.gz LESGQZAUXGEJCD-UHFFFAOYSA-N -1 3 296.392 1.976 10 0 CDAEHM CCc1nc(CCN(CC)CC)ncc1C(=O)[O-] ZINC000043558215 175065077 /nfs/dbraw/zinc/06/50/77/175065077.db2.gz OILKBOGTZNFYFL-UHFFFAOYSA-N -1 3 251.330 1.622 10 0 CDAEHM C[C@@H](C(=O)N1CCC[C@H]1C(=O)[O-])N1[C@@H](C)CC[C@@H]1C ZINC000043559656 175065666 /nfs/dbraw/zinc/06/56/66/175065666.db2.gz MXQNXEWLZJDBAK-BJDJZHNGSA-N -1 3 268.357 1.323 10 0 CDAEHM CCN(CC(=O)[O-])C(=O)[C@@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000043559636 175065887 /nfs/dbraw/zinc/06/58/87/175065887.db2.gz DZPQQWGWIJEXON-GARJFASQSA-N -1 3 256.346 1.181 10 0 CDAEHM CCCC[C@@H](N)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000043601411 175077536 /nfs/dbraw/zinc/07/75/36/175077536.db2.gz UGRWYFVYIRGGQA-ZIAGYGMSSA-N -1 3 290.363 1.715 10 0 CDAEHM CCCNCc1cc2c(cc1O[C@@H](C)C(=O)[O-])OCO2 ZINC000043625614 175081848 /nfs/dbraw/zinc/08/18/48/175081848.db2.gz RIDOVTJKIPPGSS-VIFPVBQESA-N -1 3 281.308 1.767 10 0 CDAEHM C[C@H](Oc1cc2c(cc1CNC1CC1)OCO2)C(=O)[O-] ZINC000043625642 175082124 /nfs/dbraw/zinc/08/21/24/175082124.db2.gz 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/nfs/dbraw/zinc/22/28/78/175222878.db2.gz FLXWWRBMNQBDKA-RYUDHWBXSA-N -1 3 285.388 1.365 10 0 CDAEHM CC[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)N1CCCCC1)C(=O)[O-] ZINC000045013252 175290382 /nfs/dbraw/zinc/29/03/82/175290382.db2.gz GDFYGSIHOUIURF-JHJVBQTASA-N -1 3 299.415 1.659 10 0 CDAEHM CC[C@H](C(=O)[O-])N(C)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000045013486 175290407 /nfs/dbraw/zinc/29/04/07/175290407.db2.gz XQYIQPKGKKYCBO-VXGBXAGGSA-N -1 3 285.388 1.365 10 0 CDAEHM CCc1ccccc1[N-]S(=O)(=O)c1c[nH]ccc1=O ZINC000071221603 176087544 /nfs/dbraw/zinc/08/75/44/176087544.db2.gz IERUBWZYZVGFCE-UHFFFAOYSA-N -1 3 278.333 1.738 10 0 CDAEHM O=C([O-])c1ccc(CNC[C@@H](O)c2ccccc2)o1 ZINC000071380642 176144971 /nfs/dbraw/zinc/14/49/71/176144971.db2.gz LVKHNRKVXJSJQN-GFCCVEGCSA-N -1 3 261.277 1.801 10 0 CDAEHM Cc1cc(CC[N-]S(=O)(=O)c2ccccc2F)on1 ZINC000077123189 177226887 /nfs/dbraw/zinc/22/68/87/177226887.db2.gz NHYURWKLHSUNLM-UHFFFAOYSA-N -1 3 284.312 1.643 10 0 CDAEHM C[C@@H](CS(C)(=O)=O)NCc1ccc([O-])c(Cl)c1 ZINC000078638833 177363833 /nfs/dbraw/zinc/36/38/33/177363833.db2.gz QIAYKPCTOJBZIJ-QMMMGPOBSA-N -1 3 277.773 1.568 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H]3C[C@H]2CS3)c1 ZINC000516911777 260255533 /nfs/dbraw/zinc/25/55/33/260255533.db2.gz OXYKMRGFCXTLBA-QWRGUYRKSA-N -1 3 292.360 1.681 10 0 CDAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CC[C@@]2(CC2(F)F)C1 ZINC000653005655 424095135 /nfs/dbraw/zinc/09/51/35/424095135.db2.gz VCYZZANLABDWAJ-GFCCVEGCSA-N -1 3 296.252 1.968 10 0 CDAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CC[C@@]2(CC2(F)F)C1 ZINC000653005655 424095145 /nfs/dbraw/zinc/09/51/45/424095145.db2.gz VCYZZANLABDWAJ-GFCCVEGCSA-N -1 3 296.252 1.968 10 0 CDAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CC[C@@]2(CC2(F)F)C1 ZINC000653005655 424095154 /nfs/dbraw/zinc/09/51/54/424095154.db2.gz VCYZZANLABDWAJ-GFCCVEGCSA-N -1 3 296.252 1.968 10 0 CDAEHM O=C(c1cccc2[n-]nnc21)N1CC[C@]2(CC2(F)F)C1 ZINC000653004135 424100042 /nfs/dbraw/zinc/10/00/42/424100042.db2.gz LUBOEDOFNHPJLW-LBPRGKRZSA-N -1 3 278.262 1.829 10 0 CDAEHM O=C(c1cccc2nn[n-]c21)N1CC[C@]2(CC2(F)F)C1 ZINC000653004135 424100054 /nfs/dbraw/zinc/10/00/54/424100054.db2.gz LUBOEDOFNHPJLW-LBPRGKRZSA-N -1 3 278.262 1.829 10 0 CDAEHM O=C(c1cccc2n[n-]nc21)N1CC[C@]2(CC2(F)F)C1 ZINC000653004135 424100057 /nfs/dbraw/zinc/10/00/57/424100057.db2.gz LUBOEDOFNHPJLW-LBPRGKRZSA-N -1 3 278.262 1.829 10 0 CDAEHM COCC1(CNC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000655252449 424166795 /nfs/dbraw/zinc/16/67/95/424166795.db2.gz MQTOYCIMSTZDCN-UHFFFAOYSA-N -1 3 267.300 1.617 10 0 CDAEHM CC[C@@H](CC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1)C(C)C ZINC000651979028 424611285 /nfs/dbraw/zinc/61/12/85/424611285.db2.gz SOGIVNCQQBZSNZ-RYUDHWBXSA-N -1 3 293.415 1.963 10 0 CDAEHM C[C@H]1CC[C@H](O)CN1C(=O)c1ccc(O)cc1[O-] ZINC000399230737 270371193 /nfs/dbraw/zinc/37/11/93/270371193.db2.gz JTKXNDLMVMNDDJ-WPRPVWTQSA-N -1 3 251.282 1.083 10 0 CDAEHM O=c1[n-]nc(C2CCN(CCn3cc(Cl)cn3)CC2)o1 ZINC000459438492 270396457 /nfs/dbraw/zinc/39/64/57/270396457.db2.gz UEYCUDUMBRWKGD-UHFFFAOYSA-N -1 3 297.746 1.505 10 0 CDAEHM CCc1ccc(C(=O)NC[C@H](O)[C@H]2CCCO2)c([O-])c1 ZINC000529770759 271033925 /nfs/dbraw/zinc/03/39/25/271033925.db2.gz OQJGNFVDXJAZIN-UONOGXRCSA-N -1 3 279.336 1.224 10 0 CDAEHM O=C(N[C@H](c1ccccn1)C1CCC1)c1c[n-]nn1 ZINC000529825037 271048462 /nfs/dbraw/zinc/04/84/62/271048462.db2.gz IRQDUDJSUNJRME-LBPRGKRZSA-N -1 3 257.297 1.471 10 0 CDAEHM O=C(N[C@H](c1ccccn1)C1CCC1)c1cnn[n-]1 ZINC000529825037 271048463 /nfs/dbraw/zinc/04/84/63/271048463.db2.gz IRQDUDJSUNJRME-LBPRGKRZSA-N -1 3 257.297 1.471 10 0 CDAEHM O=C(N[C@H](c1ccccn1)C1CCC1)c1cn[n-]n1 ZINC000529825037 271048467 /nfs/dbraw/zinc/04/84/67/271048467.db2.gz IRQDUDJSUNJRME-LBPRGKRZSA-N -1 3 257.297 1.471 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000529986597 271087679 /nfs/dbraw/zinc/08/76/79/271087679.db2.gz YGGULQCGUVUAEF-APOZVJGGSA-N -1 3 274.324 1.500 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000529986597 271087684 /nfs/dbraw/zinc/08/76/84/271087684.db2.gz YGGULQCGUVUAEF-APOZVJGGSA-N -1 3 274.324 1.500 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000529986597 271087689 /nfs/dbraw/zinc/08/76/89/271087689.db2.gz YGGULQCGUVUAEF-APOZVJGGSA-N -1 3 274.324 1.500 10 0 CDAEHM CO[C@]1(C(=O)[O-])CCN(CCc2ccccc2F)C1 ZINC000530172519 271130662 /nfs/dbraw/zinc/13/06/62/271130662.db2.gz YSJUMSGKKOMXJL-CQSZACIVSA-N -1 3 267.300 1.544 10 0 CDAEHM CN(OCC(F)(F)F)C(=O)c1csc(=O)[n-]1 ZINC000530257998 271185515 /nfs/dbraw/zinc/18/55/15/271185515.db2.gz OLZFATQUUYUQIZ-UHFFFAOYSA-N -1 3 256.205 1.415 10 0 CDAEHM O=C(c1c([O-])cccc1O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000530277687 271193188 /nfs/dbraw/zinc/19/31/88/271193188.db2.gz XYWGKTOKSSANPY-ARNPGYACSA-N -1 3 295.360 1.223 10 0 CDAEHM CC(=O)N[C@@H]1CCCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000247778864 280346163 /nfs/dbraw/zinc/34/61/63/280346163.db2.gz XFTGGIJSSXOXBA-ZYHUDNBSSA-N -1 3 278.356 1.152 10 0 CDAEHM O=C(Cc1cccc(O)c1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352983324 280658709 /nfs/dbraw/zinc/65/87/09/280658709.db2.gz DZBFVPDNJYPSBC-CYBMUJFWSA-N -1 3 287.319 1.570 10 0 CDAEHM Cc1ccnc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)n1 ZINC000527499563 281145647 /nfs/dbraw/zinc/14/56/47/281145647.db2.gz KNTAXWAQTARFIZ-JTQLQIEISA-N -1 3 273.296 1.034 10 0 CDAEHM CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1cncc(F)c1 ZINC000528496936 281245509 /nfs/dbraw/zinc/24/55/09/281245509.db2.gz PYGXJMHQSXNIIQ-QPUJVOFHSA-N -1 3 286.328 1.067 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCC[C@]2(C)C(=O)OC)n1 ZINC000186403613 281386929 /nfs/dbraw/zinc/38/69/29/281386929.db2.gz GWJHYHUXBMFWMN-CQSZACIVSA-N -1 3 279.340 1.272 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1 ZINC000529990041 281408723 /nfs/dbraw/zinc/40/87/23/281408723.db2.gz ZZMBPSAMTAGXME-QSDJMHMYSA-N -1 3 279.336 1.943 10 0 CDAEHM Cc1ccc(C(=O)Nc2cnn(-c3ncccn3)c2)c([O-])c1 ZINC000151837071 289105795 /nfs/dbraw/zinc/10/57/95/289105795.db2.gz VHNNPUFZKQFAPR-UHFFFAOYSA-N -1 3 295.302 1.929 10 0 CDAEHM COc1cc(=NC(=O)CCc2ccccc2)[n-]n1C ZINC000547816042 289811991 /nfs/dbraw/zinc/81/19/91/289811991.db2.gz XBFSUZLIMYKPPR-UHFFFAOYSA-N -1 3 259.309 1.422 10 0 CDAEHM COc1cc(=NC(=O)N[C@@H](C)c2ccccc2)[n-]n1C ZINC000547845860 289816173 /nfs/dbraw/zinc/81/61/73/289816173.db2.gz TUAYISSIQUQPPG-JTQLQIEISA-N -1 3 274.324 1.733 10 0 CDAEHM COCc1nc(C(=O)[N-]c2cc(C(=O)OC)cs2)co1 ZINC000548170016 289853688 /nfs/dbraw/zinc/85/36/88/289853688.db2.gz UFLHTRRRRVEFCP-UHFFFAOYSA-N -1 3 296.304 1.921 10 0 CDAEHM COc1cc(=NC(=O)c2nc(C3CC3)oc2C)[n-]n1C ZINC000552461643 290071986 /nfs/dbraw/zinc/07/19/86/290071986.db2.gz VPXOJKQJYLKGCY-UHFFFAOYSA-N -1 3 276.296 1.277 10 0 CDAEHM COc1cc(=NC(=O)N2CCCC[C@H]2C(F)F)[n-]n1C ZINC000554576007 290177965 /nfs/dbraw/zinc/17/79/65/290177965.db2.gz GCRQZVPMPYLQNI-QMMMGPOBSA-N -1 3 288.298 1.502 10 0 CDAEHM C[C@@]1(F)CCCN(C(=O)c2cccc3[n-]nnc32)C1 ZINC000556377409 290265457 /nfs/dbraw/zinc/26/54/57/290265457.db2.gz AVQGLRSPHZWSDJ-CYBMUJFWSA-N -1 3 262.288 1.922 10 0 CDAEHM C[C@@]1(F)CCCN(C(=O)c2cccc3nn[n-]c32)C1 ZINC000556377409 290265460 /nfs/dbraw/zinc/26/54/60/290265460.db2.gz AVQGLRSPHZWSDJ-CYBMUJFWSA-N -1 3 262.288 1.922 10 0 CDAEHM C[C@@]1(F)CCCN(C(=O)c2cccc3n[n-]nc32)C1 ZINC000556377409 290265462 /nfs/dbraw/zinc/26/54/62/290265462.db2.gz AVQGLRSPHZWSDJ-CYBMUJFWSA-N -1 3 262.288 1.922 10 0 CDAEHM CC1CCN(CCN=c2[n-]c(C3CCOCC3)no2)CC1 ZINC000563310095 293338663 /nfs/dbraw/zinc/33/86/63/293338663.db2.gz UAPHXLQRRBFUOI-UHFFFAOYSA-N -1 3 294.399 1.529 10 0 CDAEHM Cc1nc2n[n-]c(I)c2c(Cl)n1 ZINC000238520363 293399418 /nfs/dbraw/zinc/39/94/18/293399418.db2.gz RTBDBELYNNPOKW-UHFFFAOYSA-N -1 3 294.483 1.919 10 0 CDAEHM CC[C@H](C)C[C@H]([N-]S(=O)(=O)CCCF)C(=O)OC ZINC000564910783 293453428 /nfs/dbraw/zinc/45/34/28/293453428.db2.gz HFHNAZIJSCHRPA-UWVGGRQHSA-N -1 3 283.365 1.243 10 0 CDAEHM CCC[C@@H](C)[C@H](CO)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000569128082 294163878 /nfs/dbraw/zinc/16/38/78/294163878.db2.gz GJYORTKXOWXBLF-PELKAZGASA-N -1 3 294.330 1.624 10 0 CDAEHM CCC[C@@H](C)[C@H](CO)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000569128082 294163882 /nfs/dbraw/zinc/16/38/82/294163882.db2.gz GJYORTKXOWXBLF-PELKAZGASA-N -1 3 294.330 1.624 10 0 CDAEHM CCC[C@@H](C)[C@H](CO)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000569128082 294163884 /nfs/dbraw/zinc/16/38/84/294163884.db2.gz GJYORTKXOWXBLF-PELKAZGASA-N -1 3 294.330 1.624 10 0 CDAEHM Cn1ccc(CNC2(C(=O)[O-])CCC(F)(F)CC2)n1 ZINC000572059131 294550618 /nfs/dbraw/zinc/55/06/18/294550618.db2.gz KKXSPGGNQWHKAF-UHFFFAOYSA-N -1 3 273.283 1.542 10 0 CDAEHM O=S(=O)([N-]C[C@@H](O)Cc1ccccc1)c1cscn1 ZINC000573679120 294864705 /nfs/dbraw/zinc/86/47/05/294864705.db2.gz DCSHDWXZABZLSI-NSHDSACASA-N -1 3 298.389 1.025 10 0 CDAEHM Nc1ccc([O-])c(I)c1F ZINC000299890394 295354647 /nfs/dbraw/zinc/35/46/47/295354647.db2.gz YWTQVVRWFLAGPT-UHFFFAOYSA-N -1 3 253.014 1.718 10 0 CDAEHM C[C@H]1CC[C@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)O1 ZINC000150757538 300053152 /nfs/dbraw/zinc/05/31/52/300053152.db2.gz HGJYBOIJDQMADL-CRCLSJGQSA-N -1 3 264.207 1.330 10 0 CDAEHM C[C@H]1CC[C@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)O1 ZINC000150757538 300053156 /nfs/dbraw/zinc/05/31/56/300053156.db2.gz HGJYBOIJDQMADL-CRCLSJGQSA-N -1 3 264.207 1.330 10 0 CDAEHM Cc1cc(C)c(C(=O)[O-])c(N2CCN(C(C)C)CC2)n1 ZINC000038010253 301172687 /nfs/dbraw/zinc/17/26/87/301172687.db2.gz DPSXCLZJUQJIPN-UHFFFAOYSA-N -1 3 277.368 1.927 10 0 CDAEHM COc1cc(=NC(=O)N2CCC[C@@H](CSC)C2)[n-]n1C ZINC000577463075 317333749 /nfs/dbraw/zinc/33/37/49/317333749.db2.gz NVZPHVSSSHSEOR-SNVBAGLBSA-N -1 3 298.412 1.458 10 0 CDAEHM CCc1cccc(C(=O)NC2(C(=O)N(C)C)CC2)c1[O-] ZINC000577707985 317385470 /nfs/dbraw/zinc/38/54/70/317385470.db2.gz GIHNAPIQYSIKSU-UHFFFAOYSA-N -1 3 276.336 1.305 10 0 CDAEHM O=C(NCCCn1ccnn1)NCc1ccc([O-])c(F)c1 ZINC000183549782 323340119 /nfs/dbraw/zinc/34/01/19/323340119.db2.gz YUBNVKGOYAMBEL-UHFFFAOYSA-N -1 3 293.302 1.012 10 0 CDAEHM CCN1CCC(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000387214545 323763004 /nfs/dbraw/zinc/76/30/04/323763004.db2.gz KGBMGONHKQQJBB-GFCCVEGCSA-N -1 3 299.415 1.517 10 0 CDAEHM COc1cccc(C(=O)NCc2cccc(CO)n2)c1[O-] ZINC000580630407 324516109 /nfs/dbraw/zinc/51/61/09/324516109.db2.gz IAZRPUVMFFNZCA-UHFFFAOYSA-N -1 3 288.303 1.218 10 0 CDAEHM Cc1ncsc1CC[N-]S(=O)(=O)c1cscn1 ZINC000581426842 324741506 /nfs/dbraw/zinc/74/15/06/324741506.db2.gz LXCWSPWEJYQLBJ-UHFFFAOYSA-N -1 3 289.407 1.429 10 0 CDAEHM CC[C@H](C)C[C@@H](N=c1ncnc2[nH][n-]cc1-2)C(=O)OC ZINC000581485653 324758830 /nfs/dbraw/zinc/75/88/30/324758830.db2.gz GIUCGOZPJQHZTP-WCBMZHEXSA-N -1 3 277.328 1.116 10 0 CDAEHM Cc1cc(C[N-]S(=O)(=O)C[C@@H]2CCCC2(F)F)no1 ZINC000583422539 325170932 /nfs/dbraw/zinc/17/09/32/325170932.db2.gz ZVRQMLRUHOLHJI-VIFPVBQESA-N -1 3 294.323 1.838 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C[C@H](O)C2CCCCC2)nc1=N ZINC000583853237 325252360 /nfs/dbraw/zinc/25/23/60/325252360.db2.gz IFDQNIVHXNYKQP-STQMWFEESA-N -1 3 293.415 1.306 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1cnn2c1OCCC2)C(C)(C)C ZINC000584296184 327226230 /nfs/dbraw/zinc/22/62/30/327226230.db2.gz HFQMOGQTXRLJQK-SECBINFHSA-N -1 3 287.385 1.379 10 0 CDAEHM O=C([O-])[C@]12CCO[C@@H]1CCN(Cc1ccccc1)C2 ZINC000536956982 330383356 /nfs/dbraw/zinc/38/33/56/330383356.db2.gz BMRGBWQYVDZOHF-HIFRSBDPSA-N -1 3 261.321 1.752 10 0 CDAEHM CCn1cc(CNC[C@@H]2CCCC[C@@H]2C(=O)[O-])nn1 ZINC000714436147 1160381404 /nfs/dbraw/zinc/38/14/04/1160381404.db2.gz IPPHQKKHOGVZDJ-JQWIXIFHSA-N -1 3 266.345 1.279 10 0 CDAEHM O=S(=O)([N-]CCOCCCO)c1ccc(Cl)s1 ZINC000352336804 1160542772 /nfs/dbraw/zinc/54/27/72/1160542772.db2.gz ADGXRGAGMVYXKQ-UHFFFAOYSA-N -1 3 299.801 1.079 10 0 CDAEHM CN(C(=O)[C@]1(C(=O)[O-])CC=CCC1)[C@H]1CCN(C2CC2)C1 ZINC000653309673 482425974 /nfs/dbraw/zinc/42/59/74/482425974.db2.gz JEPNUPYITYKFCP-BBRMVZONSA-N -1 3 292.379 1.493 10 0 CDAEHM CCN(C(=O)c1cc([O-])c2ccccc2c1)[C@H]1CCNC1=O ZINC000282225550 482463743 /nfs/dbraw/zinc/46/37/43/482463743.db2.gz QRXAZLKLHCWOQP-AWEZNQCLSA-N -1 3 298.342 1.896 10 0 CDAEHM C[C@@H](CO)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000282992385 482469026 /nfs/dbraw/zinc/46/90/26/482469026.db2.gz FQHMEFXZALXNRV-JTQLQIEISA-N -1 3 259.305 1.998 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC3(CC(F)C3)C2)c1 ZINC000677125251 482540290 /nfs/dbraw/zinc/54/02/90/482540290.db2.gz POLCGERRYRPJQY-UHFFFAOYSA-N -1 3 292.310 1.925 10 0 CDAEHM O=C(c1ccc([O-])cc1F)N1CC[C@H](N2CCC2)[C@H](F)C1 ZINC000684182808 482677065 /nfs/dbraw/zinc/67/70/65/482677065.db2.gz BBVAEBYZKASGRX-KGLIPLIRSA-N -1 3 296.317 1.790 10 0 CDAEHM C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1csc(=O)[n-]1 ZINC000672186341 482680483 /nfs/dbraw/zinc/68/04/83/482680483.db2.gz LCDZRRHPEHIZJV-VDTYLAMSSA-N -1 3 296.270 1.641 10 0 CDAEHM Cc1cccc2c(=O)c(C(=O)N[C@@H]3CCCN(C)C3)c[n-]c12 ZINC000681514430 482878207 /nfs/dbraw/zinc/87/82/07/482878207.db2.gz OWHDGCFOKAVGBG-GFCCVEGCSA-N -1 3 299.374 1.661 10 0 CDAEHM C[C@@H]1C[C@@H]1CN=c1cc(NC[C@H]2C[C@@H]2C)n2[n-]cnc2n1 ZINC000684570402 482886159 /nfs/dbraw/zinc/88/61/59/482886159.db2.gz RLUQSTILJRZOEZ-WRWGMCAJSA-N -1 3 286.383 1.682 10 0 CDAEHM CC[C@@H](CN1CCCC1)NC(=O)c1ncc(C)cc1[O-] ZINC000681731990 482978171 /nfs/dbraw/zinc/97/81/71/482978171.db2.gz KNVFDJFYMXVADH-LBPRGKRZSA-N -1 3 277.368 1.700 10 0 CDAEHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000667023520 483056070 /nfs/dbraw/zinc/05/60/70/483056070.db2.gz RLERFXLAXMGFNG-MYJAWHEDSA-N -1 3 269.308 1.851 10 0 CDAEHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000667023520 483056076 /nfs/dbraw/zinc/05/60/76/483056076.db2.gz RLERFXLAXMGFNG-MYJAWHEDSA-N -1 3 269.308 1.851 10 0 CDAEHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000667023520 483056081 /nfs/dbraw/zinc/05/60/81/483056081.db2.gz RLERFXLAXMGFNG-MYJAWHEDSA-N -1 3 269.308 1.851 10 0 CDAEHM COc1nnc(NC(=O)Cc2cc3ccccc3o2)[n-]1 ZINC000679319642 483336766 /nfs/dbraw/zinc/33/67/66/483336766.db2.gz KYNWAYDGEJMDPM-UHFFFAOYSA-N -1 3 272.264 1.741 10 0 CDAEHM COc1nc(NC(=O)Cc2cc3ccccc3o2)n[n-]1 ZINC000679319642 483336770 /nfs/dbraw/zinc/33/67/70/483336770.db2.gz KYNWAYDGEJMDPM-UHFFFAOYSA-N -1 3 272.264 1.741 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2cc3ccccc3o2)n1 ZINC000679319642 483336774 /nfs/dbraw/zinc/33/67/74/483336774.db2.gz KYNWAYDGEJMDPM-UHFFFAOYSA-N -1 3 272.264 1.741 10 0 CDAEHM C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)c1ccc([O-])c(F)c1 ZINC000668040889 483543964 /nfs/dbraw/zinc/54/39/64/483543964.db2.gz NWXDGQAYXCEYMG-WDEREUQCSA-N -1 3 296.342 1.058 10 0 CDAEHM CC(C)(C)S(=O)(=O)CCNC(=O)c1cccc([O-])c1 ZINC000182440032 518901213 /nfs/dbraw/zinc/90/12/13/518901213.db2.gz HAHFFIDNABRDGA-UHFFFAOYSA-N -1 3 285.365 1.335 10 0 CDAEHM CC(C)NC(=O)[C@H](C)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000062875967 519715276 /nfs/dbraw/zinc/71/52/76/519715276.db2.gz TYXHAVYAMLOHLF-GXFFZTMASA-N -1 3 256.346 1.086 10 0 CDAEHM CC(C)C[C@@H](CN(C)C)NC(=O)N(C)C(C)(C)C(=O)[O-] ZINC000061175852 519775192 /nfs/dbraw/zinc/77/51/92/519775192.db2.gz RIQHXOMHUOODGF-NSHDSACASA-N -1 3 287.404 1.467 10 0 CDAEHM CC(C)[C@@H](CN(C)C)NC(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000049230591 519793403 /nfs/dbraw/zinc/79/34/03/519793403.db2.gz PZRVEVPZHVUVFD-BXUZGUMPSA-N -1 3 285.388 1.125 10 0 CDAEHM CC(C)[C@@H](N)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050927207 519796200 /nfs/dbraw/zinc/79/62/00/519796200.db2.gz JUEAQKMQEQVHNA-ZYHUDNBSSA-N -1 3 256.346 1.216 10 0 CDAEHM CCC1(NC(=O)Cc2c(C)nc(C)[n-]c2=O)CCC1 ZINC000357349214 519844926 /nfs/dbraw/zinc/84/49/26/519844926.db2.gz PKUHGTLEBQGEHE-UHFFFAOYSA-N -1 3 263.341 1.790 10 0 CDAEHM CCN(CC(=O)N(C)c1ccccc1)[C@H](C)CC(=O)[O-] ZINC000061183530 520306601 /nfs/dbraw/zinc/30/66/01/520306601.db2.gz NRKLWHOGGGGKLN-GFCCVEGCSA-N -1 3 278.352 1.835 10 0 CDAEHM CCOc1cccc(CNCCOC)c1O[C@H](C)C(=O)[O-] ZINC000062732806 521362974 /nfs/dbraw/zinc/36/29/74/521362974.db2.gz WXJCBFGZPYEXAW-LLVKDONJSA-N -1 3 297.351 1.673 10 0 CDAEHM CCC(C)(CC)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000112938051 521375787 /nfs/dbraw/zinc/37/57/87/521375787.db2.gz QOFXHRJMMRFSMG-UHFFFAOYSA-N -1 3 265.357 1.624 10 0 CDAEHM CCCn1c(=O)[n-]nc1Sc1cc(Cl)ncn1 ZINC000061596019 521615679 /nfs/dbraw/zinc/61/56/79/521615679.db2.gz DWXZNNJSUZEILK-UHFFFAOYSA-N -1 3 271.733 1.576 10 0 CDAEHM CCCn1c(=O)[n-]nc1SCCc1ccnn1CC ZINC000340637854 521633447 /nfs/dbraw/zinc/63/34/47/521633447.db2.gz BFXOPCKWUVYBFM-UHFFFAOYSA-N -1 3 281.385 1.945 10 0 CDAEHM CCN1CCC[C@H](NC(=O)NCCCCCCC(=O)[O-])C1 ZINC000049227713 521644943 /nfs/dbraw/zinc/64/49/43/521644943.db2.gz DSAKFWLFIGTBIL-ZDUSSCGKSA-N -1 3 299.415 1.805 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2CCC[C@H]3COCC[C@@H]32)cs1 ZINC000340729946 521731144 /nfs/dbraw/zinc/73/11/44/521731144.db2.gz WVLWVWMPBORELS-JQWIXIFHSA-N -1 3 295.408 1.638 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000061564340 521956829 /nfs/dbraw/zinc/95/68/29/521956829.db2.gz PQRAWZVXBUYJNN-KGFZYKRKSA-N -1 3 286.278 1.975 10 0 CDAEHM CC[C@@H](C)N1CCN(Cc2ccnc(C(=O)[O-])c2)CC1 ZINC000068763869 522126051 /nfs/dbraw/zinc/12/60/51/522126051.db2.gz YWFRJHCOMUDCDL-GFCCVEGCSA-N -1 3 277.368 1.696 10 0 CDAEHM CNCc1cccc(NC(=O)N(C)C(C)(C)C(=O)[O-])c1 ZINC000061174494 522130116 /nfs/dbraw/zinc/13/01/16/522130116.db2.gz BPFUNZCQFVUDQR-UHFFFAOYSA-N -1 3 279.340 1.733 10 0 CDAEHM CNCc1ccccc1NC(=O)N[C@H](CCOC)C(=O)[O-] ZINC000052787434 522137026 /nfs/dbraw/zinc/13/70/26/522137026.db2.gz WNXPBQJNUXVHCU-GFCCVEGCSA-N -1 3 295.339 1.017 10 0 CDAEHM COc1cc(NC(=O)c2nnc(N)[n-]2)c(OC)cc1Cl ZINC000055164023 522734878 /nfs/dbraw/zinc/73/48/78/522734878.db2.gz YABGKBKKMLQKSR-UHFFFAOYSA-N -1 3 297.702 1.310 10 0 CDAEHM COc1cc(NC(=O)c2nc(N)n[n-]2)c(OC)cc1Cl ZINC000055164023 522734886 /nfs/dbraw/zinc/73/48/86/522734886.db2.gz YABGKBKKMLQKSR-UHFFFAOYSA-N -1 3 297.702 1.310 10 0 CDAEHM COc1cc(NC(=O)c2n[n-]c(N)n2)c(OC)cc1Cl ZINC000055164023 522734889 /nfs/dbraw/zinc/73/48/89/522734889.db2.gz YABGKBKKMLQKSR-UHFFFAOYSA-N -1 3 297.702 1.310 10 0 CDAEHM CC[C@]1(C(=O)[O-])CCCN(C(=O)C2(N)CCCCC2)C1 ZINC000062870769 523545244 /nfs/dbraw/zinc/54/52/44/523545244.db2.gz RMPQLDOMWWVWFC-AWEZNQCLSA-N -1 3 282.384 1.751 10 0 CDAEHM CN(c1cc(N)ccc1C(=O)[O-])C1CCN(C)CC1 ZINC000069512793 523632194 /nfs/dbraw/zinc/63/21/94/523632194.db2.gz BYMGDJQSSIOLPT-UHFFFAOYSA-N -1 3 263.341 1.497 10 0 CDAEHM CN1CCCN(c2nc3c(cc2C(=O)[O-])CCC3)CC1 ZINC000054532404 523811535 /nfs/dbraw/zinc/81/15/35/523811535.db2.gz MTZSJNJTZMCGPX-UHFFFAOYSA-N -1 3 275.352 1.410 10 0 CDAEHM C[C@H](CN1CCCCC1)NC(=O)N(C)C(C)(C)C(=O)[O-] ZINC000061175678 524327951 /nfs/dbraw/zinc/32/79/51/524327951.db2.gz CTYQVGZJENZRFS-LLVKDONJSA-N -1 3 285.388 1.365 10 0 CDAEHM C[C@@H](CN1CCCCC1)NC(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000049502770 524601247 /nfs/dbraw/zinc/60/12/47/524601247.db2.gz RVIYORUYFNNKEI-NHYWBVRUSA-N -1 3 297.399 1.413 10 0 CDAEHM Cc1cc(NC(=O)c2nnc(N)[n-]2)ccc1Br ZINC000055164071 525260872 /nfs/dbraw/zinc/26/08/72/525260872.db2.gz SZHQENGHMPHCLF-UHFFFAOYSA-N -1 3 296.128 1.710 10 0 CDAEHM Cc1cc(NC(=O)c2nc(N)n[n-]2)ccc1Br ZINC000055164071 525260879 /nfs/dbraw/zinc/26/08/79/525260879.db2.gz SZHQENGHMPHCLF-UHFFFAOYSA-N -1 3 296.128 1.710 10 0 CDAEHM Cc1cc(NC(=O)c2n[n-]c(N)n2)ccc1Br ZINC000055164071 525260884 /nfs/dbraw/zinc/26/08/84/525260884.db2.gz SZHQENGHMPHCLF-UHFFFAOYSA-N -1 3 296.128 1.710 10 0 CDAEHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cccc([O-])c1 ZINC000182475784 525658297 /nfs/dbraw/zinc/65/82/97/525658297.db2.gz KCBXLSAQEIPVFC-NXEZZACHSA-N -1 3 283.349 1.040 10 0 CDAEHM [O-]c1ccc(CNCc2nc[nH]n2)cc1Br ZINC000062702738 526344387 /nfs/dbraw/zinc/34/43/87/526344387.db2.gz SPZLMCVRZOTFSA-UHFFFAOYSA-N -1 3 283.129 1.563 10 0 CDAEHM [O-]c1ccc(CNCc2nnc[nH]2)cc1Br ZINC000062702738 526344392 /nfs/dbraw/zinc/34/43/92/526344392.db2.gz SPZLMCVRZOTFSA-UHFFFAOYSA-N -1 3 283.129 1.563 10 0 CDAEHM c1cc(NCc2cnccn2)cc(-c2nnn[n-]2)c1 ZINC000054766245 526433359 /nfs/dbraw/zinc/43/33/59/526433359.db2.gz KWTMJUMOSGAWEL-UHFFFAOYSA-N -1 3 253.269 1.269 10 0 CDAEHM c1cc(NCc2cnccn2)cc(-c2nn[n-]n2)c1 ZINC000054766245 526433364 /nfs/dbraw/zinc/43/33/64/526433364.db2.gz KWTMJUMOSGAWEL-UHFFFAOYSA-N -1 3 253.269 1.269 10 0 CDAEHM O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccccc1[O-] ZINC000068208488 527048746 /nfs/dbraw/zinc/04/87/46/527048746.db2.gz ALLKJNBHIJXZDJ-AWEZNQCLSA-N -1 3 296.326 1.928 10 0 CDAEHM Cn1c(CS(=O)(=O)c2cccc([O-])c2)nnc1C1CC1 ZINC000183999895 527065693 /nfs/dbraw/zinc/06/56/93/527065693.db2.gz ZKIUHJMDJBHNEI-UHFFFAOYSA-N -1 3 293.348 1.372 10 0 CDAEHM NC[C@@H](C(=O)N1CCC[C@H]1CC(=O)[O-])c1ccccc1 ZINC000061612760 527201002 /nfs/dbraw/zinc/20/10/02/527201002.db2.gz GDVZMHKBSPZUEM-QWHCGFSZSA-N -1 3 276.336 1.195 10 0 CDAEHM O=S(=O)(c1ccc([O-])cc1)N1CCC[C@H]1CCCO ZINC000052763946 527277629 /nfs/dbraw/zinc/27/76/29/527277629.db2.gz QHDDTJSRXYRORU-NSHDSACASA-N -1 3 285.365 1.318 10 0 CDAEHM NNc1ccc(Cl)c(CSc2nccc(=O)[n-]2)n1 ZINC000061640124 527280195 /nfs/dbraw/zinc/28/01/95/527280195.db2.gz XQTJAJNKLQMWSE-UHFFFAOYSA-N -1 3 283.744 1.809 10 0 CDAEHM Nc1cc(S(=O)(=O)[N-]c2cccc(F)c2F)ccn1 ZINC000050662745 527460503 /nfs/dbraw/zinc/46/05/03/527460503.db2.gz RPFUBAWWIYTYLX-UHFFFAOYSA-N -1 3 285.275 1.743 10 0 CDAEHM 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CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](C)Cc2ccccn2)nn1 ZINC000867485467 1164830603 /nfs/dbraw/zinc/83/06/03/1164830603.db2.gz BGGHHXVCAISWTP-LLVKDONJSA-N -1 3 292.364 1.090 10 0 CDAEHM CC(C)(C)CC(=O)[N-]OCc1cn(C[C@H]2CCOC2)nn1 ZINC000871752739 1165338539 /nfs/dbraw/zinc/33/85/39/1165338539.db2.gz GKTRRXORWXLXSI-LLVKDONJSA-N -1 3 296.371 1.299 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccsc1C ZINC001615963112 1165562125 /nfs/dbraw/zinc/56/21/25/1165562125.db2.gz NFMXKWMBSZECMP-VIFPVBQESA-N -1 3 265.338 1.298 10 0 CDAEHM O=C(Nc1ccc[n+]([O-])c1)c1[n-]cnc1C(F)(F)F ZINC001630548196 1166214111 /nfs/dbraw/zinc/21/41/11/1166214111.db2.gz GLXGXDHUTXLXKU-UHFFFAOYSA-N -1 3 272.186 1.314 10 0 CDAEHM O=C(Nc1ccc[n+]([O-])c1)c1nc[n-]c1C(F)(F)F ZINC001630548196 1166214122 /nfs/dbraw/zinc/21/41/22/1166214122.db2.gz GLXGXDHUTXLXKU-UHFFFAOYSA-N -1 3 272.186 1.314 10 0 CDAEHM CCCCC(=O)NCCNC(=O)c1ccccc1[O-] ZINC000048926002 1166512747 /nfs/dbraw/zinc/51/27/47/1166512747.db2.gz MGQHKUWSWXFCOQ-UHFFFAOYSA-N -1 3 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C[C@]1(C(=O)[O-])CCC[C@H]1NCc1cn(C2CCC2)nn1 ZINC001650010085 1169599640 /nfs/dbraw/zinc/59/96/40/1169599640.db2.gz FPVPJTFQTNAEDW-OCCSQVGLSA-N -1 3 278.356 1.736 10 0 CDAEHM Cc1nc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)co1 ZINC001363737484 953725301 /nfs/dbraw/zinc/72/53/01/953725301.db2.gz LWXOIIABEFDWAF-BYPYZUCNSA-N -1 3 289.217 1.611 10 0 CDAEHM CCC/C=C\[C@H](O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001292433707 954156671 /nfs/dbraw/zinc/15/66/71/954156671.db2.gz WRDXBRHADTVAKU-RXNFCKPNSA-N -1 3 287.323 1.522 10 0 CDAEHM CCC/C=C\[C@H](O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001292433707 954156677 /nfs/dbraw/zinc/15/66/77/954156677.db2.gz WRDXBRHADTVAKU-RXNFCKPNSA-N -1 3 287.323 1.522 10 0 CDAEHM COC(=O)Cc1n[n-]c(NC(=O)C=C(C)c2ccco2)n1 ZINC001293873511 954426504 /nfs/dbraw/zinc/42/65/04/954426504.db2.gz GDYDRCKDQRWJPS-VURMDHGXSA-N -1 3 290.279 1.155 10 0 CDAEHM COC(=O)Cc1nc(NC(=O)C=C(C)c2ccco2)n[n-]1 ZINC001293873511 954426508 /nfs/dbraw/zinc/42/65/08/954426508.db2.gz GDYDRCKDQRWJPS-VURMDHGXSA-N -1 3 290.279 1.155 10 0 CDAEHM O=C(Nc1cc(F)ccc1[O-])c1cnc2n1CCC2 ZINC001295978280 954779460 /nfs/dbraw/zinc/77/94/60/954779460.db2.gz DPIBWOUYKPFLKY-UHFFFAOYSA-N -1 3 261.256 1.926 10 0 CDAEHM O=C(Cc1cnc[nH]1)Nc1ccc([O-])c(F)c1F ZINC001297820056 955083142 /nfs/dbraw/zinc/08/31/42/955083142.db2.gz GCSCZXXDVGVRQO-UHFFFAOYSA-N -1 3 253.208 1.575 10 0 CDAEHM O=C(CCc1ccccn1)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001363404021 972141974 /nfs/dbraw/zinc/14/19/74/972141974.db2.gz KFEYLPGTSIATIC-UHFFFAOYSA-N -1 3 298.346 1.704 10 0 CDAEHM O=C(N[C@H]1CCCC[C@H]1F)c1cccc2n[n-]nc21 ZINC001329566318 955993011 /nfs/dbraw/zinc/99/30/11/955993011.db2.gz YIKCYWLWZKNWKG-ZJUUUORDSA-N -1 3 262.288 1.968 10 0 CDAEHM CC(C)n1ncnc1CN[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC001332424564 957560024 /nfs/dbraw/zinc/56/00/24/957560024.db2.gz YROVXHUIUSZPDX-GXFFZTMASA-N -1 3 266.345 1.592 10 0 CDAEHM CCc1ccc2c(c1)[C@@H](NC(=O)c1cc(=O)[n-]cn1)CCO2 ZINC001433936976 960784223 /nfs/dbraw/zinc/78/42/23/960784223.db2.gz 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CDAEHM Cc1ccc(C(=O)NC[C@H](O)C(F)(F)F)c([O-])c1 ZINC000081855763 358140744 /nfs/dbraw/zinc/14/07/44/358140744.db2.gz AHGLFVGCYWKTMM-VIFPVBQESA-N -1 3 263.215 1.354 10 0 CDAEHM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000089783282 358435036 /nfs/dbraw/zinc/43/50/36/358435036.db2.gz UGTFASDNVOMOMT-SECBINFHSA-N -1 3 291.394 1.758 10 0 CDAEHM O=S(=O)(c1nc2ccccc2[n-]1)[C@H]1CCCNC1 ZINC000095073064 358673346 /nfs/dbraw/zinc/67/33/46/358673346.db2.gz WPEZKXWSWOZHSB-VIFPVBQESA-N -1 3 265.338 1.089 10 0 CDAEHM CN(C)S(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000311588950 358883325 /nfs/dbraw/zinc/88/33/25/358883325.db2.gz ZNXYFGVXKSKJID-UHFFFAOYSA-N -1 3 278.337 1.362 10 0 CDAEHM CC[C@H](Oc1ccccc1F)C(=O)Nc1nnc(OC)[n-]1 ZINC000179376307 366533360 /nfs/dbraw/zinc/53/33/60/366533360.db2.gz VMCSBJNUZNXTIH-VIFPVBQESA-N -1 3 294.286 1.749 10 0 CDAEHM CC[C@H](Oc1ccccc1F)C(=O)Nc1n[n-]c(OC)n1 ZINC000179376307 366533363 /nfs/dbraw/zinc/53/33/63/366533363.db2.gz VMCSBJNUZNXTIH-VIFPVBQESA-N -1 3 294.286 1.749 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CCN(Cc1cn(C)nn1)C(=O)c1ccccc1[O-] ZINC000436707484 361561653 /nfs/dbraw/zinc/56/16/53/361561653.db2.gz UXDMVEWPVLIEFB-UHFFFAOYSA-N -1 3 260.297 1.183 10 0 CDAEHM COCCCOC1CN(C(=O)c2cccc(OC)c2[O-])C1 ZINC000436923277 361608637 /nfs/dbraw/zinc/60/86/37/361608637.db2.gz SQMQYSLPIBMGKM-UHFFFAOYSA-N -1 3 295.335 1.278 10 0 CDAEHM O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000629124390 361580010 /nfs/dbraw/zinc/58/00/10/361580010.db2.gz NAUIJVMNOFNYBV-CMPLNLGQSA-N -1 3 289.335 1.357 10 0 CDAEHM CCc1ccc(C(=O)N(CCOC)[C@H]2CCOC2)c([O-])c1 ZINC000436830517 361585802 /nfs/dbraw/zinc/58/58/02/361585802.db2.gz CYXAFFMIAKBGJL-ZDUSSCGKSA-N -1 3 293.363 1.832 10 0 CDAEHM CCOC[C@H](C)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436835216 361586809 /nfs/dbraw/zinc/58/68/09/361586809.db2.gz UUIRUQUSFQCVTK-VIFPVBQESA-N -1 3 283.324 1.564 10 0 CDAEHM Cc1ccc(C(=O)N2CCN3CCOC[C@H]3C2)c([O-])c1C ZINC000436986441 361630993 /nfs/dbraw/zinc/63/09/93/361630993.db2.gz FYXFDQZVMQWOPD-CYBMUJFWSA-N -1 3 290.363 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/nfs/dbraw/zinc/07/69/69/365076969.db2.gz KVJIBOLJOJOWEL-JOYOIKCWSA-N -1 3 274.324 1.455 10 0 CDAEHM CO[C@@H]1CN(C(=O)c2cccc3n[n-]nc32)CC[C@@H]1C ZINC000188130139 365076974 /nfs/dbraw/zinc/07/69/74/365076974.db2.gz KVJIBOLJOJOWEL-JOYOIKCWSA-N -1 3 274.324 1.455 10 0 CDAEHM COc1nnc(NC(=O)c2csc(C(C)(C)C)n2)[n-]1 ZINC000272519451 365274904 /nfs/dbraw/zinc/27/49/04/365274904.db2.gz PTCXCKZIWPOGBX-UHFFFAOYSA-N -1 3 281.341 1.820 10 0 CDAEHM COc1nc(NC(=O)c2csc(C(C)(C)C)n2)n[n-]1 ZINC000272519451 365274906 /nfs/dbraw/zinc/27/49/06/365274906.db2.gz PTCXCKZIWPOGBX-UHFFFAOYSA-N -1 3 281.341 1.820 10 0 CDAEHM COc1n[n-]c(NC(=O)c2csc(C(C)(C)C)n2)n1 ZINC000272519451 365274911 /nfs/dbraw/zinc/27/49/11/365274911.db2.gz PTCXCKZIWPOGBX-UHFFFAOYSA-N -1 3 281.341 1.820 10 0 CDAEHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)C(C)C)c([O-])c1 ZINC000171397449 365271001 /nfs/dbraw/zinc/27/10/01/365271001.db2.gz VBILTRGHMWOJTN-LBPRGKRZSA-N -1 3 292.379 1.981 10 0 CDAEHM COC(=O)[C@@]1(F)CCN(C(=O)c2cccc([O-])c2)C1 ZINC000272715118 365362374 /nfs/dbraw/zinc/36/23/74/365362374.db2.gz FTNPPNGGHYRAQO-CYBMUJFWSA-N -1 3 267.256 1.119 10 0 CDAEHM C[C@@H]1COCC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000278469496 366875344 /nfs/dbraw/zinc/87/53/44/366875344.db2.gz JRSHYJJRRJANIT-KCJUWKMLSA-N -1 3 251.282 1.253 10 0 CDAEHM CC1(C)CC[C@@H](CNC(=O)c2cccc3nn[n-]c32)O1 ZINC000188878839 365453579 /nfs/dbraw/zinc/45/35/79/365453579.db2.gz DJGCQGZEVXIRRY-VIFPVBQESA-N -1 3 274.324 1.645 10 0 CDAEHM CC1(C)CC[C@@H](CNC(=O)c2cccc3[n-]nnc32)O1 ZINC000188878839 365453583 /nfs/dbraw/zinc/45/35/83/365453583.db2.gz DJGCQGZEVXIRRY-VIFPVBQESA-N -1 3 274.324 1.645 10 0 CDAEHM CC1(C)CC[C@@H](CNC(=O)c2cccc3n[n-]nc32)O1 ZINC000188878839 365453590 /nfs/dbraw/zinc/45/35/90/365453590.db2.gz DJGCQGZEVXIRRY-VIFPVBQESA-N -1 3 274.324 1.645 10 0 CDAEHM COC(=O)c1coc(C(=O)Nc2nc(C)ccc2[O-])c1 ZINC000354397215 365454943 /nfs/dbraw/zinc/45/49/43/365454943.db2.gz SEAYLJFOLQKCAQ-UHFFFAOYSA-N -1 3 276.248 1.728 10 0 CDAEHM COC(=O)c1coc(C(=O)[N-]c2nc(C)ccc2O)c1 ZINC000354397215 365454948 /nfs/dbraw/zinc/45/49/48/365454948.db2.gz SEAYLJFOLQKCAQ-UHFFFAOYSA-N -1 3 276.248 1.728 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](C)Cn1ccnc1 ZINC000414471032 241217645 /nfs/dbraw/zinc/21/76/45/241217645.db2.gz QBOOUFPRUZQGMT-SECBINFHSA-N -1 3 298.368 1.103 10 0 CDAEHM O=C(NCCCN1CCCCC1=O)c1cccc([O-])c1 ZINC000357419377 366984804 /nfs/dbraw/zinc/98/48/04/366984804.db2.gz BMJJJMVQXHIQQS-UHFFFAOYSA-N -1 3 276.336 1.525 10 0 CDAEHM CC[C@H](C[C@H](C)CO)NC(=O)c1cccc([O-])c1 ZINC000357425485 366988715 /nfs/dbraw/zinc/98/87/15/366988715.db2.gz RDSHZHWIUGYYRZ-CMPLNLGQSA-N -1 3 251.326 1.919 10 0 CDAEHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000357927668 367308417 /nfs/dbraw/zinc/30/84/17/367308417.db2.gz LTJOTOQWBNAHCV-HBYGRHMLSA-N -1 3 279.311 1.615 10 0 CDAEHM C[C@H]1CN(C(=O)c2cccc([O-])c2)C[C@@]2(CCOC2)O1 ZINC000280423598 367388358 /nfs/dbraw/zinc/38/83/58/367388358.db2.gz GIQMUGBAEXGARU-XHDPSFHLSA-N -1 3 277.320 1.412 10 0 CDAEHM Cc1cccc(F)c1S(=O)(=O)[N-]CCc1cn(C)cn1 ZINC000416526030 242036017 /nfs/dbraw/zinc/03/60/17/242036017.db2.gz AWUOJWQXCOPWRQ-UHFFFAOYSA-N -1 3 297.355 1.389 10 0 CDAEHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358604820 367810762 /nfs/dbraw/zinc/81/07/62/367810762.db2.gz SLNHIYALXXSRRB-LLVKDONJSA-N -1 3 275.370 1.665 10 0 CDAEHM CC(C)n1cnc(S(=O)(=O)NCc2ncccc2[O-])c1 ZINC000360029879 368082794 /nfs/dbraw/zinc/08/27/94/368082794.db2.gz SDKRMMGWLVNZSL-UHFFFAOYSA-N -1 3 296.352 1.043 10 0 CDAEHM COCCc1nsc([N-]c2cnn(CCN(C)C)c2)n1 ZINC000302838746 201573791 /nfs/dbraw/zinc/57/37/91/201573791.db2.gz YSASYMGGTBBYGK-UHFFFAOYSA-N -1 3 296.400 1.229 10 0 CDAEHM CN(C(=O)c1s[n-]c(=O)c1Cl)C1CCN(C)CC1 ZINC000283017029 368148573 /nfs/dbraw/zinc/14/85/73/368148573.db2.gz XBEXVDZOMUWNGW-UHFFFAOYSA-N -1 3 289.788 1.668 10 0 CDAEHM COc1nc(NC(=O)C[C@@H]2CCCC[C@H]2C)n[n-]1 ZINC000539815423 368482546 /nfs/dbraw/zinc/48/25/46/368482546.db2.gz OXMWZALZNYBPHF-BDAKNGLRSA-N -1 3 252.318 1.968 10 0 CDAEHM COc1nnc(NC(=O)C[C@@H]2CCCC[C@H]2C)[n-]1 ZINC000539815423 368482552 /nfs/dbraw/zinc/48/25/52/368482552.db2.gz OXMWZALZNYBPHF-BDAKNGLRSA-N -1 3 252.318 1.968 10 0 CDAEHM COc1n[n-]c(NC(=O)C[C@@H]2CCCC[C@H]2C)n1 ZINC000539815423 368482555 /nfs/dbraw/zinc/48/25/55/368482555.db2.gz OXMWZALZNYBPHF-BDAKNGLRSA-N -1 3 252.318 1.968 10 0 CDAEHM COc1nnc(NC(=O)c2nc(C(C)C)oc2C)[n-]1 ZINC000285791821 368659099 /nfs/dbraw/zinc/65/90/99/368659099.db2.gz KWVTYDWZLIFQKT-UHFFFAOYSA-N -1 3 265.273 1.485 10 0 CDAEHM COc1nc(NC(=O)c2nc(C(C)C)oc2C)n[n-]1 ZINC000285791821 368659101 /nfs/dbraw/zinc/65/91/01/368659101.db2.gz KWVTYDWZLIFQKT-UHFFFAOYSA-N -1 3 265.273 1.485 10 0 CDAEHM COc1n[n-]c(NC(=O)c2nc(C(C)C)oc2C)n1 ZINC000285791821 368659103 /nfs/dbraw/zinc/65/91/03/368659103.db2.gz KWVTYDWZLIFQKT-UHFFFAOYSA-N -1 3 265.273 1.485 10 0 CDAEHM O=C(c1c([O-])cc(F)cc1F)N1CC[C@H](N2CCCC2)C1 ZINC000170737040 368858706 /nfs/dbraw/zinc/85/87/06/368858706.db2.gz UXENFXUHPCLJAY-NSHDSACASA-N -1 3 296.317 1.981 10 0 CDAEHM Cc1ccc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)c([O-])c1 ZINC000115164563 369149510 /nfs/dbraw/zinc/14/95/10/369149510.db2.gz MNLSZYXHDGREFT-CYBMUJFWSA-N -1 3 290.363 1.294 10 0 CDAEHM CCCc1cc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)n[nH]1 ZINC000116976613 369554572 /nfs/dbraw/zinc/55/45/72/369554572.db2.gz QCYNAYYIFQPREF-UHFFFAOYSA-N -1 3 298.302 1.498 10 0 CDAEHM CC[C@H]1CCCC[C@@H]1NC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000547515118 369576614 /nfs/dbraw/zinc/57/66/14/369576614.db2.gz ILOHILVFRLFVTJ-QWRGUYRKSA-N -1 3 280.372 1.941 10 0 CDAEHM COc1cc(=NC(=O)CC2CCCCC2)[n-]n1C ZINC000548143147 369767451 /nfs/dbraw/zinc/76/74/51/369767451.db2.gz RISOQFQXFJJFDI-UHFFFAOYSA-N -1 3 251.330 1.760 10 0 CDAEHM COc1cc(=NC(=O)C2(c3ccc(F)cc3)CC2)[n-]n1C ZINC000548471580 369870520 /nfs/dbraw/zinc/87/05/20/369870520.db2.gz IDAZZAHIKSMIKO-UHFFFAOYSA-N -1 3 289.310 1.660 10 0 CDAEHM COc1cc(=NC(=O)N2C[C@H](C)CCC[C@@H]2C)[n-]n1C ZINC000548497805 369878053 /nfs/dbraw/zinc/87/80/53/369878053.db2.gz QKOBYXZXTHSGPI-MNOVXSKESA-N -1 3 280.372 1.893 10 0 CDAEHM C[C@@H]1CCN([C@H](C(N)=O)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000564962572 370311754 /nfs/dbraw/zinc/31/17/54/370311754.db2.gz DFXBNYWMIBYGTL-RTXFEEFZSA-N -1 3 276.336 1.256 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC23CC3)c1 ZINC000566127033 370618097 /nfs/dbraw/zinc/61/80/97/370618097.db2.gz ZDWWIVARFNRPQD-GFCCVEGCSA-N -1 3 260.293 1.633 10 0 CDAEHM O=C(N[C@H]1COc2ccccc21)c1ccc2n[n-]nc2c1 ZINC000195013450 284256085 /nfs/dbraw/zinc/25/60/85/284256085.db2.gz SMBMSTFKZONMQC-ZDUSSCGKSA-N -1 3 280.287 1.821 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1cc(C)oc1C)[C@H](O)C(F)F ZINC000295789694 371455673 /nfs/dbraw/zinc/45/56/73/371455673.db2.gz RMBHUSOAXKRXCO-WPRPVWTQSA-N -1 3 297.323 1.579 10 0 CDAEHM O=C(c1ncccc1[O-])N1CCCN(C2CC2)CC1 ZINC000171285863 372155387 /nfs/dbraw/zinc/15/53/87/372155387.db2.gz GSYTZCIZCSRTTL-UHFFFAOYSA-N -1 3 261.325 1.098 10 0 CDAEHM Cc1nnc([C@H]2CN(C(=O)c3ccccc3[O-])CCO2)[nH]1 ZINC000173755654 372497547 /nfs/dbraw/zinc/49/75/47/372497547.db2.gz WJDVZEDHURTUMF-GFCCVEGCSA-N -1 3 288.307 1.032 10 0 CDAEHM Cc1nc([C@H]2CN(C(=O)c3ccccc3[O-])CCO2)n[nH]1 ZINC000173755654 372497552 /nfs/dbraw/zinc/49/75/52/372497552.db2.gz WJDVZEDHURTUMF-GFCCVEGCSA-N -1 3 288.307 1.032 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000177412410 372854817 /nfs/dbraw/zinc/85/48/17/372854817.db2.gz OKNUZSPUCMFPOZ-NXEZZACHSA-N -1 3 292.335 1.175 10 0 CDAEHM C[C@H](NC1CC1)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000382950002 373080494 /nfs/dbraw/zinc/08/04/94/373080494.db2.gz LKIWSKFQKRKMAJ-LFSVMHDDSA-N -1 3 280.368 1.371 10 0 CDAEHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H]1[C@@H]2CCC[C@@H]21 ZINC000645687323 373254621 /nfs/dbraw/zinc/25/46/21/373254621.db2.gz DVMHOVOQZBZJFT-IWIIMEHWSA-N -1 3 285.340 1.911 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CCCN(C3CC3)CC2)n1 ZINC000192559370 373620166 /nfs/dbraw/zinc/62/01/66/373620166.db2.gz HWNJVLZKOKVLOB-GFCCVEGCSA-N -1 3 276.384 1.722 10 0 CDAEHM COC(=O)c1c([O-])ccc(I)c1F ZINC000575714717 374015744 /nfs/dbraw/zinc/01/57/44/374015744.db2.gz XUQRRQBYFVZXEO-UHFFFAOYSA-N -1 3 296.035 1.923 10 0 CDAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1C[C@H]1C ZINC000226473807 375347594 /nfs/dbraw/zinc/34/75/94/375347594.db2.gz WSEVGQWLCPESLG-SVRRBLITSA-N -1 3 289.378 1.530 10 0 CDAEHM O[C@H]1CCC[C@@H]1N=c1cc(-c2ccccc2)n2[n-]cnc2n1 ZINC000631522421 376335714 /nfs/dbraw/zinc/33/57/14/376335714.db2.gz KMOQHUSSTIPUCH-JSGCOSHPSA-N -1 3 295.346 1.539 10 0 CDAEHM CC(C)(C)C[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631790719 376599943 /nfs/dbraw/zinc/59/99/43/376599943.db2.gz ZLQXZMNYSPOCBQ-UHFFFAOYSA-N -1 3 250.345 1.173 10 0 CDAEHM Cc1nc(NC(=O)c2ccc3n[n-]nc3c2)cs1 ZINC000344709004 376794636 /nfs/dbraw/zinc/79/46/36/376794636.db2.gz BUVUCDCYLDOVLU-UHFFFAOYSA-N -1 3 259.294 1.975 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CCSC(C)C)c1 ZINC000344809156 376935391 /nfs/dbraw/zinc/93/53/91/376935391.db2.gz BOEQHTMDJLBXSJ-UHFFFAOYSA-N -1 3 277.415 1.323 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H](c3cnn(C)c3)C2)n1 ZINC000248751106 377323583 /nfs/dbraw/zinc/32/35/83/377323583.db2.gz OMMMCSJRNIIOFY-NWDGAFQWSA-N -1 3 287.367 1.775 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)c1cscn1)c1ccccn1 ZINC000632473229 377509411 /nfs/dbraw/zinc/50/94/11/377509411.db2.gz XZFLKTJYCPBTMI-SECBINFHSA-N -1 3 283.378 1.968 10 0 CDAEHM CC1(C)CC([N-]S(=O)(=O)c2c[nH]c(=O)s2)C1 ZINC000632574100 377623444 /nfs/dbraw/zinc/62/34/44/377623444.db2.gz ZJWHCSCOEIMPEP-UHFFFAOYSA-N -1 3 262.356 1.316 10 0 CDAEHM CCC(F)(F)C[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632595450 377651811 /nfs/dbraw/zinc/65/18/11/377651811.db2.gz IKOPARZTUUVNTE-UHFFFAOYSA-N -1 3 272.298 1.172 10 0 CDAEHM Cc1nocc1S(=O)(=O)[N-]C[C@@H]1CCN1C1CCCC1 ZINC000632597782 377654164 /nfs/dbraw/zinc/65/41/64/377654164.db2.gz CROUSVKAWYWUQB-LBPRGKRZSA-N -1 3 299.396 1.278 10 0 CDAEHM CCc1ncc(S(=O)(=O)[N-][C@@H]2C[C@H](C)O[C@H]2C)s1 ZINC000632647731 377704099 /nfs/dbraw/zinc/70/40/99/377704099.db2.gz GXGYXGUQZNMEAZ-XHNCKOQMSA-N -1 3 290.410 1.550 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(=O)[nH]1)c1ccc2c(c1)CCCC2 ZINC000633521340 378512175 /nfs/dbraw/zinc/51/21/75/378512175.db2.gz JEPRYVLKWYZQMU-UHFFFAOYSA-N -1 3 299.330 1.697 10 0 CDAEHM COc1nnc([N-]C(=O)c2oc(C3CC3)nc2C)s1 ZINC000633909824 378862449 /nfs/dbraw/zinc/86/24/49/378862449.db2.gz RYOCINZCQQDSHI-UHFFFAOYSA-N -1 3 280.309 1.973 10 0 CDAEHM COc1cc(C(=O)N[C@@H]2C[C@@H](C)O[C@H]2C)cc(OC)c1[O-] ZINC000634023514 378959100 /nfs/dbraw/zinc/95/91/00/378959100.db2.gz GHOPQDHAGAXKMJ-WCABBAIRSA-N -1 3 295.335 1.705 10 0 CDAEHM Cc1ccc(-c2noc(=NC[C@@H](C)N(C)C)[n-]2)cc1 ZINC000443429424 250029190 /nfs/dbraw/zinc/02/91/90/250029190.db2.gz QTAXQTYYRZUTJS-LLVKDONJSA-N -1 3 260.341 1.829 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCO[C@H](C(F)F)CC1 ZINC000634155166 379100041 /nfs/dbraw/zinc/10/00/41/379100041.db2.gz VHDVFDMTEXHLNG-NSHDSACASA-N -1 3 271.263 1.888 10 0 CDAEHM O=C(c1ccc2n[n-]nc2c1)N1CCO[C@@H](C(F)F)CC1 ZINC000634157976 379101485 /nfs/dbraw/zinc/10/14/85/379101485.db2.gz WYHSSURSGHPACE-LLVKDONJSA-N -1 3 296.277 1.454 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C[C@H]2CCCCS2)c1 ZINC000344129181 379185758 /nfs/dbraw/zinc/18/57/58/379185758.db2.gz XEYKOQZTEDINII-SNVBAGLBSA-N -1 3 289.426 1.467 10 0 CDAEHM Cc1ccc(NC(=O)[C@@H](N)COC(C)C)c([O-])c1 ZINC000662355951 412918449 /nfs/dbraw/zinc/91/84/49/412918449.db2.gz IOWDYUJLPMMSOE-JTQLQIEISA-N -1 3 252.314 1.391 10 0 CDAEHM O=C(C=C1CCCCC1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279425899 194428182 /nfs/dbraw/zinc/42/81/82/194428182.db2.gz IRHXFDLTDIBOJM-OAHLLOKOSA-N -1 3 291.351 1.078 10 0 CDAEHM COC[C@@](C)(O)CCN=c1[n-]c(C(F)(F)F)cs1 ZINC000450597597 251358570 /nfs/dbraw/zinc/35/85/70/251358570.db2.gz VTKWPTBFOOFAOX-VIFPVBQESA-N -1 3 284.303 1.783 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CC[C@](O)(C(F)F)C2)c1 ZINC000452667290 252132133 /nfs/dbraw/zinc/13/21/33/252132133.db2.gz FIPNFXADFQWMGK-CYBMUJFWSA-N -1 3 287.262 1.243 10 0 CDAEHM COc1ccc([O-])c(C(=O)NCC2(CF)CCOCC2)c1 ZINC000452792022 252173293 /nfs/dbraw/zinc/17/32/93/252173293.db2.gz JTPWVADKKICVSX-UHFFFAOYSA-N -1 3 297.326 1.897 10 0 CDAEHM CC(F)(F)C(=O)[N-]Cc1ccnc(OC(F)F)c1 ZINC000289178828 197255257 /nfs/dbraw/zinc/25/52/57/197255257.db2.gz JPPHVPBMMIRBCC-UHFFFAOYSA-N -1 3 266.194 1.954 10 0 CDAEHM C[C@H]([N-]S(C)(=O)=O)c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000656047814 413008523 /nfs/dbraw/zinc/00/85/23/413008523.db2.gz RODWKPIMUPQSPZ-JLIMGVALSA-N -1 3 285.369 1.583 10 0 CDAEHM CC(C)([N-]S(C)(=O)=O)c1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 ZINC000656048510 413008252 /nfs/dbraw/zinc/00/82/52/413008252.db2.gz ZIFKBDNJHZSWGW-IVZWLZJFSA-N -1 3 299.396 1.758 10 0 CDAEHM COc1nnc(NC(=O)Cc2c[nH]c3ccccc23)[n-]1 ZINC000158203642 533185658 /nfs/dbraw/zinc/18/56/58/533185658.db2.gz FWNGCLPRTXOLEB-UHFFFAOYSA-N -1 3 271.280 1.476 10 0 CDAEHM COc1nc(NC(=O)Cc2c[nH]c3ccccc23)n[n-]1 ZINC000158203642 533185659 /nfs/dbraw/zinc/18/56/59/533185659.db2.gz FWNGCLPRTXOLEB-UHFFFAOYSA-N -1 3 271.280 1.476 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2c[nH]c3ccccc23)n1 ZINC000158203642 533185665 /nfs/dbraw/zinc/18/56/65/533185665.db2.gz FWNGCLPRTXOLEB-UHFFFAOYSA-N -1 3 271.280 1.476 10 0 CDAEHM O=C(NCc1ncccc1[O-])NCc1ncccc1F ZINC000525986105 390911612 /nfs/dbraw/zinc/91/16/12/390911612.db2.gz MILDKEHCNDXYOF-UHFFFAOYSA-N -1 3 276.271 1.321 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2CCN(CCCF)CC2)c1 ZINC000402872134 390930316 /nfs/dbraw/zinc/93/03/16/390930316.db2.gz ZNBYJXALWCEOPT-UHFFFAOYSA-N -1 3 280.343 1.818 10 0 CDAEHM CC(C)(C)c1ccc(NC(=O)Cn2cnnn2)c([O-])c1 ZINC000337397483 391139294 /nfs/dbraw/zinc/13/92/94/391139294.db2.gz GFMXLFIEUPWNCL-UHFFFAOYSA-N -1 3 275.312 1.315 10 0 CDAEHM CC(C)Oc1ccc(=NC(=O)NC2(CN)CCCC2)[n-]n1 ZINC000415544508 391162830 /nfs/dbraw/zinc/16/28/30/391162830.db2.gz GPZIBEDYJZPBRF-UHFFFAOYSA-N -1 3 293.371 1.079 10 0 CDAEHM O=C(NCc1ncccc1[O-])[C@H]1CCCOCC1 ZINC000526941374 391229979 /nfs/dbraw/zinc/22/99/79/391229979.db2.gz BQXNCTNLVARERF-JTQLQIEISA-N -1 3 250.298 1.220 10 0 CDAEHM CCc1nn(C)cc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000526959066 391235237 /nfs/dbraw/zinc/23/52/37/391235237.db2.gz FYWBPDTWDOIMOC-LBPRGKRZSA-N -1 3 289.339 1.231 10 0 CDAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@H]1C[C@H]1C1CC1 ZINC000526959648 391236757 /nfs/dbraw/zinc/23/67/57/391236757.db2.gz QLNXQGWRLAUYDZ-NHCYSSNCSA-N -1 3 261.325 1.668 10 0 CDAEHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)N2CCC[C@@H](C)C2)o1 ZINC000532350272 391192083 /nfs/dbraw/zinc/19/20/83/391192083.db2.gz XIGQPEUEYPQNCB-RKDXNWHRSA-N -1 3 288.373 1.005 10 0 CDAEHM C[C@H]1CCNC(=O)[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000282045797 391456550 /nfs/dbraw/zinc/45/65/50/391456550.db2.gz BWKFSEPADRQRFY-XPTSAGLGSA-N -1 3 299.330 1.195 10 0 CDAEHM CCC(CC)(CNC(=O)NCc1ncccc1[O-])OC ZINC000425993259 391544079 /nfs/dbraw/zinc/54/40/79/391544079.db2.gz BBICDRPGCIHVHP-UHFFFAOYSA-N -1 3 281.356 1.792 10 0 CDAEHM C[C@@H]1CN(c2nc3nncc-3c(O)[n-]2)[C@@H](C)[C@H](C)O1 ZINC000526084066 391594233 /nfs/dbraw/zinc/59/42/33/391594233.db2.gz XJYMFKPLCSCWRF-CSMHCCOUSA-N -1 3 263.301 1.061 10 0 CDAEHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@H]2O)c1 ZINC000425208008 391646145 /nfs/dbraw/zinc/64/61/45/391646145.db2.gz OBNCNTFMEZKOMJ-NXEZZACHSA-N -1 3 291.756 1.150 10 0 CDAEHM O=C(NCc1cn2cc(Cl)ccc2n1)c1c[n-]nn1 ZINC000341908763 130121665 /nfs/dbraw/zinc/12/16/65/130121665.db2.gz KMOJCLPEWIJTDC-UHFFFAOYSA-N -1 3 276.687 1.036 10 0 CDAEHM O=C(NCc1cn2cc(Cl)ccc2n1)c1cn[n-]n1 ZINC000341908763 130121666 /nfs/dbraw/zinc/12/16/66/130121666.db2.gz KMOJCLPEWIJTDC-UHFFFAOYSA-N -1 3 276.687 1.036 10 0 CDAEHM O=C(NCc1cn2cc(Cl)ccc2n1)c1cnn[n-]1 ZINC000341908763 130121668 /nfs/dbraw/zinc/12/16/68/130121668.db2.gz KMOJCLPEWIJTDC-UHFFFAOYSA-N -1 3 276.687 1.036 10 0 CDAEHM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000407986123 391797775 /nfs/dbraw/zinc/79/77/75/391797775.db2.gz KQKANVMELVFOGY-JQWIXIFHSA-N -1 3 292.383 1.899 10 0 CDAEHM CC(=O)c1ccc(C(=O)N[C@H](C)Cn2cncn2)cc1[O-] ZINC000439061144 392004404 /nfs/dbraw/zinc/00/44/04/392004404.db2.gz RBDGUJKJMGIKHP-SECBINFHSA-N -1 3 288.307 1.005 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C)cs1 ZINC000438781742 391962398 /nfs/dbraw/zinc/96/23/98/391962398.db2.gz BBFHTZBVRDEYBD-AEJSXWLSSA-N -1 3 283.397 1.635 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2C[C@H](C)O[C@H](C)[C@H]2C)cs1 ZINC000438781747 391963043 /nfs/dbraw/zinc/96/30/43/391963043.db2.gz BBFHTZBVRDEYBD-IVZWLZJFSA-N -1 3 283.397 1.635 10 0 CDAEHM COC1(C(=O)[N-]c2nncn2-c2ccccc2)CC1 ZINC000648847922 392077948 /nfs/dbraw/zinc/07/79/48/392077948.db2.gz GIFISKAJFUANML-UHFFFAOYSA-N -1 3 258.281 1.385 10 0 CDAEHM COC(=O)c1cc(-c2nc(-c3cnccn3)no2)c[n-]1 ZINC000430889691 392085869 /nfs/dbraw/zinc/08/58/69/392085869.db2.gz OSPOXWRRKUGZJS-UHFFFAOYSA-N -1 3 271.236 1.308 10 0 CDAEHM CCn1ccnc1CS(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195171233 392052090 /nfs/dbraw/zinc/05/20/90/392052090.db2.gz UNZMZMWCMXWAGY-UHFFFAOYSA-N -1 3 297.384 1.293 10 0 CDAEHM CCn1ccnc1CS(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195171233 392052094 /nfs/dbraw/zinc/05/20/94/392052094.db2.gz UNZMZMWCMXWAGY-UHFFFAOYSA-N -1 3 297.384 1.293 10 0 CDAEHM Cc1cn2c(n1)CN(C(=O)Cc1ccc([O-])c(F)c1)CC2 ZINC000649367552 392119901 /nfs/dbraw/zinc/11/99/01/392119901.db2.gz XWMWJFMFJWZAHJ-UHFFFAOYSA-N -1 3 289.310 1.621 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2nnc3ccccn32)c[n-]1 ZINC000431340655 392185873 /nfs/dbraw/zinc/18/58/73/392185873.db2.gz CGDBWIBAPKBFGW-UHFFFAOYSA-N -1 3 285.263 1.096 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](C)Oc2ccccc2F)[n-]1 ZINC000158861307 392456806 /nfs/dbraw/zinc/45/68/06/392456806.db2.gz URPJLRYMBLNHGR-SSDOTTSWSA-N -1 3 280.259 1.358 10 0 CDAEHM COc1nc(NC(=O)[C@@H](C)Oc2ccccc2F)n[n-]1 ZINC000158861307 392456817 /nfs/dbraw/zinc/45/68/17/392456817.db2.gz URPJLRYMBLNHGR-SSDOTTSWSA-N -1 3 280.259 1.358 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](C)Oc2ccccc2F)n1 ZINC000158861307 392456823 /nfs/dbraw/zinc/45/68/23/392456823.db2.gz URPJLRYMBLNHGR-SSDOTTSWSA-N -1 3 280.259 1.358 10 0 CDAEHM Cc1ccc(C(=O)N[C@@H](CO)c2ccnn2C)c([O-])c1C ZINC000458175699 392404240 /nfs/dbraw/zinc/40/42/40/392404240.db2.gz XGCKOZNXEJPJPB-LBPRGKRZSA-N -1 3 289.335 1.206 10 0 CDAEHM C[C@H]1C[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)CO1 ZINC000573969099 392479845 /nfs/dbraw/zinc/47/98/45/392479845.db2.gz LHEWFAHECNMWHG-VHSXEESVSA-N -1 3 272.304 1.435 10 0 CDAEHM Cn1cnc(CCNC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000458406638 392511820 /nfs/dbraw/zinc/51/18/20/392511820.db2.gz FPVYGNAQDGNBBB-UHFFFAOYSA-N -1 3 292.314 1.307 10 0 CDAEHM CCC[C@H](C)[C@H](CO)NC(=O)c1cc(OC)ccc1[O-] ZINC000517577828 392902234 /nfs/dbraw/zinc/90/22/34/392902234.db2.gz ANDBVHVUJMXWMV-GWCFXTLKSA-N -1 3 281.352 1.928 10 0 CDAEHM C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459321935 393086380 /nfs/dbraw/zinc/08/63/80/393086380.db2.gz BNBZLOKCZYAMRL-MWLCHTKSSA-N -1 3 290.367 1.145 10 0 CDAEHM COc1ccccc1-c1cc(=NC(=O)C2(OC)CC2)[nH][n-]1 ZINC000649211044 393039421 /nfs/dbraw/zinc/03/94/21/393039421.db2.gz ZSHLQYUQBPMTAU-UHFFFAOYSA-N -1 3 287.319 1.625 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1coc(C(N)=O)c1 ZINC000649230381 393124802 /nfs/dbraw/zinc/12/48/02/393124802.db2.gz HNEJXUBYWZQRLY-UHFFFAOYSA-N -1 3 276.296 1.208 10 0 CDAEHM C[C@]1(C(N)=O)CCCCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459399773 393139291 /nfs/dbraw/zinc/13/92/91/393139291.db2.gz KFOCWMCSWRMTNS-OAHLLOKOSA-N -1 3 290.367 1.290 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2C[C@@H]3C[C@H]2CS3)n1 ZINC000459797699 393365570 /nfs/dbraw/zinc/36/55/70/393365570.db2.gz SQFLXOWYRHBUEG-UWVGGRQHSA-N -1 3 251.355 1.434 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)C[C@@H](C)OC)c1nccs1 ZINC000195276810 140152145 /nfs/dbraw/zinc/15/21/45/140152145.db2.gz IBQSXVLIVHMOTN-RKDXNWHRSA-N -1 3 278.399 1.549 10 0 CDAEHM C[C@@H](O)CCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000228651783 140195324 /nfs/dbraw/zinc/19/53/24/140195324.db2.gz WECNQQMARINSES-SNVBAGLBSA-N -1 3 274.320 1.419 10 0 CDAEHM COc1cncc(S(=O)(=O)[N-]C(C)(C)C(C)(F)F)c1 ZINC000656186195 413082220 /nfs/dbraw/zinc/08/22/20/413082220.db2.gz JMYNKUNKLVFWBZ-UHFFFAOYSA-N -1 3 294.323 1.802 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2Cc2cc(C3CC3)no2)nc1=N ZINC000660467906 413149823 /nfs/dbraw/zinc/14/98/23/413149823.db2.gz BAKRZODHHHZMCG-GFCCVEGCSA-N -1 3 288.355 1.430 10 0 CDAEHM O[C@@]1(CCN=c2[n-]cc(C(F)(F)F)s2)CCOC1 ZINC000651414550 397996339 /nfs/dbraw/zinc/99/63/39/397996339.db2.gz KJKBDNRPCGBPJE-VIFPVBQESA-N -1 3 282.287 1.537 10 0 CDAEHM O=C(NC[C@H]1CCCCN1CCO)c1ccc([O-])c(F)c1 ZINC000650594797 398081753 /nfs/dbraw/zinc/08/17/53/398081753.db2.gz JECLBEGQYMNCIH-GFCCVEGCSA-N -1 3 296.342 1.108 10 0 CDAEHM Cc1nn(C)cc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119369601 147314961 /nfs/dbraw/zinc/31/49/61/147314961.db2.gz DFWVGEBZMKYDNG-UHFFFAOYSA-N -1 3 285.311 1.104 10 0 CDAEHM Cc1nn(C)cc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119369601 147314962 /nfs/dbraw/zinc/31/49/62/147314962.db2.gz DFWVGEBZMKYDNG-UHFFFAOYSA-N -1 3 285.311 1.104 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)[n-]1 ZINC000183011099 148282100 /nfs/dbraw/zinc/28/21/00/148282100.db2.gz NJOBSDVGWKKRMA-NXEZZACHSA-N -1 3 264.329 1.968 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)n[n-]1 ZINC000183011099 148282103 /nfs/dbraw/zinc/28/21/03/148282103.db2.gz NJOBSDVGWKKRMA-NXEZZACHSA-N -1 3 264.329 1.968 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)n1 ZINC000183011099 148282107 /nfs/dbraw/zinc/28/21/07/148282107.db2.gz NJOBSDVGWKKRMA-NXEZZACHSA-N -1 3 264.329 1.968 10 0 CDAEHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)[C@@H](C)CO ZINC000184896589 148376311 /nfs/dbraw/zinc/37/63/11/148376311.db2.gz DFWJQKXVDSUPCR-VHSXEESVSA-N -1 3 275.345 1.429 10 0 CDAEHM CC(C)[C@H](C)C[N-]S(=O)(=O)c1cncc(F)c1 ZINC000352486487 155220147 /nfs/dbraw/zinc/22/01/47/155220147.db2.gz RIVDMEBPSHBTHN-SECBINFHSA-N -1 3 260.334 1.791 10 0 CDAEHM CCc1ccnc(C(=O)NCc2ncccc2[O-])c1 ZINC000352508497 155237829 /nfs/dbraw/zinc/23/78/29/155237829.db2.gz NAMYSVWDPPVJIQ-UHFFFAOYSA-N -1 3 257.293 1.675 10 0 CDAEHM COc1ccc(OCC(=O)NCc2ncccc2[O-])cc1 ZINC000352515359 155241035 /nfs/dbraw/zinc/24/10/35/155241035.db2.gz GJWSFAADEQBFRS-UHFFFAOYSA-N -1 3 288.303 1.491 10 0 CDAEHM C[C@]1(c2ccc(NC(=O)[C@@H]3CC34CC4)cc2)NC(=O)[N-]C1=O ZINC000335073244 150261875 /nfs/dbraw/zinc/26/18/75/150261875.db2.gz LCFYXUDMPHYVQV-XHDPSFHLSA-N -1 3 299.330 1.480 10 0 CDAEHM CN(C(=O)c1c([O-])cccc1F)[C@H]1CCN(C2CC2)C1 ZINC000336156943 151320281 /nfs/dbraw/zinc/32/02/81/151320281.db2.gz BXLASWFBMMDGAX-NSHDSACASA-N -1 3 278.327 1.840 10 0 CDAEHM CCc1cccc(C(=O)NCC[C@@H](C)[S@](C)=O)c1[O-] ZINC000158182315 289303030 /nfs/dbraw/zinc/30/30/30/289303030.db2.gz WSFNDWBPFJJXJP-GIGQVBGESA-N -1 3 283.393 1.842 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C[C@]2(C)CCCS2)c1 ZINC000343843835 152323381 /nfs/dbraw/zinc/32/33/81/152323381.db2.gz RKWSBNMKDZTYQK-NSHDSACASA-N -1 3 289.426 1.467 10 0 CDAEHM C[C@@H]([N-]S(C)(=O)=O)c1nc(CCC(C)(C)C)no1 ZINC000349776195 154213464 /nfs/dbraw/zinc/21/34/64/154213464.db2.gz DZZRNACHQSJEKM-MRVPVSSYSA-N -1 3 275.374 1.659 10 0 CDAEHM CC(C)OC(=O)CCCNC(=O)NCc1ncccc1[O-] ZINC000349923322 154273736 /nfs/dbraw/zinc/27/37/36/154273736.db2.gz WLTZAQIXZZORPI-UHFFFAOYSA-N -1 3 295.339 1.318 10 0 CDAEHM CCOC[C@@H](NC(=O)NCc1ncccc1[O-])C(C)C ZINC000349954127 154284968 /nfs/dbraw/zinc/28/49/68/154284968.db2.gz HUGZZQKCIQBHDV-GFCCVEGCSA-N -1 3 281.356 1.648 10 0 CDAEHM CCNC(=O)[C@H](NC(=O)c1cccc([O-])c1)C(C)C ZINC000354316488 156383225 /nfs/dbraw/zinc/38/32/25/156383225.db2.gz NPKLLODXQGMEPF-GFCCVEGCSA-N -1 3 264.325 1.283 10 0 CDAEHM CC(C)(C)N1CC[C@@H]1CNC(=O)CC(C)(C)C(=O)[O-] ZINC000656484525 413337098 /nfs/dbraw/zinc/33/70/98/413337098.db2.gz UGEIZJWDOFHEGX-SNVBAGLBSA-N -1 3 270.373 1.476 10 0 CDAEHM COCc1ncc(C(=O)NCc2ncccc2[O-])s1 ZINC000355438971 157052821 /nfs/dbraw/zinc/05/28/21/157052821.db2.gz YBQZFSMFXSSMJE-UHFFFAOYSA-N -1 3 279.321 1.320 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1c[nH]nc1-c1ccccn1 ZINC000356103177 157356520 /nfs/dbraw/zinc/35/65/20/157356520.db2.gz DWHWLUBCQXLYGD-UHFFFAOYSA-N -1 3 295.302 1.502 10 0 CDAEHM Cn1ccc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)c1 ZINC000358932570 158076081 /nfs/dbraw/zinc/07/60/81/158076081.db2.gz JKXISSOZRZLXFP-UHFFFAOYSA-N -1 3 267.292 1.484 10 0 CDAEHM O=C([N-]OCC(F)(F)F)[C@@H]1C[C@H]1c1cccnc1 ZINC000368397303 159641304 /nfs/dbraw/zinc/64/13/04/159641304.db2.gz LJRDQDRGIUIKIC-DTWKUNHWSA-N -1 3 260.215 1.795 10 0 CDAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC(C2CCCC2)CC1 ZINC000372340015 160108526 /nfs/dbraw/zinc/10/85/26/160108526.db2.gz QDSSKRKCVFCDAO-LBPRGKRZSA-N -1 3 293.367 1.013 10 0 CDAEHM Cc1ccc([O-])c(CN2CCO[C@@H](COC(C)C)C2)n1 ZINC000373488045 160204894 /nfs/dbraw/zinc/20/48/94/160204894.db2.gz BHNLTJFATHGWJJ-CYBMUJFWSA-N -1 3 280.368 1.721 10 0 CDAEHM CCc1nc([C@H](C)S(=O)(=O)c2ccc([O-])cc2)n[nH]1 ZINC000656556331 413433353 /nfs/dbraw/zinc/43/33/53/413433353.db2.gz SLEVATXEBFBNGA-QMMMGPOBSA-N -1 3 281.337 1.608 10 0 CDAEHM CCN(CC)CC[N-]S(=O)(=O)c1cnc(Cl)s1 ZINC000035356374 172147046 /nfs/dbraw/zinc/14/70/46/172147046.db2.gz WIIMEWVHPCMITJ-UHFFFAOYSA-N -1 3 297.833 1.417 10 0 CDAEHM O=C([O-])CCNCC(=O)N1CCC[C@H]1c1cccs1 ZINC000035386295 172168247 /nfs/dbraw/zinc/16/82/47/172168247.db2.gz HOJQRIUNYSRKRQ-JTQLQIEISA-N -1 3 282.365 1.476 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCO[C@@]3(CCCOC3)C2)n1 ZINC000285251956 196232934 /nfs/dbraw/zinc/23/29/34/196232934.db2.gz HGNNJAAQTGIACI-HNNXBMFYSA-N -1 3 293.367 1.126 10 0 CDAEHM COC[C@@H](CN1CCc2cccc(C(=O)[O-])c2C1)OC ZINC000656756782 413635374 /nfs/dbraw/zinc/63/53/74/413635374.db2.gz OTUVAANZAHWBBG-GFCCVEGCSA-N -1 3 279.336 1.404 10 0 CDAEHM CCN1CCCC[C@@H]1CNC(=O)[C@H](C(=O)[O-])C1CC1 ZINC000663112914 413947598 /nfs/dbraw/zinc/94/75/98/413947598.db2.gz CZHHEMKBTVMQAN-VXGBXAGGSA-N -1 3 268.357 1.088 10 0 CDAEHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cncc(F)c2)O1 ZINC000657154319 413987897 /nfs/dbraw/zinc/98/78/97/413987897.db2.gz KDIFOXVOOSMHFU-KOLCDFICSA-N -1 3 288.344 1.457 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](O)C23CCC3)c(F)c1 ZINC000657185946 414020793 /nfs/dbraw/zinc/02/07/93/414020793.db2.gz 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CC(C)NCC(=O)N(CCC(=O)[O-])c1ccccc1 ZINC000040483903 174287619 /nfs/dbraw/zinc/28/76/19/174287619.db2.gz VHSGNCMFSALQIA-UHFFFAOYSA-N -1 3 264.325 1.492 10 0 CDAEHM O=C([O-])CC[C@@H](NC(=O)[C@@H]1CCCCN1)c1ccccc1 ZINC000040484830 174287905 /nfs/dbraw/zinc/28/79/05/174287905.db2.gz IZJFHFOAASEALA-KGLIPLIRSA-N -1 3 290.363 1.851 10 0 CDAEHM CC[C@H](C)[C@@H](N)C(=O)N(CCCC(=O)[O-])C(C)C ZINC000040485414 174288704 /nfs/dbraw/zinc/28/87/04/174288704.db2.gz LVKVSQKWKROSEU-CMPLNLGQSA-N -1 3 258.362 1.462 10 0 CDAEHM CCN1CCC[C@H]1CNC(=O)N(CC(=O)[O-])C1CCCC1 ZINC000040552880 174329491 /nfs/dbraw/zinc/32/94/91/174329491.db2.gz WSHQJQIABWFWDI-ZDUSSCGKSA-N -1 3 297.399 1.510 10 0 CDAEHM CCN1CCC[C@@H]1CNC(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000040552843 174329815 /nfs/dbraw/zinc/32/98/15/174329815.db2.gz BYGDCJQCLFFQFA-MNOVXSKESA-N -1 3 285.388 1.269 10 0 CDAEHM CN1CCC(NC(=O)Nc2ccc(F)cc2C(=O)[O-])CC1 ZINC000040573706 174339830 /nfs/dbraw/zinc/33/98/30/174339830.db2.gz IXAKBGGLLJPJPO-UHFFFAOYSA-N -1 3 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176145243 /nfs/dbraw/zinc/14/52/43/176145243.db2.gz LAZVNLKVLGQSRQ-UHFFFAOYSA-N -1 3 286.291 1.353 10 0 CDAEHM COC(=O)C(=C(C)[O-])c1ccc(OC)c(OC)c1 ZINC000071573962 176200776 /nfs/dbraw/zinc/20/07/76/176200776.db2.gz CCKSRRZKLJXXGE-LBPRGKRZSA-N -1 3 252.266 1.549 10 0 CDAEHM COC(=O)Cc1c(C)nc(-c2ccc(F)cc2)[n-]c1=O ZINC000073695971 176486575 /nfs/dbraw/zinc/48/65/75/176486575.db2.gz BOYIHZLRMVLTGY-UHFFFAOYSA-N -1 3 276.267 1.600 10 0 CDAEHM CC(C)(C(=O)[O-])C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000215201489 424449395 /nfs/dbraw/zinc/44/93/95/424449395.db2.gz OORVDZKQBOQWGN-LLVKDONJSA-N -1 3 268.357 1.184 10 0 CDAEHM C[C@@H]1CN(C[C@H](O)C2CCCCC2)C[C@H](C(=O)[O-])O1 ZINC000652509622 424498097 /nfs/dbraw/zinc/49/80/97/424498097.db2.gz GNGVGCDYTRGIPR-KGYLQXTDSA-N -1 3 271.357 1.102 10 0 CDAEHM CC[C@H](O)CCCNC(=O)c1cccc(OC)c1[O-] ZINC000398625445 270357293 /nfs/dbraw/zinc/35/72/93/270357293.db2.gz YSMJSYZMGIQZEU-JTQLQIEISA-N -1 3 267.325 1.682 10 0 CDAEHM CCc1nn(C)cc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 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Cn1ccnc1-c1cc(NC(=O)[C@H]2C[C@H]2C2CC2)[n-]n1 ZINC000119784739 279371117 /nfs/dbraw/zinc/37/11/17/279371117.db2.gz XSSKPEIVUCBPIB-UWVGGRQHSA-N -1 3 271.324 1.795 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2C(=O)OC(C)C)n1 ZINC000121263750 279399521 /nfs/dbraw/zinc/39/95/21/279399521.db2.gz WZOIHDLYXQHTAE-LBPRGKRZSA-N -1 3 293.367 1.661 10 0 CDAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCCF ZINC000121820465 279409772 /nfs/dbraw/zinc/40/97/72/279409772.db2.gz SVGTWABHBJKGHB-UHFFFAOYSA-N -1 3 292.314 1.228 10 0 CDAEHM COc1ccc([O-])c(-c2nc([C@H](C)S(C)(=O)=O)no2)c1 ZINC000132972589 279726127 /nfs/dbraw/zinc/72/61/27/279726127.db2.gz RFNHOQDRMYCSCM-ZETCQYMHSA-N -1 3 298.320 1.556 10 0 CDAEHM COc1ccc([O-])c(C(=O)NCc2cc(C(N)=O)co2)c1 ZINC000187860848 279937522 /nfs/dbraw/zinc/93/75/22/279937522.db2.gz YHQZYXIJQORCHY-UHFFFAOYSA-N -1 3 290.275 1.023 10 0 CDAEHM COc1cccc(C(=O)NCCC[C@@H](C)CO)c1[O-] ZINC000230318974 280115986 /nfs/dbraw/zinc/11/59/86/280115986.db2.gz VNUBGUDJQBWMJN-SNVBAGLBSA-N -1 3 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O=C([N-]OCCO)c1c(Cl)cc(F)cc1Cl ZINC000762278472 576636948 /nfs/dbraw/zinc/63/69/48/576636948.db2.gz WSEIUEXZXRPOKX-UHFFFAOYSA-N -1 3 268.071 1.786 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)/C=C\c1ccc(C)cc1)C(=O)OC ZINC000754238328 576887059 /nfs/dbraw/zinc/88/70/59/576887059.db2.gz JWYMCMUATOEGGJ-ASCRHOAZSA-N -1 3 297.376 1.837 10 0 CDAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CCCC(C)(C)C ZINC000866854763 617406189 /nfs/dbraw/zinc/40/61/89/617406189.db2.gz RVBSJLKXJYQYFC-MRXNPFEDSA-N -1 3 284.447 1.765 10 0 CDAEHM C[C@](CCF)(NCc1cc2c(cn1)OCCO2)C(=O)[O-] ZINC000901915188 618334884 /nfs/dbraw/zinc/33/48/84/618334884.db2.gz IQCAPXFGAOKVSK-CYBMUJFWSA-N -1 3 284.287 1.145 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@]2(C)CCCC[C@@H]2O)nn1 ZINC000866916419 620456641 /nfs/dbraw/zinc/45/66/41/620456641.db2.gz UCCHYUNYPQWVMF-AAEUAGOBSA-N -1 3 299.396 1.005 10 0 CDAEHM Cc1c(CC(=O)[N-]OCCCC(F)(F)F)cnn1C ZINC000871215697 620578803 /nfs/dbraw/zinc/57/88/03/620578803.db2.gz FILSFLWGBUQCLB-UHFFFAOYSA-N -1 3 279.262 1.661 10 0 CDAEHM CC(C)(O)CO[N-]C(=O)C[C@H]1CCC2(CCC2)O1 ZINC000897588030 621010983 /nfs/dbraw/zinc/01/09/83/621010983.db2.gz OHMXJRVWIRWAHL-SNVBAGLBSA-N -1 3 257.330 1.297 10 0 CDAEHM CC(C)O[N-]C(=O)CC[C@H]1CC[C@H](C2OCCO2)O1 ZINC000897889720 621194968 /nfs/dbraw/zinc/19/49/68/621194968.db2.gz VOSKJLILOFLXNQ-GHMZBOCLSA-N -1 3 273.329 1.143 10 0 CDAEHM C[C@@H]1CO[C@@H](C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)C1 ZINC000898094052 621314863 /nfs/dbraw/zinc/31/48/63/621314863.db2.gz BAIRXYOVDGEKKT-WCBMZHEXSA-N -1 3 295.339 1.729 10 0 CDAEHM C[C@@H]1CO[C@@H](C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)C1 ZINC000898094052 621314870 /nfs/dbraw/zinc/31/48/70/621314870.db2.gz BAIRXYOVDGEKKT-WCBMZHEXSA-N -1 3 295.339 1.729 10 0 CDAEHM O=C(c1cc(Cl)ccn1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898204911 621361818 /nfs/dbraw/zinc/36/18/18/621361818.db2.gz DZQUDHUEYHHPRI-MRVPVSSYSA-N -1 3 292.726 1.793 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1CCCN(CCF)C1 ZINC000898502323 621777607 /nfs/dbraw/zinc/77/76/07/621777607.db2.gz CYSQNDSWTJWZOA-LBPRGKRZSA-N -1 3 298.333 1.624 10 0 CDAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@]12C[C@H]1CCCC2 ZINC000898744795 621854339 /nfs/dbraw/zinc/85/43/39/621854339.db2.gz HUHDYWHKLJGGBR-MISXGVKJSA-N -1 3 263.341 1.195 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)N1C[C@@H]2CSC[C@@H]2C1 ZINC000899378215 622225422 /nfs/dbraw/zinc/22/54/22/622225422.db2.gz FBMXJHBUKQGEIR-PHIMTYICSA-N -1 3 281.352 1.895 10 0 CDAEHM CC1(C)CO[C@H](CCNC(=O)c2cc(=O)[n-]cn2)C1 ZINC000899457634 622261619 /nfs/dbraw/zinc/26/16/19/622261619.db2.gz XRKMUFASPDMIAX-SECBINFHSA-N -1 3 265.313 1.117 10 0 CDAEHM COC[C@@H](NC(=O)c1c(C)cccc1[O-])[C@@H]1CCCOC1 ZINC000899651505 622342395 /nfs/dbraw/zinc/34/23/95/622342395.db2.gz QLZGBXRUIIOVOD-CHWSQXEVSA-N -1 3 293.363 1.872 10 0 CDAEHM O=C([O-])[C@@]1(NCc2cnn3c2CCC3)CCc2ccccc21 ZINC000901667046 624401074 /nfs/dbraw/zinc/40/10/74/624401074.db2.gz VTAKJAAXHIQPAF-QGZVFWFLSA-N -1 3 297.358 1.845 10 0 CDAEHM Cc1ccc(F)c(CN2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC000903622571 626040244 /nfs/dbraw/zinc/04/02/44/626040244.db2.gz GCNUDIHSQCLVCS-ZDUSSCGKSA-N -1 3 253.273 1.156 10 0 CDAEHM Cc1c[nH]nc1CS(=O)(=O)c1nc(C(C)C)c[n-]1 ZINC000905276997 626731614 /nfs/dbraw/zinc/73/16/14/626731614.db2.gz YDWKKTMZPMBSBO-UHFFFAOYSA-N -1 3 268.342 1.539 10 0 CDAEHM COc1ccc([C@H](NC[C@@H](O)C(F)(F)F)C(=O)[O-])cc1 ZINC000905384021 626778978 /nfs/dbraw/zinc/77/89/78/626778978.db2.gz HUYOUTCZVCRHNT-ZJUUUORDSA-N -1 3 293.241 1.334 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)[C@H](C)[C@H]2CCCO2)[n-]1 ZINC000907717105 627805714 /nfs/dbraw/zinc/80/57/14/627805714.db2.gz XIIKRJFXNUESTR-RKDXNWHRSA-N -1 3 281.312 1.340 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)[C@H](C)[C@H]2CCCO2)c[n-]1 ZINC000907717105 627805716 /nfs/dbraw/zinc/80/57/16/627805716.db2.gz XIIKRJFXNUESTR-RKDXNWHRSA-N -1 3 281.312 1.340 10 0 CDAEHM CN(C)[C@@H](CNC(=O)N[C@@H](CF)C(=O)[O-])c1ccccc1 ZINC000908740617 628354617 /nfs/dbraw/zinc/35/46/17/628354617.db2.gz SWEASYXYHSXSEU-RYUDHWBXSA-N -1 3 297.330 1.011 10 0 CDAEHM C[C@@H](C(=O)N[C@@](C)(CCF)C(=O)[O-])N1CCCCCC1 ZINC000909970704 628786537 /nfs/dbraw/zinc/78/65/37/628786537.db2.gz GXADSKXWVKJWEQ-FZMZJTMJSA-N -1 3 288.363 1.570 10 0 CDAEHM C[C@@H]1CO[C@@H](C(=O)Nc2cccc(Cc3nnn[n-]3)c2)C1 ZINC000910040388 628836835 /nfs/dbraw/zinc/83/68/35/628836835.db2.gz YPZUFOYWYUVBFW-JOYOIKCWSA-N -1 3 287.323 1.154 10 0 CDAEHM C[C@@H]1CO[C@@H](C(=O)Nc2cccc(Cc3nn[n-]n3)c2)C1 ZINC000910040388 628836836 /nfs/dbraw/zinc/83/68/36/628836836.db2.gz YPZUFOYWYUVBFW-JOYOIKCWSA-N -1 3 287.323 1.154 10 0 CDAEHM C[C@]12CCCC[C@H]1CN2C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000910253498 628933146 /nfs/dbraw/zinc/93/31/46/628933146.db2.gz CSWZFXBONDCOSQ-WWGRRREGSA-N -1 3 294.395 1.574 10 0 CDAEHM CC(C)c1ccc(C(=O)N2CCC(CO)(CO)C2)c([O-])c1 ZINC000912551008 630073342 /nfs/dbraw/zinc/07/33/42/630073342.db2.gz FPTDDDJOWSLJDD-UHFFFAOYSA-N -1 3 293.363 1.333 10 0 CDAEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C1(C3CC3)CCC1)C2 ZINC000913294587 630439326 /nfs/dbraw/zinc/43/93/26/630439326.db2.gz NHKHFLGPYZDJKC-UHFFFAOYSA-N -1 3 273.336 1.913 10 0 CDAEHM CC/C=C/COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000156697640 630569105 /nfs/dbraw/zinc/56/91/05/630569105.db2.gz XLSVCFHOBLUJKB-JARNTUPDSA-N -1 3 277.386 1.460 10 0 CDAEHM C[C@H]1CN(C(=O)c2ccc(O)cc2[O-])Cc2c[nH]nc21 ZINC000913588539 630679518 /nfs/dbraw/zinc/67/95/18/630679518.db2.gz KSIMMNGTMBJBCU-QMMMGPOBSA-N -1 3 273.292 1.580 10 0 CDAEHM O=C(NCCCC1CC1)NN=c1cncc(Cl)[n-]1 ZINC000153749261 631840102 /nfs/dbraw/zinc/84/01/02/631840102.db2.gz ISYYYIITJZLBEY-UHFFFAOYSA-N -1 3 269.736 1.946 10 0 CDAEHM COC1(OC)CCCC[C@H]1[N-]S(=O)(=O)CCCF ZINC000918056927 632322899 /nfs/dbraw/zinc/32/28/99/632322899.db2.gz YHOSKHTUMFZNOD-SNVBAGLBSA-N -1 3 283.365 1.197 10 0 CDAEHM COC(=O)CC1CC([N-]S(=O)(=O)c2ccc(C)o2)C1 ZINC000921181378 632892531 /nfs/dbraw/zinc/89/25/31/632892531.db2.gz NSCWXLGNUVAKBY-UHFFFAOYSA-N -1 3 287.337 1.208 10 0 CDAEHM CCCCCC(=O)N1CC[C@](C)(NC(=O)c2cn[n-]n2)C1 ZINC001748108145 1158655796 /nfs/dbraw/zinc/65/57/96/1158655796.db2.gz BFYTVZUIPHLHGY-AWEZNQCLSA-N -1 3 293.371 1.106 10 0 CDAEHM CCOc1nnc(NC(=O)Cn2cnc3ccccc32)[n-]1 ZINC000228782934 1159890061 /nfs/dbraw/zinc/89/00/61/1159890061.db2.gz NPPNYVBGTONTEO-UHFFFAOYSA-N -1 3 286.295 1.192 10 0 CDAEHM CCOc1nc(NC(=O)Cn2cnc3ccccc32)n[n-]1 ZINC000228782934 1159890070 /nfs/dbraw/zinc/89/00/70/1159890070.db2.gz NPPNYVBGTONTEO-UHFFFAOYSA-N -1 3 286.295 1.192 10 0 CDAEHM CCOc1n[n-]c(NC(=O)Cn2cnc3ccccc32)n1 ZINC000228782934 1159890078 /nfs/dbraw/zinc/89/00/78/1159890078.db2.gz NPPNYVBGTONTEO-UHFFFAOYSA-N -1 3 286.295 1.192 10 0 CDAEHM CCn1cnnc1[N-]C(=O)c1c(Cl)ccnc1F ZINC001623902160 1165801849 /nfs/dbraw/zinc/80/18/49/1165801849.db2.gz AHIRQFGYQAUCIM-UHFFFAOYSA-N -1 3 269.667 1.738 10 0 CDAEHM COCCCCN(C)C(=O)c1nnc2ccccc2c1[O-] ZINC001626727451 1165952673 /nfs/dbraw/zinc/95/26/73/1165952673.db2.gz MHUCDKFEWBLYCV-UHFFFAOYSA-N -1 3 289.335 1.834 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)C=Cc2cccs2)n1 ZINC001628268752 1166058633 /nfs/dbraw/zinc/05/86/33/1166058633.db2.gz RNKBVMSZPBHXDG-SNAWJCMRSA-N -1 3 275.333 1.882 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)C=Cc2cccnc2)n1 ZINC001631851816 1166306986 /nfs/dbraw/zinc/30/69/86/1166306986.db2.gz BTHDJEDECJENDU-SNAWJCMRSA-N -1 3 270.292 1.215 10 0 CDAEHM CC(C)[C@@H](CO)O[N-]C(=O)Cc1cc(F)ccc1O ZINC001636275491 1166666199 /nfs/dbraw/zinc/66/61/99/1166666199.db2.gz YWFWQEKSNJLOAZ-GFCCVEGCSA-N -1 3 271.288 1.139 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(Cl)cc2N)[n-]1 ZINC001636376997 1166673598 /nfs/dbraw/zinc/67/35/98/1166673598.db2.gz MSGBRMKJVYEITH-UHFFFAOYSA-N -1 3 267.676 1.301 10 0 CDAEHM COc1nc(NC(=O)c2ccc(Cl)cc2N)n[n-]1 ZINC001636376997 1166673602 /nfs/dbraw/zinc/67/36/02/1166673602.db2.gz MSGBRMKJVYEITH-UHFFFAOYSA-N -1 3 267.676 1.301 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(Cl)cc2N)n1 ZINC001636376997 1166673603 /nfs/dbraw/zinc/67/36/03/1166673603.db2.gz MSGBRMKJVYEITH-UHFFFAOYSA-N -1 3 267.676 1.301 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001411761469 1166707151 /nfs/dbraw/zinc/70/71/51/1166707151.db2.gz AYXKWINXRPVMCF-MCIONIFRSA-N -1 3 285.347 1.418 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001411761473 1166707567 /nfs/dbraw/zinc/70/75/67/1166707567.db2.gz AYXKWINXRPVMCF-MJBXVCDLSA-N -1 3 285.347 1.418 10 0 CDAEHM Cc1cccc(F)c1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001644268935 1167302809 /nfs/dbraw/zinc/30/28/09/1167302809.db2.gz RNRVMTAGDJTQSQ-UHFFFAOYSA-N -1 3 293.323 1.848 10 0 CDAEHM COc1nnc(NC(=O)c2[nH]c(=O)c3ccccc3c2C)[n-]1 ZINC001566428018 1168270173 /nfs/dbraw/zinc/27/01/73/1168270173.db2.gz MHMJTBIMVLBGTR-UHFFFAOYSA-N -1 3 299.290 1.628 10 0 CDAEHM COc1nc(NC(=O)c2[nH]c(=O)c3ccccc3c2C)n[n-]1 ZINC001566428018 1168270179 /nfs/dbraw/zinc/27/01/79/1168270179.db2.gz MHMJTBIMVLBGTR-UHFFFAOYSA-N -1 3 299.290 1.628 10 0 CDAEHM COc1n[n-]c(NC(=O)c2[nH]c(=O)c3ccccc3c2C)n1 ZINC001566428018 1168270185 /nfs/dbraw/zinc/27/01/85/1168270185.db2.gz MHMJTBIMVLBGTR-UHFFFAOYSA-N -1 3 299.290 1.628 10 0 CDAEHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1nnc(C2CC2)o1 ZINC001569459151 1169884179 /nfs/dbraw/zinc/88/41/79/1169884179.db2.gz SAXKFBYJLZBNEF-UHFFFAOYSA-N -1 3 285.263 1.781 10 0 CDAEHM CCn1c(C)cc2n[n-]c(NC(=O)c3cnco3)c2c1=O ZINC001651095991 1171287138 /nfs/dbraw/zinc/28/71/38/1171287138.db2.gz ZWATYJGYVRRYFV-UHFFFAOYSA-N -1 3 287.279 1.293 10 0 CDAEHM C[C@@H]1C(=O)CCCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001654984606 1171656468 /nfs/dbraw/zinc/65/64/68/1171656468.db2.gz KPYGLVMKQWAVEY-SECBINFHSA-N -1 3 261.325 1.613 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2ncc[nH]2)c1 ZINC001586181863 1172935155 /nfs/dbraw/zinc/93/51/55/1172935155.db2.gz RCHXCCHTNFPAAL-UHFFFAOYSA-N -1 3 286.291 1.170 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(Cl)nc2F)[n-]1 ZINC001596255625 1174234278 /nfs/dbraw/zinc/23/42/78/1174234278.db2.gz GMFWUSRPPYLLRB-UHFFFAOYSA-N -1 3 271.639 1.253 10 0 CDAEHM COc1nc(NC(=O)c2ccc(Cl)nc2F)n[n-]1 ZINC001596255625 1174234283 /nfs/dbraw/zinc/23/42/83/1174234283.db2.gz GMFWUSRPPYLLRB-UHFFFAOYSA-N -1 3 271.639 1.253 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(Cl)nc2F)n1 ZINC001596255625 1174234291 /nfs/dbraw/zinc/23/42/91/1174234291.db2.gz GMFWUSRPPYLLRB-UHFFFAOYSA-N -1 3 271.639 1.253 10 0 CDAEHM O=C(/C=C\C1CC1)NCCCNC(=O)c1ccccc1[O-] ZINC001686892358 1174797488 /nfs/dbraw/zinc/79/74/88/1174797488.db2.gz CQDBYJMPPPRDHL-HJWRWDBZSA-N -1 3 288.347 1.595 10 0 CDAEHM O=C(CC1CC1)NC/C=C\CNC(=O)c1ccccc1[O-] ZINC001704955078 1177799445 /nfs/dbraw/zinc/79/94/45/1177799445.db2.gz VCNKZRKQLUZZCK-ARJAWSKDSA-N -1 3 288.347 1.595 10 0 CDAEHM CC1(C(=O)NC/C=C/CNC(=O)c2ccccc2[O-])CC1 ZINC001704979758 1177807750 /nfs/dbraw/zinc/80/77/50/1177807750.db2.gz REGIEZBQXMQSHY-SNAWJCMRSA-N -1 3 288.347 1.595 10 0 CDAEHM O=C([O-])C1(CNC(=O)c2ccc3c(c2)CNC3)CCC1 ZINC000156809225 1178192455 /nfs/dbraw/zinc/19/24/55/1178192455.db2.gz WQTGHRXZDFGWKB-UHFFFAOYSA-N -1 3 274.320 1.275 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNc1ncc(Cl)s1 ZINC000309804906 1186667318 /nfs/dbraw/zinc/66/73/18/1186667318.db2.gz RWUNNDMXOHKPPI-LURJTMIESA-N -1 3 258.734 1.720 10 0 CDAEHM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000397010063 1187292939 /nfs/dbraw/zinc/29/29/39/1187292939.db2.gz DNAGVYYTRRQCQQ-VXGBXAGGSA-N -1 3 290.319 1.218 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]C1(C)CCCC1 ZINC000866606169 1164797942 /nfs/dbraw/zinc/79/79/42/1164797942.db2.gz YPYVFJGKXMJAOY-HNNXBMFYSA-N -1 3 268.404 1.271 10 0 CDAEHM C[C@H]([N-]S(=O)(=O)c1nncn1C)[C@]12C[C@H]1CCCC2 ZINC000867622554 1164845607 /nfs/dbraw/zinc/84/56/07/1164845607.db2.gz ABNFPMULMIOSAA-UMNHJUIQSA-N -1 3 284.385 1.062 10 0 CDAEHM CCC=C(F)C(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC000867769767 1164863548 /nfs/dbraw/zinc/86/35/48/1164863548.db2.gz BDYJIPLYGHZEAU-FNORWQNLSA-N -1 3 255.249 1.788 10 0 CDAEHM Cn1ccc(S(=O)(=O)[N-]CC(C)(C)C(C)(F)F)n1 ZINC000867786086 1164866136 /nfs/dbraw/zinc/86/61/36/1164866136.db2.gz ILHBMZMWWQXXTB-UHFFFAOYSA-N -1 3 281.328 1.380 10 0 CDAEHM C[C@@H]1C[C@H](C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)[C@@H](C)O1 ZINC000869652964 1165089213 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CDAEHM O=C(c1cncc(Cl)c1)N1CCCc2c(=O)[n-]cnc21 ZINC001361619665 970348031 /nfs/dbraw/zinc/34/80/31/970348031.db2.gz VUIZKHOFTUIUNK-UHFFFAOYSA-N -1 3 290.710 1.824 10 0 CDAEHM CCOc1nnc(NC(=O)c2nn(CC)cc2Cl)[n-]1 ZINC001471300807 970409708 /nfs/dbraw/zinc/40/97/08/970409708.db2.gz QAVPSPIBHRERNZ-UHFFFAOYSA-N -1 3 284.707 1.326 10 0 CDAEHM CCOc1nc(NC(=O)c2nn(CC)cc2Cl)n[n-]1 ZINC001471300807 970409714 /nfs/dbraw/zinc/40/97/14/970409714.db2.gz QAVPSPIBHRERNZ-UHFFFAOYSA-N -1 3 284.707 1.326 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2nn(CC)cc2Cl)n1 ZINC001471300807 970409719 /nfs/dbraw/zinc/40/97/19/970409719.db2.gz QAVPSPIBHRERNZ-UHFFFAOYSA-N -1 3 284.707 1.326 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc2ccsc2[nH]1 ZINC001361773220 970514165 /nfs/dbraw/zinc/51/41/65/970514165.db2.gz UZAXFOQFKMHMJE-SECBINFHSA-N -1 3 290.348 1.471 10 0 CDAEHM CC(C)(C)c1nsc([N-]C(=O)c2cnncc2O)n1 ZINC001361903011 970658918 /nfs/dbraw/zinc/65/89/18/970658918.db2.gz ITUAWEZVHIBPLF-UHFFFAOYSA-N -1 3 279.325 1.584 10 0 CDAEHM C[C@H](CCNCc1ccon1)NC(=O)c1ncccc1[O-] ZINC001497174534 973225827 /nfs/dbraw/zinc/22/58/27/973225827.db2.gz HIUGYAUYWVLCLC-SNVBAGLBSA-N -1 3 290.323 1.073 10 0 CDAEHM C[C@@H](CNC(=O)c1cccc([O-])c1F)CN1CCOCC1 ZINC001417651580 973241952 /nfs/dbraw/zinc/24/19/52/973241952.db2.gz XVCOXBGSQWGWES-NSHDSACASA-N -1 3 296.342 1.229 10 0 CDAEHM Cc1ccnc(N2CCN(C(=O)c3ccc([O-])cn3)CC2)c1 ZINC001417668561 973262207 /nfs/dbraw/zinc/26/22/07/973262207.db2.gz IERLLIVGKWFXCV-UHFFFAOYSA-N -1 3 298.346 1.453 10 0 CDAEHM COc1nnc(NC(=O)c2cccc(C(F)(F)F)n2)[n-]1 ZINC001417681787 973279263 /nfs/dbraw/zinc/27/92/63/973279263.db2.gz XNRXPFMHVIZWGW-UHFFFAOYSA-N -1 3 287.201 1.479 10 0 CDAEHM COc1nc(NC(=O)c2cccc(C(F)(F)F)n2)n[n-]1 ZINC001417681787 973279271 /nfs/dbraw/zinc/27/92/71/973279271.db2.gz XNRXPFMHVIZWGW-UHFFFAOYSA-N -1 3 287.201 1.479 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cccc(C(F)(F)F)n2)n1 ZINC001417681787 973279279 /nfs/dbraw/zinc/27/92/79/973279279.db2.gz XNRXPFMHVIZWGW-UHFFFAOYSA-N -1 3 287.201 1.479 10 0 CDAEHM CCOC(=O)c1cc(C(=O)[N-]c2cccc(O)c2F)on1 ZINC001417682618 973280004 /nfs/dbraw/zinc/28/00/04/973280004.db2.gz WRCVJQNKRRNHAX-UHFFFAOYSA-N -1 3 294.238 1.948 10 0 CDAEHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)C1N=NC(=O)N1C ZINC001418235195 973687741 /nfs/dbraw/zinc/68/77/41/973687741.db2.gz OJWUYUFROXVLBQ-LURJTMIESA-N -1 3 296.714 1.371 10 0 CDAEHM C/C=C(/C)C(=O)N[C@H](CC)CNC(=O)c1ccccc1[O-] ZINC001498924363 974112151 /nfs/dbraw/zinc/11/21/51/974112151.db2.gz DRIUTSAKEFBHQD-CSXHZRMWSA-N -1 3 290.363 1.983 10 0 CDAEHM C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1ccc(F)c([O-])c1 ZINC001546269401 974253232 /nfs/dbraw/zinc/25/32/32/974253232.db2.gz UCOMVACBQZQNRN-VHSXEESVSA-N -1 3 266.316 1.696 10 0 CDAEHM Cn1cc(CN[C@H](Cc2cccc(Cl)c2)C(=O)[O-])nn1 ZINC001647410262 1126249068 /nfs/dbraw/zinc/24/90/68/1126249068.db2.gz IPRUDKXDIMQBEP-GFCCVEGCSA-N -1 3 294.742 1.254 10 0 CDAEHM Cn1ccc(CCC(=O)[N-]Oc2ccccc2F)n1 ZINC001651412271 1171320095 /nfs/dbraw/zinc/32/00/95/1171320095.db2.gz DTRIOSSNUXZEAC-UHFFFAOYSA-N -1 3 263.272 1.602 10 0 CDAEHM C[C@H]1CC[C@H](NC(=O)c2cccc([O-])c2)CS1(=O)=O ZINC000618308855 349434588 /nfs/dbraw/zinc/43/45/88/349434588.db2.gz XTPBPZSGKWUKOU-ONGXEEELSA-N -1 3 283.349 1.088 10 0 CDAEHM Cn1cc(N2C[C@H](c3ccccc3)CC2=O)cc([O-])c1=O ZINC000148469498 342002770 /nfs/dbraw/zinc/00/27/70/342002770.db2.gz VKXRBNZRCLJGGP-GFCCVEGCSA-N -1 3 284.315 1.611 10 0 CDAEHM CCS(=O)(=O)c1c2ccc(N)cc2oc1C(=O)[O-] ZINC000584881987 342053191 /nfs/dbraw/zinc/05/31/91/342053191.db2.gz VPINDMRVYYMUJD-UHFFFAOYSA-N -1 3 269.278 1.507 10 0 CDAEHM C[C@H]1NCc2ccccc2[C@H]1[N-]C(=O)C(F)(F)F ZINC000082806189 178308330 /nfs/dbraw/zinc/30/83/30/178308330.db2.gz AYBQMEZYBROCHB-XCBNKYQSSA-N -1 3 258.243 1.898 10 0 CDAEHM CCO[C@H](CN1CCC[C@@H]1c1nc(=N)n(C)[n-]1)C1CC1 ZINC000625391620 342096356 /nfs/dbraw/zinc/09/63/56/342096356.db2.gz GVEDLSNMTYYYMM-VXGBXAGGSA-N -1 3 279.388 1.180 10 0 CDAEHM CSc1ccc([O-])c(C(=O)N2CCO[C@@H]([C@H](C)O)C2)c1 ZINC000616320336 342128924 /nfs/dbraw/zinc/12/89/24/342128924.db2.gz 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/nfs/dbraw/zinc/73/05/76/342730576.db2.gz GCNLPRIBDPPAIW-SNVBAGLBSA-N -1 3 298.346 1.988 10 0 CDAEHM CC[C@H](CNC(=O)c1ccc([O-])c(C)c1)C(=O)OC ZINC000592854698 342738024 /nfs/dbraw/zinc/73/80/24/342738024.db2.gz OWZYTCSTVHQVKI-SNVBAGLBSA-N -1 3 265.309 1.630 10 0 CDAEHM CCc1ccc(C(=O)NC[C@@H](CC)C(=O)OC)c([O-])c1 ZINC000592855927 342738074 /nfs/dbraw/zinc/73/80/74/342738074.db2.gz UPNBKUIFVNLMTH-LLVKDONJSA-N -1 3 279.336 1.884 10 0 CDAEHM CC[C@H](CNC(=O)c1cc(F)cc2nn[n-]c21)C(=O)OC ZINC000592860441 342739384 /nfs/dbraw/zinc/73/93/84/342739384.db2.gz QANSGSLYRAGXRD-SSDOTTSWSA-N -1 3 294.286 1.026 10 0 CDAEHM CC[C@H](CNC(=O)c1cc(F)cc2[n-]nnc21)C(=O)OC ZINC000592860441 342739386 /nfs/dbraw/zinc/73/93/86/342739386.db2.gz QANSGSLYRAGXRD-SSDOTTSWSA-N -1 3 294.286 1.026 10 0 CDAEHM CC[C@H](CNC(=O)c1cc(F)cc2n[n-]nc21)C(=O)OC ZINC000592860441 342739388 /nfs/dbraw/zinc/73/93/88/342739388.db2.gz QANSGSLYRAGXRD-SSDOTTSWSA-N -1 3 294.286 1.026 10 0 CDAEHM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cc(=O)[n-]cn1 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CDAEHM O=c1[nH]cc(S(=O)(=O)[N-]CC[C@@H]2CC=CCC2)s1 ZINC000632596672 362125388 /nfs/dbraw/zinc/12/53/88/362125388.db2.gz XIXPVZZWLCQJCA-SECBINFHSA-N -1 3 288.394 1.873 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](COC)c2ccco2)c1 ZINC000080790059 342359990 /nfs/dbraw/zinc/35/99/90/342359990.db2.gz NKHBGQHBIPXOED-JTQLQIEISA-N -1 3 299.352 1.162 10 0 CDAEHM O=C(Nc1ccccc1[O-])[C@@H](O)C1CCOCC1 ZINC000535354935 282253322 /nfs/dbraw/zinc/25/33/22/282253322.db2.gz LMHHAQPGYFYIOQ-LBPRGKRZSA-N -1 3 251.282 1.118 10 0 CDAEHM CC[C@@H](C)C[C@H](NC(=O)c1cc(F)c[n-]c1=O)C(=O)OC ZINC000598741450 343893696 /nfs/dbraw/zinc/89/36/96/343893696.db2.gz GMLIGQCZSISLEA-KCJUWKMLSA-N -1 3 298.314 1.634 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000612089711 347010943 /nfs/dbraw/zinc/01/09/43/347010943.db2.gz MHIFPQAGILJPED-HLTSFMKQSA-N -1 3 263.297 1.571 10 0 CDAEHM O=C(Cc1cncc([O-])c1)NCCCC1CCOCC1 ZINC000571297675 362319330 /nfs/dbraw/zinc/31/93/30/362319330.db2.gz 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/nfs/dbraw/zinc/10/73/46/345107346.db2.gz INPWAKQAEOVEBO-NSHDSACASA-N -1 3 278.352 1.530 10 0 CDAEHM CCc1cc(=NC(=O)c2cccc(N(C)C)c2)[n-]o1 ZINC000606933510 345107936 /nfs/dbraw/zinc/10/79/36/345107936.db2.gz LQQZKHFNKUCDIZ-UHFFFAOYSA-N -1 3 259.309 1.977 10 0 CDAEHM Cn1ccnc1C[C@H](NC(=O)c1c[n-]nn1)c1ccccc1 ZINC000608204812 345636724 /nfs/dbraw/zinc/63/67/24/345636724.db2.gz BPZLKCBSYVZMLU-LBPRGKRZSA-N -1 3 296.334 1.252 10 0 CDAEHM Cn1ccnc1C[C@H](NC(=O)c1cnn[n-]1)c1ccccc1 ZINC000608204812 345636726 /nfs/dbraw/zinc/63/67/26/345636726.db2.gz BPZLKCBSYVZMLU-LBPRGKRZSA-N -1 3 296.334 1.252 10 0 CDAEHM Cn1ccnc1C[C@H](NC(=O)c1cn[n-]n1)c1ccccc1 ZINC000608204812 345636729 /nfs/dbraw/zinc/63/67/29/345636729.db2.gz BPZLKCBSYVZMLU-LBPRGKRZSA-N -1 3 296.334 1.252 10 0 CDAEHM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000626507625 346183633 /nfs/dbraw/zinc/18/36/33/346183633.db2.gz HTERUTVVZJCHCA-SFYZADRCSA-N -1 3 289.257 1.985 10 0 CDAEHM COc1cc(=NC(=O)NC[C@@H]2CCCC23CC3)[n-]n1C 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C[C@@H](Cc1cccc(Cl)c1)NC(=O)[C@@H](N)CCC(=O)[O-] ZINC000085819471 179182011 /nfs/dbraw/zinc/18/20/11/179182011.db2.gz SBUKWZYSQWKNSJ-CABZTGNLSA-N -1 3 298.770 1.579 10 0 CDAEHM N[C@@H](CCC(=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000085820124 179182986 /nfs/dbraw/zinc/18/29/86/179182986.db2.gz FLDPQCAJVYWJQZ-ZDUSSCGKSA-N -1 3 291.351 1.417 10 0 CDAEHM C[C@@H](CCc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(=O)[O-] ZINC000085819723 179183162 /nfs/dbraw/zinc/18/31/62/179183162.db2.gz HUBUQBSRYNFIPK-GWCFXTLKSA-N -1 3 294.351 1.022 10 0 CDAEHM C[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)CCC(=O)[O-] ZINC000085844659 179186386 /nfs/dbraw/zinc/18/63/86/179186386.db2.gz DHHGRIAAMYZDTE-JOYOIKCWSA-N -1 3 282.315 1.065 10 0 CDAEHM C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@H](N)CC(=O)[O-] ZINC000085815657 179179390 /nfs/dbraw/zinc/17/93/90/179179390.db2.gz BYDFKBIHOJIUJX-LDYMZIIASA-N -1 3 268.288 1.147 10 0 CDAEHM CCN(c1ccc(NC(=O)[C@H](N)CC(=O)[O-])cc1)C(C)C ZINC000085817480 179179952 /nfs/dbraw/zinc/17/99/52/179179952.db2.gz 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ZINC000632390644 377380800 /nfs/dbraw/zinc/38/08/00/377380800.db2.gz GIGYOORAQAYOIO-JTQLQIEISA-N -1 3 277.386 1.042 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2conc2C)o1 ZINC000632397661 377394212 /nfs/dbraw/zinc/39/42/12/377394212.db2.gz HIYOZUYBPUIQJA-UHFFFAOYSA-N -1 3 256.283 1.363 10 0 CDAEHM COC1CCC([N-]S(=O)(=O)c2c[nH]c(=O)s2)CC1 ZINC000632441391 377460226 /nfs/dbraw/zinc/46/02/26/377460226.db2.gz ZITWMCLREHXNNP-UHFFFAOYSA-N -1 3 292.382 1.085 10 0 CDAEHM Cc1nocc1S(=O)(=O)[N-][C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000632499875 377537068 /nfs/dbraw/zinc/53/70/68/377537068.db2.gz OIOBWBCOJLUCRL-AOOOYVTPSA-N -1 3 288.369 1.607 10 0 CDAEHM COC1CC(CC[N-]S(=O)(=O)c2conc2C)C1 ZINC000632545050 377585813 /nfs/dbraw/zinc/58/58/13/377585813.db2.gz UJAPGIVSRROQIW-UHFFFAOYSA-N -1 3 274.342 1.076 10 0 CDAEHM CCn1cccc([N-]S(=O)(=O)c2ccc(C)o2)c1=O ZINC000334842812 377602421 /nfs/dbraw/zinc/60/24/21/377602421.db2.gz WIBCIPOBVJOFJW-UHFFFAOYSA-N -1 3 282.321 1.570 10 0 CDAEHM COC1(CS(=O)(=O)[N-]CC(=O)C2CCCC2)CCC1 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O=S(=O)([N-]C[C@@H]1CCc2cccnc21)c1cscn1 ZINC000632732461 377807180 /nfs/dbraw/zinc/80/71/80/377807180.db2.gz XTUVZAXMMGZHDU-JTQLQIEISA-N -1 3 295.389 1.546 10 0 CDAEHM CC(C)(C)c1nc[nH]c1C(=O)NCc1ncccc1[O-] ZINC000632805497 377878033 /nfs/dbraw/zinc/87/80/33/377878033.db2.gz IUXRKYWCUPUTAM-UHFFFAOYSA-N -1 3 274.324 1.738 10 0 CDAEHM CC[C@@H](C)[C@@H](C)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633520689 378509987 /nfs/dbraw/zinc/50/99/87/378509987.db2.gz JSQMTTKDTFVQPC-HTQZYQBOSA-N -1 3 253.302 1.186 10 0 CDAEHM O=C(Cc1cccc(C2CC2)c1)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633521294 378511995 /nfs/dbraw/zinc/51/19/95/378511995.db2.gz ONMDJNAHOHAZKS-UHFFFAOYSA-N -1 3 299.330 1.624 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(=O)[nH]1)C1(C2CCC2)CCC1 ZINC000633521691 378513557 /nfs/dbraw/zinc/51/35/57/378513557.db2.gz UKQSLQUCYUXPNY-UHFFFAOYSA-N -1 3 277.324 1.474 10 0 CDAEHM CCC1(C(=O)NCc2cc(=O)[n-]c(=O)[nH]2)CCCC1 ZINC000633521680 378513586 /nfs/dbraw/zinc/51/35/86/378513586.db2.gz UGFXONWBGCRPOI-UHFFFAOYSA-N -1 3 265.313 1.474 10 0 CDAEHM O=C(NCc1ncccc1[O-])N[C@H]1CCCn2nccc21 ZINC000633600052 378578475 /nfs/dbraw/zinc/57/84/75/378578475.db2.gz RHVJPGTUYGOVQF-JTQLQIEISA-N -1 3 287.323 1.318 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N(C)C[C@H]1CN(C)CCO1 ZINC000633913473 378864032 /nfs/dbraw/zinc/86/40/32/378864032.db2.gz AKCLQRBPBMRVON-GFCCVEGCSA-N -1 3 278.352 1.103 10 0 CDAEHM CN1CC(=O)[N-][C@@H]1c1ncc(C(F)(F)F)s1 ZINC000278689764 194105320 /nfs/dbraw/zinc/10/53/20/194105320.db2.gz IVOOMYQRGZUWID-LURJTMIESA-N -1 3 251.233 1.222 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCOC2(C)C)o1 ZINC000660109567 412925455 /nfs/dbraw/zinc/92/54/55/412925455.db2.gz CFLJPRRODBIQLE-SNVBAGLBSA-N -1 3 273.354 1.681 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(CC(F)F)CC2)n1 ZINC000279061003 194268235 /nfs/dbraw/zinc/26/82/35/194268235.db2.gz AVPZNGGATWYQSN-JTQLQIEISA-N -1 3 286.326 1.434 10 0 CDAEHM COC(=O)c1ncccc1S(=O)(=O)[N-]CC1(C)CCC1 ZINC000451291477 251671559 /nfs/dbraw/zinc/67/15/59/251671559.db2.gz PBDWJUDVKXCHDK-UHFFFAOYSA-N -1 3 298.364 1.337 10 0 CDAEHM CCCc1cc(C(=O)NCc2ncccc2[O-])no1 ZINC000451335744 251685035 /nfs/dbraw/zinc/68/50/35/251685035.db2.gz CLXXRDYKHSMZKI-UHFFFAOYSA-N -1 3 261.281 1.658 10 0 CDAEHM O=C([O-])C[C@@H](NC(=O)[C@H]1CCCCN1)c1cccs1 ZINC000037043226 184538682 /nfs/dbraw/zinc/53/86/82/184538682.db2.gz RSDLXZXLHNTZJT-NXEZZACHSA-N -1 3 282.365 1.522 10 0 CDAEHM Cn1c(=O)[n-]nc1SCCO[C@H]1CC1(F)F ZINC000663948737 412973206 /nfs/dbraw/zinc/97/32/06/412973206.db2.gz FEBNJIKJVYOZMK-YFKPBYRVSA-N -1 3 251.258 1.037 10 0 CDAEHM CC(C)c1cc(N2CCC[C@H]2c2nc(=N)n(C)[n-]2)ncn1 ZINC000663964305 412983915 /nfs/dbraw/zinc/98/39/15/412983915.db2.gz ZNYYPENYANZQDI-NSHDSACASA-N -1 3 287.371 1.483 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-]Cc1ccco1 ZINC000288971301 197203286 /nfs/dbraw/zinc/20/32/86/197203286.db2.gz QVAFRXWNMNUOOT-UHFFFAOYSA-N -1 3 282.321 1.552 10 0 CDAEHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000188527088 140096777 /nfs/dbraw/zinc/09/67/77/140096777.db2.gz ASPYLTDDSYTAEE-YUMQZZPRSA-N -1 3 279.308 1.667 10 0 CDAEHM C[C@@H]1COC[C@H](C)N1C(=O)/C=C/c1cncc([O-])c1 ZINC000179513317 260052646 /nfs/dbraw/zinc/05/26/46/260052646.db2.gz XYBRLTIRFCVBFD-VMDCKITASA-N -1 3 262.309 1.436 10 0 CDAEHM O=C(N=c1[nH][n-]cc1Br)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403695432 390952747 /nfs/dbraw/zinc/95/27/47/390952747.db2.gz AXTAEAOFZMMMOK-BWZBUEFSSA-N -1 3 284.157 1.969 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCN(Cc2cc[nH]n2)CC1 ZINC000092937825 390898449 /nfs/dbraw/zinc/89/84/49/390898449.db2.gz AKHKMROCHUHBMQ-UHFFFAOYSA-N -1 3 286.335 1.073 10 0 CDAEHM CC(C)CO[C@@H](C)C(=O)NCc1ncccc1[O-] ZINC000527190401 390997593 /nfs/dbraw/zinc/99/75/93/390997593.db2.gz BAZQGFYNFAEKPB-JTQLQIEISA-N -1 3 252.314 1.465 10 0 CDAEHM CCc1cccnc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527208865 391003557 /nfs/dbraw/zinc/00/35/57/391003557.db2.gz JKLHVDYFZHINKN-GFCCVEGCSA-N -1 3 286.335 1.893 10 0 CDAEHM O=c1[n-]nc(C2CCN(CCOCC3CCC3)CC2)o1 ZINC000419291582 391035522 /nfs/dbraw/zinc/03/55/22/391035522.db2.gz LLIOICSWXQGOAK-UHFFFAOYSA-N -1 3 281.356 1.771 10 0 CDAEHM Cc1cccc(CNC(=O)c2ccc3n[n-]nc3c2)n1 ZINC000048736565 391057818 /nfs/dbraw/zinc/05/78/18/391057818.db2.gz HVERAWCNRMNGSU-UHFFFAOYSA-N -1 3 267.292 1.591 10 0 CDAEHM CCCC[C@H](CN)N=c1[n-]c([C@@H](C)OC)ns1 ZINC000336683956 391153525 /nfs/dbraw/zinc/15/35/25/391153525.db2.gz CNPKMLICZSWRQA-RKDXNWHRSA-N -1 3 258.391 1.597 10 0 CDAEHM CCCC[C@H](CN)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000336683956 391153530 /nfs/dbraw/zinc/15/35/30/391153530.db2.gz CNPKMLICZSWRQA-RKDXNWHRSA-N -1 3 258.391 1.597 10 0 CDAEHM CCOc1nc2cc(C(=O)N[C@H]3C[C@@](C)(O)C3)ccc2[n-]1 ZINC000416295572 391260315 /nfs/dbraw/zinc/26/03/15/391260315.db2.gz UFUYIXVOAJBMNC-AVCCJPFPSA-N -1 3 289.335 1.605 10 0 CDAEHM CCOc1nc2ccc(C(=O)N[C@H]3C[C@@](C)(O)C3)cc2[n-]1 ZINC000416295572 391260319 /nfs/dbraw/zinc/26/03/19/391260319.db2.gz UFUYIXVOAJBMNC-AVCCJPFPSA-N -1 3 289.335 1.605 10 0 CDAEHM COc1cc(C(=O)N[C@H]2C[C@@](C)(O)C2)cc(OC)c1[O-] 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10 0 CDAEHM CCN(CCC(=O)[O-])CC(=O)N[C@H](C)c1ccccc1C ZINC000038025162 174009309 /nfs/dbraw/zinc/00/93/09/174009309.db2.gz OAHLJYXJRPJBSG-CYBMUJFWSA-N -1 3 292.379 1.969 10 0 CDAEHM CC[C@@](C)(NC(=O)c1ccccc1[O-])C(N)=S ZINC000040358693 174246138 /nfs/dbraw/zinc/24/61/38/174246138.db2.gz JSLZDXCUIGVJDU-GFCCVEGCSA-N -1 3 252.339 1.577 10 0 CDAEHM CC[C@@H](N)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000040471598 174280198 /nfs/dbraw/zinc/28/01/98/174280198.db2.gz UIGMRECTVLDNJL-MRVPVSSYSA-N -1 3 256.689 1.714 10 0 CDAEHM CC(C)C[C@@H](N)C(=O)Nc1ccccc1C(=O)[O-] ZINC000040472798 174280510 /nfs/dbraw/zinc/28/05/10/174280510.db2.gz KQWZZENGUAECAO-SNVBAGLBSA-N -1 3 250.298 1.697 10 0 CDAEHM Cc1ccccc1N(CCC(=O)[O-])C(=O)[C@H]1CCCCN1 ZINC000040483934 174287812 /nfs/dbraw/zinc/28/78/12/174287812.db2.gz OCIVLNOSYWTCRD-CYBMUJFWSA-N -1 3 290.363 1.945 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)N(CCC(=O)[O-])C(C)(C)C ZINC000040484438 174288231 /nfs/dbraw/zinc/28/82/31/174288231.db2.gz RADMLMNEKNABFC-ONGXEEELSA-N -1 3 258.362 1.462 10 0 CDAEHM CC(C)NCC(=O)N[C@@]1(C(=O)[O-])CCC[C@H](C)C1 ZINC000041036695 174459535 /nfs/dbraw/zinc/45/95/35/174459535.db2.gz NUWMSSUICUGFSK-GWCFXTLKSA-N -1 3 256.346 1.134 10 0 CDAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC[C@@H]1c1cccs1 ZINC000042464650 174753032 /nfs/dbraw/zinc/75/30/32/174753032.db2.gz PTVMEYTTXLAPGA-DTWKUNHWSA-N -1 3 293.348 1.010 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c1 ZINC000043334195 175010440 /nfs/dbraw/zinc/01/04/40/175010440.db2.gz DDCUGGYOFILWEZ-UWVGGRQHSA-N -1 3 292.335 1.127 10 0 CDAEHM CC(C)C[C@@H](N[C@@H]1COc2cc(O)ccc21)C(=O)[O-] ZINC000043432456 175043687 /nfs/dbraw/zinc/04/36/87/175043687.db2.gz UPAQVEQIHNMTRM-VXGBXAGGSA-N -1 3 265.309 1.915 10 0 CDAEHM CCCC[C@@H](N)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000043601413 175077641 /nfs/dbraw/zinc/07/76/41/175077641.db2.gz UGRWYFVYIRGGQA-KGLIPLIRSA-N -1 3 290.363 1.715 10 0 CDAEHM CCNCC(=O)N(CCC(=O)[O-])c1ccccc1C ZINC000044651083 175224709 /nfs/dbraw/zinc/22/47/09/175224709.db2.gz UBZDUVVHOLCMOX-UHFFFAOYSA-N -1 3 264.325 1.412 10 0 CDAEHM CC[C@H](C)[C@@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)C(=O)[O-] ZINC000044681139 175229300 /nfs/dbraw/zinc/22/93/00/175229300.db2.gz RWHZMFBIEPTESB-HOSYDEDBSA-N -1 3 283.372 1.022 10 0 CDAEHM CCOC[C@@H](C)N[C@H](C)c1c(C)nc(C)[n-]c1=O ZINC000044691829 175233681 /nfs/dbraw/zinc/23/36/81/175233681.db2.gz HQABRDSAGUFVEY-RKDXNWHRSA-N -1 3 253.346 1.462 10 0 CDAEHM Cc1cc(C[N-]S(=O)(=O)c2cc(N)cs2)on1 ZINC000044986899 175284324 /nfs/dbraw/zinc/28/43/24/175284324.db2.gz YONQFQZGGPVVEX-UHFFFAOYSA-N -1 3 273.339 1.105 10 0 CDAEHM COc1ccc([O-])c(C(=O)N(C)[C@@H](C)C(N)=S)c1 ZINC000045146723 175316721 /nfs/dbraw/zinc/31/67/21/175316721.db2.gz CVUCSJPRGVKRCQ-ZETCQYMHSA-N -1 3 268.338 1.147 10 0 CDAEHM C[C@H](NCc1ccc2c(c1)CC(C)(C)O2)c1nn[n-]n1 ZINC000071170355 176051031 /nfs/dbraw/zinc/05/10/31/176051031.db2.gz GOFFIWWHMPNANE-VIFPVBQESA-N -1 3 273.340 1.764 10 0 CDAEHM O=C([O-])C1CN(CCC(=O)Nc2cccc(F)c2)C1 ZINC000071173625 176053472 /nfs/dbraw/zinc/05/34/72/176053472.db2.gz MNMLWBKUHHCXSY-UHFFFAOYSA-N -1 3 266.272 1.171 10 0 CDAEHM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(N)ccc1F ZINC000071206083 176080016 /nfs/dbraw/zinc/08/00/16/176080016.db2.gz QMTCYIUHACKYKE-KWQFWETISA-N -1 3 272.345 1.875 10 0 CDAEHM CN1CCCC[C@@H]1CNCc1ccc(C(=O)[O-])o1 ZINC000071396209 176150044 /nfs/dbraw/zinc/15/00/44/176150044.db2.gz TVSAWLGVUNWLCC-SNVBAGLBSA-N -1 3 252.314 1.552 10 0 CDAEHM CCOC(=O)Nc1cccc([C@@H]2NC(=O)[N-]C2=O)c1 ZINC000074794938 176615485 /nfs/dbraw/zinc/61/54/85/176615485.db2.gz PFHPLALRRJYAOF-VIFPVBQESA-N -1 3 263.253 1.136 10 0 CDAEHM CCN1CCN(C[C@@H](CC(=O)[O-])c2ccc[nH]2)CC1 ZINC000076681411 177058837 /nfs/dbraw/zinc/05/88/37/177058837.db2.gz NMZVSKBQGPTHPW-GFCCVEGCSA-N -1 3 265.357 1.211 10 0 CDAEHM C[C@@H]1CC(C(=O)Nc2ncccc2[O-])C[C@@H](C)O1 ZINC000092103839 260266883 /nfs/dbraw/zinc/26/68/83/260266883.db2.gz FIGINMPCJSVWCI-RKDXNWHRSA-N -1 3 250.298 1.929 10 0 CDAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCO2)s1 ZINC000175736794 261243519 /nfs/dbraw/zinc/24/35/19/261243519.db2.gz UAEVKEZZBSXCOT-XCBNKYQSSA-N -1 3 290.410 1.606 10 0 CDAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@H]1CCCCO1 ZINC000525967640 262358629 /nfs/dbraw/zinc/35/86/29/262358629.db2.gz XDUHQVUEBCBLJV-WDEREUQCSA-N -1 3 265.313 1.191 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3CC[C@@H]2O3)o1 ZINC000651830795 423786188 /nfs/dbraw/zinc/78/61/88/423786188.db2.gz NOKNTWISGHZIJV-BBBLOLIVSA-N -1 3 257.311 1.186 10 0 CDAEHM CSc1ccc([O-])c(C(=O)N2CCNC[C@](C)(F)C2)c1 ZINC000662568817 424181828 /nfs/dbraw/zinc/18/18/28/424181828.db2.gz VHFZACIENMWKRZ-AWEZNQCLSA-N -1 3 298.383 1.888 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN3CCCC[C@@H]23)o1 ZINC000655667859 424336315 /nfs/dbraw/zinc/33/63/15/424336315.db2.gz JYNARJQMQFPNOR-OLZOCXBDSA-N -1 3 298.408 1.883 10 0 CDAEHM CN(CCN1CCCCC1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000653334642 424636270 /nfs/dbraw/zinc/63/62/70/424636270.db2.gz DCOHLHLSFKZYBW-OLZOCXBDSA-N -1 3 282.384 1.432 10 0 CDAEHM C[C@@H](C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1)C1CCCC1 ZINC000651978430 424606768 /nfs/dbraw/zinc/60/67/68/424606768.db2.gz KTGRIMDCJSTXDP-ZYHUDNBSSA-N -1 3 291.399 1.717 10 0 CDAEHM COc1ccc(C(=O)N[C@@](C)(CO)C(C)C)c([O-])c1 ZINC000398449137 270354892 /nfs/dbraw/zinc/35/48/92/270354892.db2.gz ARWZCNMMAMZGLP-AWEZNQCLSA-N -1 3 267.325 1.538 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2C[C@@H](O)CC[C@@H]2C)c1 ZINC000399240480 270371920 /nfs/dbraw/zinc/37/19/20/270371920.db2.gz INKGVZHLVSUXOT-UWVGGRQHSA-N -1 3 265.309 1.386 10 0 CDAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@H]1CCCOC1 ZINC000525967031 270628769 /nfs/dbraw/zinc/62/87/69/270628769.db2.gz LXNVHCZBLWMKMG-GXSJLCMTSA-N -1 3 265.313 1.048 10 0 CDAEHM COC(C)(C)CS(=O)(=O)[N-][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528543899 270836013 /nfs/dbraw/zinc/83/60/13/270836013.db2.gz IUIDLYWLBWIBGK-ZNSHCXBVSA-N -1 3 279.402 1.143 10 0 CDAEHM COc1cc(C(=O)NCC[C@H]2CCCOC2)ccc1[O-] ZINC000529602613 271002117 /nfs/dbraw/zinc/00/21/17/271002117.db2.gz XXJNPCOTPMXHJL-LLVKDONJSA-N -1 3 279.336 1.947 10 0 CDAEHM CCc1ccc(C(=O)NC[C@@H](O)[C@H]2CCCO2)c([O-])c1 ZINC000529770760 271033947 /nfs/dbraw/zinc/03/39/47/271033947.db2.gz OQJGNFVDXJAZIN-ZIAGYGMSSA-N -1 3 279.336 1.224 10 0 CDAEHM O=C(N[C@@H](c1ccccn1)C1CCC1)c1c[n-]nn1 ZINC000529825036 271048048 /nfs/dbraw/zinc/04/80/48/271048048.db2.gz IRQDUDJSUNJRME-GFCCVEGCSA-N -1 3 257.297 1.471 10 0 CDAEHM O=C(N[C@@H](c1ccccn1)C1CCC1)c1cnn[n-]1 ZINC000529825036 271048052 /nfs/dbraw/zinc/04/80/52/271048052.db2.gz IRQDUDJSUNJRME-GFCCVEGCSA-N -1 3 257.297 1.471 10 0 CDAEHM O=C(N[C@@H](c1ccccn1)C1CCC1)c1cn[n-]n1 ZINC000529825036 271048055 /nfs/dbraw/zinc/04/80/55/271048055.db2.gz IRQDUDJSUNJRME-GFCCVEGCSA-N -1 3 257.297 1.471 10 0 CDAEHM CO[C@@H]1CC[C@H](NC(=O)c2c([O-])cccc2O)C1 ZINC000231805855 280120319 /nfs/dbraw/zinc/12/03/19/280120319.db2.gz MAVGDCWDWQLFNB-DTWKUNHWSA-N -1 3 251.282 1.395 10 0 CDAEHM CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(F)cc2[O-])C1 ZINC000246280795 280269570 /nfs/dbraw/zinc/26/95/70/280269570.db2.gz NNDFUKHLQWMAQG-GXFFZTMASA-N -1 3 280.343 1.990 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)c1 ZINC000531750708 281831076 /nfs/dbraw/zinc/83/10/76/281831076.db2.gz MEVWJEWLTYCOTA-LLVKDONJSA-N -1 3 299.396 1.283 10 0 CDAEHM O=C(Nc1ccc([O-])cc1F)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000541170718 289485403 /nfs/dbraw/zinc/48/54/03/289485403.db2.gz UTXOYNUUUVNHBH-PBINXNQUSA-N -1 3 293.294 1.712 10 0 CDAEHM COc1cc(=NC(=O)c2cnc(C)nc2C2CC2)[n-]n1C ZINC000546004624 289712117 /nfs/dbraw/zinc/71/21/17/289712117.db2.gz KOJZPTHJRNGZIX-UHFFFAOYSA-N -1 3 287.323 1.079 10 0 CDAEHM CCS[C@@H]1CCC[C@@H]1NC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000548165628 289852888 /nfs/dbraw/zinc/85/28/88/289852888.db2.gz JTHDFEBIYIADEQ-VHSXEESVSA-N -1 3 298.412 1.646 10 0 CDAEHM C[C@H]1COCC[C@H]1NC(=O)N=c1cc2ccccn2[n-]1 ZINC000554411706 290157843 /nfs/dbraw/zinc/15/78/43/290157843.db2.gz DAVBBBWMDNBHPZ-CMPLNLGQSA-N -1 3 274.324 1.303 10 0 CDAEHM C[C@@H]1CC[C@@H]1NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000560808699 293034486 /nfs/dbraw/zinc/03/44/86/293034486.db2.gz HSFYNFRRHDDBPO-SKDRFNHKSA-N -1 3 262.309 1.037 10 0 CDAEHM Cn1c(=O)[nH]cc(C(=O)Nc2c([O-])cccc2Cl)c1=O ZINC000560821396 293035540 /nfs/dbraw/zinc/03/55/40/293035540.db2.gz FMLFGXRSCOODDE-UHFFFAOYSA-N -1 3 295.682 1.097 10 0 CDAEHM Cc1co[n-]c1=NC(=O)c1oc(CC2CC2)nc1C ZINC000562306743 293131521 /nfs/dbraw/zinc/13/15/21/293131521.db2.gz YLPUEIRKYGMGKS-UHFFFAOYSA-N -1 3 261.281 1.906 10 0 CDAEHM COC(=O)c1nsc([N-]C(=O)c2nc(C)sc2C)n1 ZINC000562323114 293135197 /nfs/dbraw/zinc/13/51/97/293135197.db2.gz PVGXLAFOHXCPSR-UHFFFAOYSA-N -1 3 298.349 1.650 10 0 CDAEHM CCCCCNC(=O)CN1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000563123169 293282250 /nfs/dbraw/zinc/28/22/50/293282250.db2.gz CIUJQWDAOXHZSK-RYUDHWBXSA-N -1 3 270.373 1.335 10 0 CDAEHM O=C([O-])COCCN1CCC(C2CCOCC2)CC1 ZINC000568066062 293943426 /nfs/dbraw/zinc/94/34/26/293943426.db2.gz OJZMTHCOUVSQKK-UHFFFAOYSA-N -1 3 271.357 1.226 10 0 CDAEHM CC(C)CCNC(=O)[C@H](C)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000568510691 294049837 /nfs/dbraw/zinc/04/98/37/294049837.db2.gz BLTXTHGQRIWWQR-RWMBFGLXSA-N -1 3 284.400 1.580 10 0 CDAEHM CC(C)Cn1nccc1C(=O)NCc1ncccc1[O-] ZINC000568866954 294113804 /nfs/dbraw/zinc/11/38/04/294113804.db2.gz FFLNQCVCKLXEDB-UHFFFAOYSA-N -1 3 274.324 1.570 10 0 CDAEHM CCc1ncc(C[N-]S(=O)(=O)c2cc(C)cnc2N)o1 ZINC000569190057 294171780 /nfs/dbraw/zinc/17/17/80/294171780.db2.gz PGIDMEGMFLLKLX-UHFFFAOYSA-N -1 3 296.352 1.001 10 0 CDAEHM CCC[C@H](C)[C@H](CO)NC(=O)c1cccc2nn[n-]c21 ZINC000570935644 294336978 /nfs/dbraw/zinc/33/69/78/294336978.db2.gz ZFKBCSQOKSRKJC-CABZTGNLSA-N -1 3 276.340 1.485 10 0 CDAEHM CCC[C@H](C)[C@H](CO)NC(=O)c1cccc2[n-]nnc21 ZINC000570935644 294336979 /nfs/dbraw/zinc/33/69/79/294336979.db2.gz ZFKBCSQOKSRKJC-CABZTGNLSA-N -1 3 276.340 1.485 10 0 CDAEHM CCC[C@H](C)[C@H](CO)NC(=O)c1cccc2n[n-]nc21 ZINC000570935644 294336980 /nfs/dbraw/zinc/33/69/80/294336980.db2.gz ZFKBCSQOKSRKJC-CABZTGNLSA-N -1 3 276.340 1.485 10 0 CDAEHM O=C(Cc1cncc([O-])c1)NCC1(CF)CCOCC1 ZINC000572780373 294690762 /nfs/dbraw/zinc/69/07/62/294690762.db2.gz IKNVDUQBHAWOKO-UHFFFAOYSA-N -1 3 282.315 1.212 10 0 CDAEHM CCN(CCc1nccs1)C(=O)Cc1cncc([O-])c1 ZINC000574771579 295052971 /nfs/dbraw/zinc/05/29/71/295052971.db2.gz UXRDUVFZHLAIMH-UHFFFAOYSA-N -1 3 291.376 1.877 10 0 CDAEHM COc1cccc(C(=O)N2CCOC[C@@H]2C2CC2)c1[O-] ZINC000089973298 295285299 /nfs/dbraw/zinc/28/52/99/295285299.db2.gz WITKWVWAONVBBC-GFCCVEGCSA-N -1 3 277.320 1.652 10 0 CDAEHM C[C@@]1(c2nc(-c3ccc4n[n-]nc4c3)no2)CCC(=O)NC1 ZINC000350478002 316166827 /nfs/dbraw/zinc/16/68/27/316166827.db2.gz GOECTKAXWNZPKY-CQSZACIVSA-N -1 3 298.306 1.176 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000563357174 316267889 /nfs/dbraw/zinc/26/78/89/316267889.db2.gz HOXCPEQKVSTZRV-YIZRAAEISA-N -1 3 263.297 1.571 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000563357174 316267894 /nfs/dbraw/zinc/26/78/94/316267894.db2.gz HOXCPEQKVSTZRV-YIZRAAEISA-N -1 3 263.297 1.571 10 0 CDAEHM CC[C@@H](C)CS(=O)(=O)[N-][C@H](C[C@@H](C)CC)C(=O)OC ZINC000578189380 317486142 /nfs/dbraw/zinc/48/61/42/317486142.db2.gz OUUCEWKJZGMSSE-QJPTWQEYSA-N -1 3 293.429 1.930 10 0 CDAEHM COc1cc(=NC(=O)N[C@H](C)C2CCCCC2)[n-]n1C ZINC000580144679 324376722 /nfs/dbraw/zinc/37/67/22/324376722.db2.gz DEJOIEWBDKWASA-SNVBAGLBSA-N -1 3 280.372 1.941 10 0 CDAEHM C[C@@H](O)[C@@H]([N-]S(=O)(=O)CCCF)c1ccccc1F ZINC000580777725 324559075 /nfs/dbraw/zinc/55/90/75/324559075.db2.gz FKZHZVXOOBBHTD-BXKDBHETSA-N -1 3 293.335 1.527 10 0 CDAEHM COc1ccc(NC(=O)[C@@H](O)C2CCC2)c([O-])c1 ZINC000451252171 482740916 /nfs/dbraw/zinc/74/09/16/482740916.db2.gz XGEFTEAEBRAZLB-LBPRGKRZSA-N -1 3 251.282 1.500 10 0 CDAEHM O=C(NCc1ncccc1[O-])[C@H]1Cc2cc(F)ccc2O1 ZINC000684351044 482768440 /nfs/dbraw/zinc/76/84/40/482768440.db2.gz 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/nfs/dbraw/zinc/15/43/12/483154312.db2.gz MFWMKFMNYMBZAC-ZWNOBZJWSA-N -1 3 294.326 1.329 10 0 CDAEHM CO[C@H]1CC[C@@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)C1 ZINC000667014369 483243128 /nfs/dbraw/zinc/24/31/28/483243128.db2.gz UVQBDXZEZOSZFY-RITPCOANSA-N -1 3 278.234 1.577 10 0 CDAEHM CO[C@H]1CC[C@@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)C1 ZINC000667014369 483243133 /nfs/dbraw/zinc/24/31/33/483243133.db2.gz UVQBDXZEZOSZFY-RITPCOANSA-N -1 3 278.234 1.577 10 0 CDAEHM O=C(NC1CC=CC1)c1cc(=O)c2ccccc2[n-]1 ZINC000675394354 483298324 /nfs/dbraw/zinc/29/83/24/483298324.db2.gz OQALHDDBOCUEAS-UHFFFAOYSA-N -1 3 254.289 1.977 10 0 CDAEHM O=C(c1c([O-])cccc1O)N1CCC[C@@H](OC(F)F)C1 ZINC000679726016 483430583 /nfs/dbraw/zinc/43/05/83/483430583.db2.gz KMFQJGKVSIWKKE-MRVPVSSYSA-N -1 3 287.262 1.942 10 0 CDAEHM Cc1ccc2c(n1)[n-]cc(C(=O)NCCN1CCC1)c2=O ZINC000677001118 483660338 /nfs/dbraw/zinc/66/03/38/483660338.db2.gz CJPWYOGCRLKIAW-UHFFFAOYSA-N -1 3 286.335 1.079 10 0 CDAEHM Cc1ccc2c([O-])c(C(=O)NCCN3CCC3)cnc2n1 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CC[C@H](OC1CCCCC1)C(=O)Nc1nc(OC)n[n-]1 ZINC000179702069 536033398 /nfs/dbraw/zinc/03/33/98/536033398.db2.gz LRGSTJFWMJUXAN-JTQLQIEISA-N -1 3 282.344 1.880 10 0 CDAEHM CC[C@H](OC1CCCCC1)C(=O)Nc1n[n-]c(OC)n1 ZINC000179702069 536033392 /nfs/dbraw/zinc/03/33/92/536033392.db2.gz LRGSTJFWMJUXAN-JTQLQIEISA-N -1 3 282.344 1.880 10 0 CDAEHM CC(C)(C)C(=O)C[N-]S(=O)(=O)CCCC(F)(F)F ZINC000213773237 518555817 /nfs/dbraw/zinc/55/58/17/518555817.db2.gz AOXXLCFXRNTYPR-UHFFFAOYSA-N -1 3 289.319 1.864 10 0 CDAEHM CC(C)(C)N(CCC(=O)[O-])C(=O)[C@H](CN)c1ccccc1 ZINC000061612527 518701425 /nfs/dbraw/zinc/70/14/25/518701425.db2.gz GDEQOZPKVAOCER-CYBMUJFWSA-N -1 3 292.379 1.831 10 0 CDAEHM CCN(C(=O)N1CCC[C@@H]1CN(C)C)C(C)(C)C(=O)[O-] ZINC000061654007 519946993 /nfs/dbraw/zinc/94/69/93/519946993.db2.gz CKTBDWKGUQINPK-LLVKDONJSA-N -1 3 285.388 1.318 10 0 CDAEHM CCN(C(=O)N[C@@H](C)CN1CCCC1)[C@@H](C)CC(=O)[O-] ZINC000061214102 519974885 /nfs/dbraw/zinc/97/48/85/519974885.db2.gz HEPQXOPEBIJWHE-RYUDHWBXSA-N -1 3 285.388 1.365 10 0 CDAEHM CCN(CC1CC1)S(=O)(=O)c1ccc([O-])cc1 ZINC000069238978 520965116 /nfs/dbraw/zinc/96/51/16/520965116.db2.gz YRXRLFDIXDINGN-UHFFFAOYSA-N -1 3 255.339 1.813 10 0 CDAEHM CCN(Cc1cc(=O)n2ccccc2n1)C[C@@H](C)C(=O)[O-] ZINC000061220643 521284597 /nfs/dbraw/zinc/28/45/97/521284597.db2.gz QBZNALSDMKTBFG-LLVKDONJSA-N -1 3 289.335 1.237 10 0 CDAEHM CCN1CCC[C@H](n2c(C)c(CC(=O)[O-])c(C)nc2=O)C1 ZINC000049223444 521651112 /nfs/dbraw/zinc/65/11/12/521651112.db2.gz KWWAIVRNROQKII-LBPRGKRZSA-N -1 3 293.367 1.144 10 0 CDAEHM CN(C)C[C@@H]1CCCN1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000061653942 521831952 /nfs/dbraw/zinc/83/19/52/521831952.db2.gz QPHYPGJYCGEAKV-BPCQOVAHSA-N -1 3 297.399 1.365 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000050927060 521943287 /nfs/dbraw/zinc/94/32/87/521943287.db2.gz APPCXMBHDZDRPV-GVXVVHGQSA-N -1 3 270.373 1.606 10 0 CDAEHM COCC1CCN(C[C@](N)(C(=O)[O-])c2ccccc2)CC1 ZINC000069507707 522936033 /nfs/dbraw/zinc/93/60/33/522936033.db2.gz 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OWPDOEZZRTVCQA-ZDUSSCGKSA-N -1 3 285.727 1.682 10 0 CDAEHM COc1ccc(NC(=O)c2nnc(N)[n-]2)cc1OC(F)F ZINC000055166390 524654121 /nfs/dbraw/zinc/65/41/21/524654121.db2.gz AMOZLQIEJOXINO-UHFFFAOYSA-N -1 3 299.237 1.249 10 0 CDAEHM COc1ccc(NC(=O)c2nc(N)n[n-]2)cc1OC(F)F ZINC000055166390 524654127 /nfs/dbraw/zinc/65/41/27/524654127.db2.gz AMOZLQIEJOXINO-UHFFFAOYSA-N -1 3 299.237 1.249 10 0 CDAEHM COc1ccc(NC(=O)c2n[n-]c(N)n2)cc1OC(F)F ZINC000055166390 524654136 /nfs/dbraw/zinc/65/41/36/524654136.db2.gz AMOZLQIEJOXINO-UHFFFAOYSA-N -1 3 299.237 1.249 10 0 CDAEHM COc1ccc([O-])c(C(=O)Nc2ccncc2N)c1 ZINC000062725849 524735473 /nfs/dbraw/zinc/73/54/73/524735473.db2.gz CTCPBQOGFXJIGC-UHFFFAOYSA-N -1 3 259.265 1.630 10 0 CDAEHM COc1nnc(NC(=O)c2[nH]c3ccccc3c2OC)[n-]1 ZINC000354563164 524958311 /nfs/dbraw/zinc/95/83/11/524958311.db2.gz JDPJSTKPCNZFMC-UHFFFAOYSA-N -1 3 287.279 1.556 10 0 CDAEHM COc1nc(NC(=O)c2[nH]c3ccccc3c2OC)n[n-]1 ZINC000354563164 524958322 /nfs/dbraw/zinc/95/83/22/524958322.db2.gz JDPJSTKPCNZFMC-UHFFFAOYSA-N -1 3 287.279 1.556 10 0 CDAEHM COc1n[n-]c(NC(=O)c2[nH]c3ccccc3c2OC)n1 ZINC000354563164 524958332 /nfs/dbraw/zinc/95/83/32/524958332.db2.gz JDPJSTKPCNZFMC-UHFFFAOYSA-N -1 3 287.279 1.556 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@H](C3CC3)C2)n1 ZINC000365667041 525346300 /nfs/dbraw/zinc/34/63/00/525346300.db2.gz DDEMMZHAYQYPGO-PWSUYJOCSA-N -1 3 263.341 1.662 10 0 CDAEHM CSCC[C@H](NC(=O)[C@@H](CN)c1ccccc1)C(=O)[O-] ZINC000061612412 525589434 /nfs/dbraw/zinc/58/94/34/525589434.db2.gz NTQBXNUNENYHKB-RYUDHWBXSA-N -1 3 296.392 1.051 10 0 CDAEHM COc1cccc(C(=O)NCc2cccc(N)c2)c1[O-] ZINC000052925816 525823463 /nfs/dbraw/zinc/82/34/63/525823463.db2.gz CUGGPWSKHGIHOZ-UHFFFAOYSA-N -1 3 272.304 1.913 10 0 CDAEHM O=C([O-])c1ccc(C(=O)N[C@@H]2CCN3CCC[C@H]23)s1 ZINC000049571989 526362911 /nfs/dbraw/zinc/36/29/11/526362911.db2.gz QATOQMHVGREXOK-RKDXNWHRSA-N -1 3 280.349 1.413 10 0 CDAEHM O=C([O-])c1nccnc1N1CCN(C2CCCC2)CC1 ZINC000054534478 526409138 /nfs/dbraw/zinc/40/91/38/526409138.db2.gz KMHRWDXDSOMKET-UHFFFAOYSA-N -1 3 276.340 1.239 10 0 CDAEHM NC(=O)c1ccccc1CN1CCC(CCC(=O)[O-])CC1 ZINC000050926245 527089325 /nfs/dbraw/zinc/08/93/25/527089325.db2.gz XITFCIPIFJIJCC-UHFFFAOYSA-N -1 3 290.363 1.862 10 0 CDAEHM Nc1nnc(C(=O)Nc2ccc(C(F)(F)F)cc2)[n-]1 ZINC000055164082 527545878 /nfs/dbraw/zinc/54/58/78/527545878.db2.gz YASHTDCMQMNLHL-UHFFFAOYSA-N -1 3 271.202 1.658 10 0 CDAEHM Nc1n[n-]c(C(=O)Nc2ccc(C(F)(F)F)cc2)n1 ZINC000055164082 527545884 /nfs/dbraw/zinc/54/58/84/527545884.db2.gz YASHTDCMQMNLHL-UHFFFAOYSA-N -1 3 271.202 1.658 10 0 CDAEHM Nc1nc(C(=O)Nc2ccc(C(F)(F)F)cc2)n[n-]1 ZINC000055164082 527545887 /nfs/dbraw/zinc/54/58/87/527545887.db2.gz YASHTDCMQMNLHL-UHFFFAOYSA-N -1 3 271.202 1.658 10 0 CDAEHM O=C([O-])CC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000050918875 527566755 /nfs/dbraw/zinc/56/67/55/527566755.db2.gz IZABLVZIYCEWPE-CYBMUJFWSA-N -1 3 276.336 1.414 10 0 CDAEHM O=C([O-])CN(C(=O)NCCN1CCCCC1)C1CCCC1 ZINC000049575784 527605256 /nfs/dbraw/zinc/60/52/56/527605256.db2.gz HUOLKCYPCJVNDJ-UHFFFAOYSA-N -1 3 297.399 1.511 10 0 CDAEHM CC[C@H](OC1CCCCC1)C(=O)Nc1nnc(OC)[n-]1 ZINC000179702069 536033388 /nfs/dbraw/zinc/03/33/88/536033388.db2.gz LRGSTJFWMJUXAN-JTQLQIEISA-N -1 3 282.344 1.880 10 0 CDAEHM COc1ccc2c(c1)CCCN2C(=O)[C@@H](N)CCC(=O)[O-] ZINC000085842342 536969456 /nfs/dbraw/zinc/96/94/56/536969456.db2.gz NZTRQTZOBPKQFR-LBPRGKRZSA-N -1 3 292.335 1.167 10 0 CDAEHM COc1ccc(NC(=O)Cn2nc(C)cc2C)c([O-])c1 ZINC000135414914 538883041 /nfs/dbraw/zinc/88/30/41/538883041.db2.gz UCJYJDNIVWTNTJ-UHFFFAOYSA-N -1 3 275.308 1.853 10 0 CDAEHM COCCO[N-]C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000748768822 574525087 /nfs/dbraw/zinc/52/50/87/574525087.db2.gz FUEGJBDQRIZERK-UHFFFAOYSA-N -1 3 293.241 1.822 10 0 CDAEHM CC/C(C)=C\C(=O)N[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001688124094 1174881533 /nfs/dbraw/zinc/88/15/33/1174881533.db2.gz SUCSWMJZCZAKNG-UCQJPZFISA-N -1 3 290.363 1.983 10 0 CDAEHM O=C(OCCc1ccccc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000732340022 575087845 /nfs/dbraw/zinc/08/78/45/575087845.db2.gz VGAPOMDYEPMPPG-UHFFFAOYSA-N -1 3 295.294 1.970 10 0 CDAEHM CC[C@@H](C)[C@@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)[O-] ZINC000040472353 574414772 /nfs/dbraw/zinc/41/47/72/574414772.db2.gz JWBLQDDHSDGEGR-RAIGVLPGSA-N -1 3 278.352 1.172 10 0 endogenous,in-man CDAEHM C[C@@H]1CCCN(S(=O)(=O)[N-]c2cnn(C)c2C2CC2)C1 ZINC000769871559 575393801 /nfs/dbraw/zinc/39/38/01/575393801.db2.gz ZXFIASORJXKWFF-SNVBAGLBSA-N -1 3 298.412 1.686 10 0 CDAEHM O=C(Nc1nc2cc[nH]cc-2n1)c1c([O-])cccc1O ZINC000770406635 575446458 /nfs/dbraw/zinc/44/64/58/575446458.db2.gz UWWQXORQJPSHHE-UHFFFAOYSA-N -1 3 270.248 1.621 10 0 CDAEHM CO[C@@H](C)CN(CC(=O)[N-]OCc1ccccc1)C(C)C ZINC000772188468 575670037 /nfs/dbraw/zinc/67/00/37/575670037.db2.gz QQFNYCXJYLAGBX-AWEZNQCLSA-N -1 3 294.395 1.980 10 0 CDAEHM Cc1ccc(C(=O)OCc2cc(=O)c([O-])co2)c(C)n1 ZINC000736795209 575748431 /nfs/dbraw/zinc/74/84/31/575748431.db2.gz MASHWPPJQKGPEY-UHFFFAOYSA-N -1 3 275.260 1.714 10 0 CDAEHM COc1cc(C)[nH]c(=N[N-]S(=O)(=O)c2ccc(C)o2)n1 ZINC000773229397 575793533 /nfs/dbraw/zinc/79/35/33/575793533.db2.gz AMRNGZRMNNPLMO-UHFFFAOYSA-N -1 3 298.324 1.000 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H](O)c2ccccc2)o1 ZINC000773315755 575801023 /nfs/dbraw/zinc/80/10/23/575801023.db2.gz YMTUFKRUDZCXNI-CYBMUJFWSA-N -1 3 295.360 1.990 10 0 CDAEHM CC[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)C(=O)OC ZINC000765850171 576060879 /nfs/dbraw/zinc/06/08/79/576060879.db2.gz BABCSBKZCRXRMQ-JTQLQIEISA-N -1 3 289.253 1.985 10 0 CDAEHM COC(=O)/C(C)=C/COC(=O)c1ccc([O-])cc1O ZINC000748157254 576897948 /nfs/dbraw/zinc/89/79/48/576897948.db2.gz JHUIPERDQCDDTJ-VMPITWQZSA-N -1 3 266.249 1.374 10 0 CDAEHM O=C(CCCn1cncn1)[N-]OCc1ccc(F)cc1 ZINC000754712464 576912023 /nfs/dbraw/zinc/91/20/23/576912023.db2.gz VATMDTQPGOJXNE-UHFFFAOYSA-N -1 3 278.287 1.445 10 0 CDAEHM CCOC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)CC1CC1 ZINC000751981604 577080134 /nfs/dbraw/zinc/08/01/34/577080134.db2.gz JFQQTLXNROFLLZ-LLVKDONJSA-N -1 3 275.370 1.048 10 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COc1cccc(CC(=O)Nc2ncccc2[O-])n1 ZINC000361861402 1184390007 /nfs/dbraw/zinc/39/00/07/1184390007.db2.gz AHPQGTDQEBININ-UHFFFAOYSA-N -1 3 259.265 1.372 10 0 CDAEHM C/C=C(/C)C(=O)N(C)C1CN(C(=O)c2ccccc2[O-])C1 ZINC001739378028 1184435671 /nfs/dbraw/zinc/43/56/71/1184435671.db2.gz PSRSYTSCRKLETA-WCIBSUBMSA-N -1 3 288.347 1.641 10 0 CDAEHM O=C([O-])[C@]12COC[C@H]1CN(Cc1cc(C3CC3)no1)C2 ZINC001771781504 1186870532 /nfs/dbraw/zinc/87/05/32/1186870532.db2.gz UNQUDNZOMBODSS-QMTHXVAHSA-N -1 3 278.308 1.085 10 0 CDAEHM CCc1ccc(C(=O)N(C)CCN(C)C(=O)OC)c([O-])c1 ZINC000855885617 1164468014 /nfs/dbraw/zinc/46/80/14/1164468014.db2.gz GYAHQCAVJLKHQC-UHFFFAOYSA-N -1 3 294.351 1.725 10 0 CDAEHM CC[C@H]1C[C@H](C(=O)N[N-]C(=O)c2ncccc2C)CCO1 ZINC000180526967 805096859 /nfs/dbraw/zinc/09/68/59/805096859.db2.gz FAOXOCBFUHHFKM-NEPJUHHUSA-N -1 3 291.351 1.356 10 0 CDAEHM Cc1ccc(/C=C/S(=O)(=O)[N-]c2cnnn2C)cc1 ZINC000808564880 805277567 /nfs/dbraw/zinc/27/75/67/805277567.db2.gz KXEVGHLNXPKHRT-BQYQJAHWSA-N -1 3 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c1cc2ccc(CN=c3ncnc4[nH][n-]cc3-4)nc2[nH]1 ZINC000356964514 366658238 /nfs/dbraw/zinc/65/82/38/366658238.db2.gz PLVOYIXDWJRLPD-UHFFFAOYSA-N -1 3 265.280 1.215 10 0 CDAEHM CN(C)C[C@@H](c1ccc(F)cc1)N1C[C@H](C(=O)[O-])CC1=O ZINC000011850304 360351813 /nfs/dbraw/zinc/35/18/13/360351813.db2.gz PZSUVGFIJZRTBU-YPMHNXCESA-N -1 3 294.326 1.362 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CCC[C@H]3COC[C@H]32)c1 ZINC000367048976 360494897 /nfs/dbraw/zinc/49/48/97/360494897.db2.gz AXMZZLWUEHIAES-GXFFZTMASA-N -1 3 277.320 1.652 10 0 CDAEHM C[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000287991565 360460284 /nfs/dbraw/zinc/46/02/84/360460284.db2.gz ZGBHFTGUWFFZEG-MUWHJKNJSA-N -1 3 294.735 1.330 10 0 CDAEHM CSc1nsc([N-]C(=O)c2cnnc(C)c2)n1 ZINC000348727413 360529543 /nfs/dbraw/zinc/52/95/43/360529543.db2.gz FVQKDHPFXYXDTF-UHFFFAOYSA-N -1 3 267.339 1.611 10 0 CDAEHM Cc1cnn(C)c1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000617277784 360652338 /nfs/dbraw/zinc/65/23/38/360652338.db2.gz QELYURYDCPYPDG-UHFFFAOYSA-N -1 3 273.296 1.354 10 0 CDAEHM CC[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(C)cc1 ZINC000348803178 360628809 /nfs/dbraw/zinc/62/88/09/360628809.db2.gz PUSLPHRBYJGPOI-GFCCVEGCSA-N -1 3 289.335 1.114 10 0 CDAEHM COc1cc2c(cc1C(=O)Nc1ncccc1[O-])OCO2 ZINC000354174615 360640710 /nfs/dbraw/zinc/64/07/10/360640710.db2.gz RBGQJXWWZBRLQQ-UHFFFAOYSA-N -1 3 288.259 1.777 10 0 CDAEHM O=C([O-])[C@@H]1CN(C[C@@H]2CCCCO2)C[C@H]1C(F)(F)F ZINC000635017255 360672564 /nfs/dbraw/zinc/67/25/64/360672564.db2.gz SKMPBNMBHZGBNI-IVZWLZJFSA-N -1 3 281.274 1.750 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)[n-]1 ZINC000179361953 189189166 /nfs/dbraw/zinc/18/91/66/189189166.db2.gz JHXBDGJRNPWTDA-HTQZYQBOSA-N -1 3 294.261 1.834 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)n[n-]1 ZINC000179361953 189189167 /nfs/dbraw/zinc/18/91/67/189189167.db2.gz JHXBDGJRNPWTDA-HTQZYQBOSA-N -1 3 294.261 1.834 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)n1 ZINC000179361953 189189168 /nfs/dbraw/zinc/18/91/68/189189168.db2.gz JHXBDGJRNPWTDA-HTQZYQBOSA-N -1 3 294.261 1.834 10 0 CDAEHM COc1nnc(NC(=O)CCO[C@@H](C)CC(C)C)[n-]1 ZINC000179374341 189190096 /nfs/dbraw/zinc/19/00/96/189190096.db2.gz PUAJIRPYZWJBHP-VIFPVBQESA-N -1 3 270.333 1.593 10 0 CDAEHM COc1nc(NC(=O)CCO[C@@H](C)CC(C)C)n[n-]1 ZINC000179374341 189190097 /nfs/dbraw/zinc/19/00/97/189190097.db2.gz PUAJIRPYZWJBHP-VIFPVBQESA-N -1 3 270.333 1.593 10 0 CDAEHM COc1n[n-]c(NC(=O)CCO[C@@H](C)CC(C)C)n1 ZINC000179374341 189190098 /nfs/dbraw/zinc/19/00/98/189190098.db2.gz PUAJIRPYZWJBHP-VIFPVBQESA-N -1 3 270.333 1.593 10 0 CDAEHM CCc1noc(C)c1CN=c1ncnc2[nH][n-]cc1-2 ZINC000338727831 360985844 /nfs/dbraw/zinc/98/58/44/360985844.db2.gz CUZYKPJJKDCDOG-UHFFFAOYSA-N -1 3 258.285 1.197 10 0 CDAEHM CN(C)c1nc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc(=O)[n-]1 ZINC000338769759 361017597 /nfs/dbraw/zinc/01/75/97/361017597.db2.gz PKCVXQXEJPPTCW-VXGBXAGGSA-N -1 3 298.346 1.534 10 0 CDAEHM CC1(C)CCC[C@H]1CN=c1[n-]c(C(N)=O)cs1 ZINC000338812376 361055350 /nfs/dbraw/zinc/05/53/50/361055350.db2.gz RIBSAEGLGIXANX-QMMMGPOBSA-N -1 3 253.371 1.902 10 0 CDAEHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCOC[C@H]2C)s1 ZINC000432327207 361144774 /nfs/dbraw/zinc/14/47/74/361144774.db2.gz GCLLLNJIXOZKFX-RKDXNWHRSA-N -1 3 290.410 1.409 10 0 CDAEHM NC(=O)c1csc(=NCCC[C@@H]2CCCC[C@@H]2O)[n-]1 ZINC000432342985 361149631 /nfs/dbraw/zinc/14/96/31/361149631.db2.gz PVWZAGIADMJOHG-ONGXEEELSA-N -1 3 283.397 1.407 10 0 CDAEHM CCC[C@@H](C[N-]S(=O)(=O)c1cscn1)OC ZINC000645740766 361199626 /nfs/dbraw/zinc/19/96/26/361199626.db2.gz UQRIPXOSDLIZRR-QMMMGPOBSA-N -1 3 264.372 1.237 10 0 CDAEHM CCC[C@H](C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1)C(C)C ZINC000565092940 361260213 /nfs/dbraw/zinc/26/02/13/361260213.db2.gz LXWCZXKYCYLAEX-RYUDHWBXSA-N -1 3 293.415 1.963 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2cc[nH]n2)c1 ZINC000339163180 361318583 /nfs/dbraw/zinc/31/85/83/361318583.db2.gz ARYUPAVCQJRQIA-UHFFFAOYSA-N -1 3 288.307 1.346 10 0 CDAEHM CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1ccccc1F ZINC000528483673 361322388 /nfs/dbraw/zinc/32/23/88/361322388.db2.gz CDYNNDIGZWRLIW-TVQRCGJNSA-N -1 3 285.340 1.672 10 0 CDAEHM C[C@@H](Sc1n[n-]c(CO)n1)C(=O)c1cc(F)ccc1F ZINC000562438097 361441634 /nfs/dbraw/zinc/44/16/34/361441634.db2.gz FWEQGTTXVSJXIK-ZCFIWIBFSA-N -1 3 299.302 1.939 10 0 CDAEHM CCN(Cc1cn(C)nn1)C(=O)c1ccc([O-])c(C)c1 ZINC000436722048 361564449 /nfs/dbraw/zinc/56/44/49/361564449.db2.gz MWKZPQQLWUVQKJ-UHFFFAOYSA-N -1 3 274.324 1.491 10 0 CDAEHM CCc1noc(C)c1[N-]C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC000339509277 361571554 /nfs/dbraw/zinc/57/15/54/361571554.db2.gz JBKAYHQDQDHSMH-UHFFFAOYSA-N -1 3 287.279 1.775 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000629136498 361607396 /nfs/dbraw/zinc/60/73/96/361607396.db2.gz ARWOAXBZUUDLBY-IINYFYTJSA-N -1 3 277.320 1.698 10 0 CDAEHM O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1cccc2nn[n-]c21 ZINC000629124552 361581104 /nfs/dbraw/zinc/58/11/04/361581104.db2.gz CZQKQPZLXZCPCM-JOYOIKCWSA-N -1 3 272.308 1.255 10 0 CDAEHM O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1cccc2[n-]nnc21 ZINC000629124552 361581109 /nfs/dbraw/zinc/58/11/09/361581109.db2.gz CZQKQPZLXZCPCM-JOYOIKCWSA-N -1 3 272.308 1.255 10 0 CDAEHM O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1cccc2n[n-]nc21 ZINC000629124552 361581113 /nfs/dbraw/zinc/58/11/13/361581113.db2.gz CZQKQPZLXZCPCM-JOYOIKCWSA-N -1 3 272.308 1.255 10 0 CDAEHM CCN(CC)CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000248533784 361584445 /nfs/dbraw/zinc/58/44/45/361584445.db2.gz IUPJKUXDWUQUIP-XQQFMLRXSA-N -1 3 282.384 1.573 10 0 CDAEHM CCOC(=O)c1ccc(NC(=O)c2ccnnc2)c([O-])c1 ZINC000339693716 361709329 /nfs/dbraw/zinc/70/93/29/361709329.db2.gz JVLBUYNFNWQENI-UHFFFAOYSA-N -1 3 287.275 1.611 10 0 CDAEHM Cc1ccc([O-])c(CN[C@@](C)(CO)c2cccc(O)c2)n1 ZINC000628374096 363899590 /nfs/dbraw/zinc/89/95/90/363899590.db2.gz VGCHEBSMPJSIPY-INIZCTEOSA-N -1 3 288.347 1.799 10 0 CDAEHM Cc1ccc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C)c([O-])c1 ZINC000282217568 363989434 /nfs/dbraw/zinc/98/94/34/363989434.db2.gz UGDRWNPKBZGOAI-MWLCHTKSSA-N -1 3 262.309 1.098 10 0 CDAEHM CC1(C)CC(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)C1 ZINC000575148915 364248056 /nfs/dbraw/zinc/24/80/56/364248056.db2.gz OLWAHYWHOOTLGV-UHFFFAOYSA-N -1 3 277.328 1.072 10 0 CDAEHM CC1(C)CC(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)C1 ZINC000575148915 364248066 /nfs/dbraw/zinc/24/80/66/364248066.db2.gz OLWAHYWHOOTLGV-UHFFFAOYSA-N -1 3 277.328 1.072 10 0 CDAEHM CC1(C)CC(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)C1 ZINC000575148915 364248073 /nfs/dbraw/zinc/24/80/73/364248073.db2.gz OLWAHYWHOOTLGV-UHFFFAOYSA-N -1 3 277.328 1.072 10 0 CDAEHM O=c1[n-]cnc2c1CN(c1ncnc3c(F)cccc31)CC2 ZINC000302867578 364588591 /nfs/dbraw/zinc/58/85/91/364588591.db2.gz ZOYGBYJHYOEJHA-UHFFFAOYSA-N -1 3 297.293 1.827 10 0 CDAEHM NC(=O)c1coc(CNCc2c(F)ccc([O-])c2F)c1 ZINC000352978239 364690994 /nfs/dbraw/zinc/69/09/94/364690994.db2.gz UUUMSPACAQUOKT-UHFFFAOYSA-N -1 3 282.246 1.652 10 0 CDAEHM Cc1ccc(C(=O)C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1 ZINC000352994932 364701143 /nfs/dbraw/zinc/70/11/43/364701143.db2.gz ZJHKSEAMUGPISO-CYBMUJFWSA-N -1 3 299.330 1.813 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CCC2CC(F)(F)C2)c1 ZINC000563944356 364775747 /nfs/dbraw/zinc/77/57/47/364775747.db2.gz HFZVUABPKRFEBB-UHFFFAOYSA-N -1 3 293.339 1.617 10 0 CDAEHM CCN1CC[C@@H](N=c2nc([C@H](C)OC)[n-]s2)C1 ZINC000389484848 364917911 /nfs/dbraw/zinc/91/79/11/364917911.db2.gz YHBDLQQYOQTFEV-DTWKUNHWSA-N -1 3 256.375 1.174 10 0 CDAEHM CCN1CC[C@@H](N=c2[n-]c([C@H](C)OC)ns2)C1 ZINC000389484848 364917917 /nfs/dbraw/zinc/91/79/17/364917917.db2.gz YHBDLQQYOQTFEV-DTWKUNHWSA-N -1 3 256.375 1.174 10 0 CDAEHM O=C(NCc1cccc(O)c1)NCc1ncccc1[O-] ZINC000471686999 364952567 /nfs/dbraw/zinc/95/25/67/364952567.db2.gz VKWGBTMVUFOGHJ-UHFFFAOYSA-N -1 3 273.292 1.492 10 0 CDAEHM C[C@H](CNC(=O)NCc1ncccc1[O-])Cn1cccn1 ZINC000471717812 364961299 /nfs/dbraw/zinc/96/12/99/364961299.db2.gz RECOQCRHYIGKQC-LLVKDONJSA-N -1 3 289.339 1.119 10 0 CDAEHM Cc1ccc([C@H](NCc2cnn(C)c2)C(=O)[O-])cc1 ZINC000354358329 365430422 /nfs/dbraw/zinc/43/04/22/365430422.db2.gz RTVNFEMGTPJERD-ZDUSSCGKSA-N -1 3 259.309 1.644 10 0 CDAEHM COCCO[C@H]1CCN(Cc2nc(C)ccc2[O-])C1 ZINC000275800496 193132126 /nfs/dbraw/zinc/13/21/26/193132126.db2.gz CLNWJTCCPBQSMK-LBPRGKRZSA-N -1 3 266.341 1.333 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N(C[C@H]2CCC(=O)N2)C(C)C)c1 ZINC000414018928 241027220 /nfs/dbraw/zinc/02/72/20/241027220.db2.gz PLXOHVXPXQYVSO-GFCCVEGCSA-N -1 3 290.363 1.830 10 0 CDAEHM C[C@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@H]1CO ZINC000226339068 367366803 /nfs/dbraw/zinc/36/68/03/367366803.db2.gz VEXOMFGPMZZTCG-HZMBPMFUSA-N -1 3 286.331 1.371 10 0 CDAEHM COC1([C@H](C)[N-]S(=O)(=O)Cc2cc(C)on2)CCC1 ZINC000416622584 242076293 /nfs/dbraw/zinc/07/62/93/242076293.db2.gz WELWYEKUIWONFX-JTQLQIEISA-N -1 3 288.369 1.360 10 0 CDAEHM CCCn1cc(CN2CCC(C)(C(=O)[O-])CC2)cn1 ZINC000233420914 482928487 /nfs/dbraw/zinc/92/84/87/482928487.db2.gz TYUXIJJSBBYTEC-UHFFFAOYSA-N -1 3 265.357 1.980 10 0 CDAEHM CCOCCCC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358465531 367702576 /nfs/dbraw/zinc/70/25/76/367702576.db2.gz PUIFJVNELZWYKL-UHFFFAOYSA-N -1 3 261.343 1.683 10 0 CDAEHM Cc1nn(C(C)C)cc1CN[C@@]1(C(=O)[O-])CCOC1 ZINC000417566480 242539516 /nfs/dbraw/zinc/53/95/16/242539516.db2.gz MJKXRYXUKGPTCL-ZDUSSCGKSA-N -1 3 267.329 1.106 10 0 CDAEHM C[C@@H]1CN(C(=O)c2c([O-])cccc2O)C[C@@H](C)O1 ZINC000125547579 368233630 /nfs/dbraw/zinc/23/36/30/368233630.db2.gz CKOYGDMCHJFYRY-RKDXNWHRSA-N -1 3 251.282 1.347 10 0 CDAEHM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2cn(C)cn2)o1 ZINC000360877206 368533038 /nfs/dbraw/zinc/53/30/38/368533038.db2.gz DUPFTUJDNQMWPO-JTQLQIEISA-N -1 3 297.380 1.621 10 0 CDAEHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1(CF)CCC1 ZINC000567168159 370900148 /nfs/dbraw/zinc/90/01/48/370900148.db2.gz DKIOTCJVQOPUDA-UHFFFAOYSA-N -1 3 266.198 1.902 10 0 CDAEHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1(CF)CCC1 ZINC000567168159 370900151 /nfs/dbraw/zinc/90/01/51/370900151.db2.gz DKIOTCJVQOPUDA-UHFFFAOYSA-N -1 3 266.198 1.902 10 0 CDAEHM Cn1cnnc1[N-]C(=O)c1cc(-c2cccnc2)on1 ZINC000361333458 368756590 /nfs/dbraw/zinc/75/65/90/368756590.db2.gz AONNQUJYTRXHDN-UHFFFAOYSA-N -1 3 270.252 1.117 10 0 CDAEHM CCc1cnc(S(=O)(=O)CC[C@H]2CCCCO2)[n-]1 ZINC000542690037 368808310 /nfs/dbraw/zinc/80/83/10/368808310.db2.gz AYMPDVFNMLBOTH-LLVKDONJSA-N -1 3 272.370 1.705 10 0 CDAEHM CCc1c[n-]c(S(=O)(=O)CC[C@H]2CCCCO2)n1 ZINC000542690037 368808316 /nfs/dbraw/zinc/80/83/16/368808316.db2.gz AYMPDVFNMLBOTH-LLVKDONJSA-N -1 3 272.370 1.705 10 0 CDAEHM CON1CCC(C(=O)Nc2ccc(C)cc2[O-])CC1 ZINC000630439543 368974461 /nfs/dbraw/zinc/97/44/61/368974461.db2.gz USTWKFAJATUVLI-UHFFFAOYSA-N -1 3 264.325 1.913 10 0 CDAEHM CCCN(C)S(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC000361775729 369035883 /nfs/dbraw/zinc/03/58/83/369035883.db2.gz HXFAPMQVWIRLBK-UHFFFAOYSA-N -1 3 268.289 1.277 10 0 CDAEHM CC[C@@H](CO)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000287067705 369077991 /nfs/dbraw/zinc/07/79/91/369077991.db2.gz XHELWOITVXYOFB-ZETCQYMHSA-N -1 3 298.286 1.150 10 0 CDAEHM CCCC[C@@H]1CCC[C@@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000330690298 203120271 /nfs/dbraw/zinc/12/02/71/203120271.db2.gz FPSAWQHNGKFMFU-MNOVXSKESA-N -1 3 281.356 1.013 10 0 CDAEHM CC(C)(CF)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000545320384 369202476 /nfs/dbraw/zinc/20/24/76/369202476.db2.gz RTYQVWDHVQMQSO-UHFFFAOYSA-N -1 3 289.357 1.718 10 0 CDAEHM CC[C@@H]1CCN1C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000294156394 370968774 /nfs/dbraw/zinc/96/87/74/370968774.db2.gz VKXQQIPZALKWHX-GFCCVEGCSA-N -1 3 290.363 1.831 10 0 CDAEHM CC[C@H]1CCCC[C@H]1NC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000547515119 369575834 /nfs/dbraw/zinc/57/58/34/369575834.db2.gz ILOHILVFRLFVTJ-WDEREUQCSA-N -1 3 280.372 1.941 10 0 CDAEHM COc1cc(=NC(=O)NCc2ccc(OC)cc2)[n-]n1C ZINC000547520179 369577828 /nfs/dbraw/zinc/57/78/28/369577828.db2.gz ZPLLAOIUIVFBGB-UHFFFAOYSA-N -1 3 290.323 1.181 10 0 CDAEHM CCCC1(CNC(=O)N=c2cc(OC)n(C)[n-]2)CC1 ZINC000548167698 369777347 /nfs/dbraw/zinc/77/73/47/369777347.db2.gz JBSOBHQDGWYMNK-UHFFFAOYSA-N -1 3 266.345 1.552 10 0 CDAEHM CC[C@H]1CCCC[C@@H]1OCC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000548472474 369870241 /nfs/dbraw/zinc/87/02/41/369870241.db2.gz RGIJZRFCQKANDT-RYUDHWBXSA-N -1 3 295.383 1.775 10 0 CDAEHM COc1cc(=NC(=O)N(C)[C@H]2CCC[C@@H](C)C2)[n-]n1C ZINC000548494272 369877039 /nfs/dbraw/zinc/87/70/39/369877039.db2.gz PSGPTYOLZCDGNE-MNOVXSKESA-N -1 3 280.372 1.893 10 0 CDAEHM CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000565095453 370350847 /nfs/dbraw/zinc/35/08/47/370350847.db2.gz YFIVDYIXSQBKIE-MXWKQRLJSA-N -1 3 277.372 1.327 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)N1CC[C@]12CCOC2 ZINC000422239456 245051715 /nfs/dbraw/zinc/05/17/15/245051715.db2.gz SYTCVHBLKWBORE-CQSZACIVSA-N -1 3 280.299 1.606 10 0 CDAEHM COc1cccc([C@@H]2CCCN2CCOCC(=O)[O-])c1 ZINC000565837753 370547812 /nfs/dbraw/zinc/54/78/12/370547812.db2.gz GMSBLQXRIVDBNO-AWEZNQCLSA-N -1 3 279.336 1.933 10 0 CDAEHM CO[C@H]1CCCC[C@H]1C(=O)Nc1ncccc1[O-] ZINC000293339228 370597969 /nfs/dbraw/zinc/59/79/69/370597969.db2.gz BGIPWEVWMSAIPD-KOLCDFICSA-N -1 3 250.298 1.931 10 0 CDAEHM CCC[C@]1([N-]S(=O)(=O)c2cscn2)CCOC1 ZINC000567774676 371143052 /nfs/dbraw/zinc/14/30/52/371143052.db2.gz PQCHPTVSNGBAIW-JTQLQIEISA-N -1 3 276.383 1.381 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)c1cc2c([nH]1)CCOC2 ZINC000572698302 371276708 /nfs/dbraw/zinc/27/67/08/371276708.db2.gz SREJCIUZVSDYPD-UHFFFAOYSA-N -1 3 290.294 1.862 10 0 CDAEHM COc1cccc(C(=O)N2CC3(C2)CCCOC3)c1[O-] ZINC000377172203 371461210 /nfs/dbraw/zinc/46/12/10/371461210.db2.gz QFQDPXZBFIPWIF-UHFFFAOYSA-N -1 3 277.320 1.653 10 0 CDAEHM C[C@@H]1CC=C(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)CC1 ZINC000575187394 371771490 /nfs/dbraw/zinc/77/14/90/371771490.db2.gz LMLBDDPVAXWKQI-PWSUYJOCSA-N -1 3 289.383 1.638 10 0 CDAEHM COc1cccc(C(=O)N[C@@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000378119592 371831806 /nfs/dbraw/zinc/83/18/06/371831806.db2.gz VMHUZJUYWNVWFR-SNVBAGLBSA-N -1 3 287.319 1.411 10 0 CDAEHM C[C@@H]1CN(C(=O)Cc2cncc([O-])c2)[C@@H](C)[C@@H](C)O1 ZINC000577865473 372150292 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/nfs/dbraw/zinc/24/62/30/174246230.db2.gz UHUMFXHMRCPVCZ-CYBMUJFWSA-N -1 3 266.366 1.885 10 0 CDAEHM CCC[C@H](N)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000040469965 174278309 /nfs/dbraw/zinc/27/83/09/174278309.db2.gz BUDHSSJTTZLOJP-VIFPVBQESA-N -1 3 252.270 1.156 10 0 CDAEHM CC(C)C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000040469710 174278334 /nfs/dbraw/zinc/27/83/34/174278334.db2.gz GLADYVJSTRTQRN-UONOGXRCSA-N -1 3 290.363 1.398 10 0 CDAEHM CC(C)[C@@H](N)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000040470356 174278793 /nfs/dbraw/zinc/27/87/93/174278793.db2.gz VUSFKROZSHOBPN-LLVKDONJSA-N -1 3 250.298 1.331 10 0 CDAEHM CCCC[C@@H](N)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000040479619 174283578 /nfs/dbraw/zinc/28/35/78/174283578.db2.gz JVXVPOMUENXNEI-SNVBAGLBSA-N -1 3 256.346 1.408 10 0 CDAEHM Cc1ccc(NC(=O)[C@@H](N)C(C)C)c(C(=O)[O-])c1 ZINC000040480105 174284303 /nfs/dbraw/zinc/28/43/03/174284303.db2.gz PACUBBGWZVLDPM-NSHDSACASA-N -1 3 250.298 1.615 10 0 CDAEHM CC[C@H](C)[C@@H](N)C(=O)N1CCc2cc(C(=O)[O-])ccc21 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COC(=O)CN(C(=O)c1ccc([O-])cc1)C(C)C ZINC000042712525 174853257 /nfs/dbraw/zinc/85/32/57/174853257.db2.gz XKRKGSSPRFAUCZ-UHFFFAOYSA-N -1 3 251.282 1.416 10 0 CDAEHM CC[C@@H](N)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000043413711 175037623 /nfs/dbraw/zinc/03/76/23/175037623.db2.gz BSIWBDYGNVZPON-SNVBAGLBSA-N -1 3 256.346 1.265 10 0 CDAEHM CCc1nnc(SCC(=O)[O-])n1C[C@H]1CCCN(C)C1 ZINC000044538164 175199404 /nfs/dbraw/zinc/19/94/04/175199404.db2.gz FJPYGZKVXPVTIX-JTQLQIEISA-N -1 3 298.412 1.359 10 0 CDAEHM CC(C)NCC(=O)N1CCc2sccc2[C@H]1C(=O)[O-] ZINC000044592632 175213759 /nfs/dbraw/zinc/21/37/59/175213759.db2.gz OGTRCPHSENNCAH-LBPRGKRZSA-N -1 3 282.365 1.257 10 0 CDAEHM COc1ccc2c(c1)CCC[C@H]2NCc1nn[n-]n1 ZINC000044927345 175277996 /nfs/dbraw/zinc/27/79/96/175277996.db2.gz QYPQXTUPQUKWHX-GFCCVEGCSA-N -1 3 259.313 1.376 10 0 CDAEHM CC1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(CN)s1 ZINC000045138369 175314399 /nfs/dbraw/zinc/31/43/99/175314399.db2.gz QJPFOPSFAPSTAB-QMMMGPOBSA-N -1 3 260.384 1.284 10 0 CDAEHM C[C@H]1CCC[C@H](N(CC(=O)[O-])[C@@H]2CCS(=O)(=O)C2)C1 ZINC000071152790 176045785 /nfs/dbraw/zinc/04/57/85/176045785.db2.gz CBDSXZPIPFJOMD-SDDRHHMPSA-N -1 3 289.397 1.139 10 0 CDAEHM C[C@H]1CCC[C@@H](N(CC(=O)[O-])[C@@H]2CCS(=O)(=O)C2)C1 ZINC000071152792 176045869 /nfs/dbraw/zinc/04/58/69/176045869.db2.gz CBDSXZPIPFJOMD-QJPTWQEYSA-N -1 3 289.397 1.139 10 0 CDAEHM CCCc1cc(=O)[n-]c(Sc2cnc(C(=N)N)cn2)n1 ZINC000071180540 176056586 /nfs/dbraw/zinc/05/65/86/176056586.db2.gz SPUMFUHYRDYAHP-UHFFFAOYSA-N -1 3 290.352 1.360 10 0 CDAEHM NNc1ccncc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000071220073 176086626 /nfs/dbraw/zinc/08/66/26/176086626.db2.gz MADXHZWVEHHXHW-UHFFFAOYSA-N -1 3 298.755 1.821 10 0 CDAEHM CCC1(C(=O)N=c2cc(OC)n(C)[n-]2)CCCC1 ZINC000547815606 289811866 /nfs/dbraw/zinc/81/18/66/289811866.db2.gz RETWYOMSYUQLEQ-UHFFFAOYSA-N -1 3 251.330 1.760 10 0 CDAEHM CCOC(=O)c1csc(=NC[C@@]2(C)CCOC2)[n-]1 ZINC000397391583 270349910 /nfs/dbraw/zinc/34/99/10/270349910.db2.gz QUURRJGKCGPHCQ-GFCCVEGCSA-N -1 3 270.354 1.580 10 0 CDAEHM CO[C@H](CC(=O)NCc1ncccc1[O-])C(F)(F)F ZINC000651948083 423955796 /nfs/dbraw/zinc/95/57/96/423955796.db2.gz BWDCTUASKCEYQA-SECBINFHSA-N -1 3 278.230 1.371 10 0 CDAEHM COC[C@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)C1CCOCC1 ZINC000661157435 423961727 /nfs/dbraw/zinc/96/17/27/423961727.db2.gz FYCRAZQNMOMBIM-AAEUAGOBSA-N -1 3 295.383 1.583 10 0 CDAEHM COC[C@@H]1C[C@@H](O)CN1C(=O)c1cc([O-])ccc1Cl ZINC000652783260 424170980 /nfs/dbraw/zinc/17/09/80/424170980.db2.gz PGLGJMHFXCSUCI-WCBMZHEXSA-N -1 3 285.727 1.267 10 0 CDAEHM CSc1ccc([O-])c(C(=O)N2CCNC[C@@](C)(F)C2)c1 ZINC000662568818 424181970 /nfs/dbraw/zinc/18/19/70/424181970.db2.gz VHFZACIENMWKRZ-CQSZACIVSA-N -1 3 298.383 1.888 10 0 CDAEHM CCN1CCC[C@@H]1CN(C)C(=O)C(C)(C)C(=O)[O-] ZINC000215194078 424445406 /nfs/dbraw/zinc/44/54/06/424445406.db2.gz IGAGJELAYLKXCZ-SNVBAGLBSA-N -1 3 256.346 1.040 10 0 CDAEHM CO[C@H]1C[C@@H](CC(=O)[O-])N(CCOc2ccc(F)cc2)C1 ZINC000652504007 424501967 /nfs/dbraw/zinc/50/19/67/424501967.db2.gz NMYZEHZAVIBZHZ-JSGCOSHPSA-N -1 3 297.326 1.769 10 0 CDAEHM Cc1cc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)ccc1Cl ZINC000655339287 424458714 /nfs/dbraw/zinc/45/87/14/424458714.db2.gz GXSPTQWCOJRBIV-VIFPVBQESA-N -1 3 281.699 1.185 10 0 CDAEHM O=C([O-])C[C@H]1COCCN1C[C@@H]1CCc2ccccc2C1 ZINC000652475482 424469569 /nfs/dbraw/zinc/46/95/69/424469569.db2.gz XRWWGAJCXPWWNS-CJNGLKHVSA-N -1 3 289.375 1.967 10 0 CDAEHM CO[C@@H](CS(=O)(=O)[N-]CC1(O)CCCCC1)C1CC1 ZINC000515379185 270436762 /nfs/dbraw/zinc/43/67/62/270436762.db2.gz MLDBPGJCWOXCAU-LBPRGKRZSA-N -1 3 291.413 1.026 10 0 CDAEHM O=C(NCC[C@@H]1CCCOC1)c1ccc(O)cc1[O-] ZINC000529596442 271000433 /nfs/dbraw/zinc/00/04/33/271000433.db2.gz CKDFTHIHEFUZEX-JTQLQIEISA-N -1 3 265.309 1.644 10 0 CDAEHM CCc1ccc([O-])c(C(=O)NC[C@H](O)[C@@H]2CCCO2)c1 ZINC000529770578 271034567 /nfs/dbraw/zinc/03/45/67/271034567.db2.gz PUGJWHWUVPRZHF-KBPBESRZSA-N -1 3 279.336 1.224 10 0 CDAEHM CCn1nc(C)cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000530129364 271113087 /nfs/dbraw/zinc/11/30/87/271113087.db2.gz LJVHBLUQHNYKAN-UHFFFAOYSA-N -1 3 287.323 1.837 10 0 CDAEHM CO[C@]1(C(=O)[O-])CCN(Cc2ccccc2N(C)C)C1 ZINC000530170774 271128406 /nfs/dbraw/zinc/12/84/06/271128406.db2.gz MVJDZYWKIURCBQ-OAHLLOKOSA-N -1 3 278.352 1.428 10 0 CDAEHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(CO)ccc2F)C1 ZINC000530211812 271153713 /nfs/dbraw/zinc/15/37/13/271153713.db2.gz QRRQLDVUUAHFGY-GXFFZTMASA-N -1 3 281.327 1.861 10 0 CDAEHM CC(C)(C)C1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)CC1 ZINC000266911001 277135518 /nfs/dbraw/zinc/13/55/18/277135518.db2.gz SJCMGDZASFIESU-UHFFFAOYSA-N -1 3 294.355 1.368 10 0 CDAEHM COc1nnc(NC(=O)c2ccc3c(c2)CCC3)[n-]1 ZINC000129560802 278086088 /nfs/dbraw/zinc/08/60/88/278086088.db2.gz JPXXEIVIJRGJGZ-UHFFFAOYSA-N -1 3 258.281 1.554 10 0 CDAEHM COc1nc(NC(=O)c2ccc3c(c2)CCC3)n[n-]1 ZINC000129560802 278086089 /nfs/dbraw/zinc/08/60/89/278086089.db2.gz JPXXEIVIJRGJGZ-UHFFFAOYSA-N -1 3 258.281 1.554 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc3c(c2)CCC3)n1 ZINC000129560802 278086090 /nfs/dbraw/zinc/08/60/90/278086090.db2.gz JPXXEIVIJRGJGZ-UHFFFAOYSA-N -1 3 258.281 1.554 10 0 CDAEHM CSCCCC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000126485554 279500343 /nfs/dbraw/zinc/50/03/43/279500343.db2.gz HCNRYSNQRSTJNS-UHFFFAOYSA-N -1 3 296.392 1.381 10 0 CDAEHM CCOc1cccnc1C(=O)[N-]c1nc2ccccn2n1 ZINC000132960015 279725565 /nfs/dbraw/zinc/72/55/65/279725565.db2.gz YBZPOTBHRHQEES-UHFFFAOYSA-N -1 3 283.291 1.775 10 0 CDAEHM O=C(CNC(=O)c1cccc([O-])c1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000519798413 281037664 /nfs/dbraw/zinc/03/76/64/281037664.db2.gz JALCGSFHTFHQTL-IMRBUKKESA-N -1 3 274.320 1.037 10 0 CDAEHM COC1(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)CCCC1 ZINC000527499064 281145552 /nfs/dbraw/zinc/14/55/52/281145552.db2.gz HAYGXYOFJNZFKW-NSHDSACASA-N -1 3 279.340 1.581 10 0 CDAEHM COc1nnc(NC(=O)c2conc2C(C)C)[n-]1 ZINC000528944716 281302524 /nfs/dbraw/zinc/30/25/24/281302524.db2.gz DUALNXKGZBRUKT-UHFFFAOYSA-N -1 3 251.246 1.177 10 0 CDAEHM COc1n[n-]c(NC(=O)c2conc2C(C)C)n1 ZINC000528944716 281302526 /nfs/dbraw/zinc/30/25/26/281302526.db2.gz DUALNXKGZBRUKT-UHFFFAOYSA-N -1 3 251.246 1.177 10 0 CDAEHM COc1nc(NC(=O)c2conc2C(C)C)n[n-]1 ZINC000528944716 281302527 /nfs/dbraw/zinc/30/25/27/281302527.db2.gz DUALNXKGZBRUKT-UHFFFAOYSA-N -1 3 251.246 1.177 10 0 CDAEHM COc1ccc(C(=O)N[C@]23C[C@H]2COC3(C)C)c([O-])c1 ZINC000529786135 281360355 /nfs/dbraw/zinc/36/03/55/281360355.db2.gz RRZJKICAEZZOKN-BJOHPYRUSA-N -1 3 277.320 1.698 10 0 CDAEHM COc1cc(=NC(=O)c2cc([N+](=O)[O-])ccc2C)[n-]n1C ZINC000547493033 289780240 /nfs/dbraw/zinc/78/02/40/289780240.db2.gz AFFOZKKWWOIREX-UHFFFAOYSA-N -1 3 290.279 1.320 10 0 CDAEHM COc1cc(=NC(=O)[C@H](c2ccccc2)N(C)C)[n-]n1C ZINC000548144502 289849815 /nfs/dbraw/zinc/84/98/15/289849815.db2.gz SFKVUVWBRHSDPY-AWEZNQCLSA-N -1 3 288.351 1.092 10 0 CDAEHM COc1cc(=NC(=O)NC2(C)CCC(C)CC2)[n-]n1C ZINC000548166714 289853068 /nfs/dbraw/zinc/85/30/68/289853068.db2.gz IYYBCLQKIPPRDS-UHFFFAOYSA-N -1 3 280.372 1.941 10 0 CDAEHM CCn1c(C)cc(C(=O)N=c2cc(OC)n(C)[n-]2)c1C 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CDAEHM Clc1ncsc1CN1CC[C@H](c2nn[n-]n2)C1 ZINC001434486559 961506191 /nfs/dbraw/zinc/50/61/91/961506191.db2.gz ZRKZFMWYKJKPQE-LURJTMIESA-N -1 3 270.749 1.299 10 0 CDAEHM Cc1cc([N-]S(=O)(=O)c2ccoc2)cc(C)n1 ZINC001340960828 963212823 /nfs/dbraw/zinc/21/28/23/963212823.db2.gz QEMBBAMOVQTAIC-UHFFFAOYSA-N -1 3 252.295 1.514 10 0 CDAEHM C/C(=C\C(=O)[N-]OCCOC(C)C)c1cnccn1 ZINC001556738525 965091035 /nfs/dbraw/zinc/09/10/35/965091035.db2.gz LLAJFURWNWKCKL-DHZHZOJOSA-N -1 3 265.313 1.353 10 0 CDAEHM Cc1ccc(CC(=O)[N-]OCc2ccccn2)cc1O ZINC001556953246 965124742 /nfs/dbraw/zinc/12/47/42/965124742.db2.gz VFLWEKGIKAOSDS-UHFFFAOYSA-N -1 3 272.304 1.886 10 0 CDAEHM CC(C)(CCCNCc1cn(C2CCC2)nn1)C(=O)[O-] ZINC001346682916 965211960 /nfs/dbraw/zinc/21/19/60/965211960.db2.gz JQFCFJRJWZHLLK-UHFFFAOYSA-N -1 3 280.372 1.984 10 0 CDAEHM Cc1cc(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)sc1C=O ZINC001445300571 966147924 /nfs/dbraw/zinc/14/79/24/966147924.db2.gz XKZNXPHLCKXJMI-UHFFFAOYSA-N -1 3 293.304 1.631 10 0 CDAEHM O=C(N[C@@H](CO)CN1CCCC1)c1ccc(Cl)c([O-])c1 ZINC001450603561 967754963 /nfs/dbraw/zinc/75/49/63/967754963.db2.gz NPAQSNFBNVZZEC-LLVKDONJSA-N -1 3 298.770 1.232 10 0 CDAEHM Cc1cccc(C(=O)[N-]n2ccc(=O)[nH]c2=O)c1Cl ZINC001454274115 968455188 /nfs/dbraw/zinc/45/51/88/968455188.db2.gz AFNOOIAGDCZATH-UHFFFAOYSA-N -1 3 279.683 1.295 10 0 CDAEHM C[C@H]1C[C@H]1CC(=O)N(C)CCNC(=O)c1ccccc1[O-] ZINC001527934070 968763799 /nfs/dbraw/zinc/76/37/99/968763799.db2.gz YTKFCTWLEHQYNU-RYUDHWBXSA-N -1 3 290.363 1.627 10 0 CDAEHM Cc1ccc(NCCNC(=O)c2ccc([O-])cn2)nc1 ZINC001456132448 968868682 /nfs/dbraw/zinc/86/86/82/968868682.db2.gz ZCMLWBMWGKZPCS-UHFFFAOYSA-N -1 3 272.308 1.333 10 0 CDAEHM O=C([O-])[C@H]1C[C@H](NCc2ccc(Br)o2)C1 ZINC000849230136 969918304 /nfs/dbraw/zinc/91/83/04/969918304.db2.gz BCDRJLXMKLFGGV-LJGSYFOKSA-N -1 3 274.114 1.995 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)C=Cc2ccccc2F)n1 ZINC001469725966 970269019 /nfs/dbraw/zinc/26/90/19/970269019.db2.gz UUNNGNZMPFNTSH-SREVYHEPSA-N -1 3 287.294 1.959 10 0 CDAEHM CC[C@@H](CC(F)F)C(=O)Nc1n[n-]c(CC(=O)OC)n1 ZINC001361917199 970673580 /nfs/dbraw/zinc/67/35/80/970673580.db2.gz KTCGFZQGOXZDTH-LURJTMIESA-N -1 3 290.270 1.140 10 0 CDAEHM C[C@@H](CNC(=O)c1cnncc1[O-])Oc1cccc(F)c1 ZINC001361970981 970729317 /nfs/dbraw/zinc/72/93/17/970729317.db2.gz NXBKTRBFFRXBQC-VIFPVBQESA-N -1 3 291.282 1.519 10 0 CDAEHM COC(=O)c1sccc1C(=O)Nc1ncccc1[O-] ZINC001417711165 973317348 /nfs/dbraw/zinc/31/73/48/973317348.db2.gz ZHPJFMORTJMFBG-UHFFFAOYSA-N -1 3 278.289 1.888 10 0 CDAEHM CCC(=O)NCC1CC(NC(=O)c2ccccc2[O-])C1 ZINC001380263116 976322210 /nfs/dbraw/zinc/32/22/10/976322210.db2.gz LLVSCWORWBJYKP-UHFFFAOYSA-N -1 3 276.336 1.427 10 0 CDAEHM C[C@@H]1C[C@@H]1C(=O)NCCN(C)C(=O)c1ccccc1[O-] ZINC001387607440 978259554 /nfs/dbraw/zinc/25/95/54/978259554.db2.gz ANFNAAVZQHOAER-PWSUYJOCSA-N -1 3 276.336 1.236 10 0 CDAEHM COc1nnc(NC(=O)CC=CCc2ccccc2)[n-]1 ZINC001596256877 1174233964 /nfs/dbraw/zinc/23/39/64/1174233964.db2.gz RFZMRULPNDENEV-AATRIKPKSA-N -1 3 272.308 1.941 10 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NC(=O)[C@H]1CCCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC000092599149 342418128 /nfs/dbraw/zinc/41/81/28/342418128.db2.gz STFIVZOMUWDFPB-CMPLNLGQSA-N -1 3 276.336 1.556 10 0 CDAEHM Cc1ccc(C(=O)N2CCCC[C@@H]2CC(N)=O)c([O-])c1 ZINC000094070045 342429604 /nfs/dbraw/zinc/42/96/04/342429604.db2.gz ZSBSGXXDZXCDFL-LLVKDONJSA-N -1 3 276.336 1.571 10 0 CDAEHM CO[C@@H](C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O)C1CCCCC1 ZINC000612088787 347011307 /nfs/dbraw/zinc/01/13/07/347011307.db2.gz GKWNFKGWQQEMQW-LLVKDONJSA-N -1 3 295.339 1.730 10 0 CDAEHM CCCC(CCC)C(=O)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000228453718 140194937 /nfs/dbraw/zinc/19/49/37/140194937.db2.gz OBNUTMGTFXGCGG-AWEZNQCLSA-N -1 3 281.356 1.013 10 0 CDAEHM COC[C@]1(C(=O)[O-])CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000313981500 344910184 /nfs/dbraw/zinc/91/01/84/344910184.db2.gz BIJALIQKBGJHOQ-AWEZNQCLSA-N -1 3 294.307 1.518 10 0 CDAEHM CCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)NCC(C)C ZINC000007364858 344955971 /nfs/dbraw/zinc/95/59/71/344955971.db2.gz 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ZINC000085819316 179181977 /nfs/dbraw/zinc/18/19/77/179181977.db2.gz GWQXUSHYOUMEDU-GXFFZTMASA-N -1 3 278.352 1.618 10 0 CDAEHM N[C@H](CCC(=O)[O-])C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000085819791 179182853 /nfs/dbraw/zinc/18/28/53/179182853.db2.gz UQWXWEMRXYYLKE-DJLDLDEBSA-N -1 3 296.289 1.416 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)N(Cc1ccsc1)C1CC1 ZINC000085817212 179180234 /nfs/dbraw/zinc/18/02/34/179180234.db2.gz FBDMEHKAPVOVCL-JTQLQIEISA-N -1 3 268.338 1.041 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000085816283 179180432 /nfs/dbraw/zinc/18/04/32/179180432.db2.gz TYRDIIRBYOKIGL-VXGBXAGGSA-N -1 3 268.357 1.360 10 0 CDAEHM CCc1nnc(CNC(=O)c2cc(SC)ccc2[O-])o1 ZINC000612992781 347358506 /nfs/dbraw/zinc/35/85/06/347358506.db2.gz DPOKHCNOMOUXAF-UHFFFAOYSA-N -1 3 293.348 1.990 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1CCCC[C@@H]1O)c1cccs1 ZINC000085988504 179212719 /nfs/dbraw/zinc/21/27/19/179212719.db2.gz YCNKHMBUQDXWIY-UWVGGRQHSA-N -1 3 275.395 1.578 10 0 CDAEHM 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CDAEHM O=C(c1cccc2[n-]nnc21)N1CCC[C@@](O)(C2CC2)C1 ZINC000618294480 349431707 /nfs/dbraw/zinc/43/17/07/349431707.db2.gz NUHUSULDQSHZEC-HNNXBMFYSA-N -1 3 286.335 1.335 10 0 CDAEHM O=C(c1cccc2nn[n-]c21)N1CCC[C@@](O)(C2CC2)C1 ZINC000618294480 349431711 /nfs/dbraw/zinc/43/17/11/349431711.db2.gz NUHUSULDQSHZEC-HNNXBMFYSA-N -1 3 286.335 1.335 10 0 CDAEHM O=C(c1cccc2n[n-]nc21)N1CCC[C@@](O)(C2CC2)C1 ZINC000618294480 349431714 /nfs/dbraw/zinc/43/17/14/349431714.db2.gz NUHUSULDQSHZEC-HNNXBMFYSA-N -1 3 286.335 1.335 10 0 CDAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CC[C@@H]2COC[C@@H]2C1 ZINC000620135581 350059453 /nfs/dbraw/zinc/05/94/53/350059453.db2.gz BLDMNYXLIQLQBS-BDAKNGLRSA-N -1 3 290.298 1.206 10 0 CDAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CC[C@@H]2COC[C@@H]2C1 ZINC000620135581 350059457 /nfs/dbraw/zinc/05/94/57/350059457.db2.gz BLDMNYXLIQLQBS-BDAKNGLRSA-N -1 3 290.298 1.206 10 0 CDAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CC[C@@H]2COC[C@@H]2C1 ZINC000620135581 350059460 /nfs/dbraw/zinc/05/94/60/350059460.db2.gz 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/nfs/dbraw/zinc/38/90/31/199389031.db2.gz BGXBHSZOMBZCFP-JTQLQIEISA-N -1 3 297.336 1.069 10 0 CDAEHM CCc1noc([N-]Cc2c(Br)cnn2C)n1 ZINC000292652513 198363660 /nfs/dbraw/zinc/36/36/60/198363660.db2.gz GSBIYXSANGAQDA-UHFFFAOYSA-N -1 3 286.133 1.740 10 0 CDAEHM Cc1ccc([O-])c(CN[C@@H](C)c2nnc3ccccn32)n1 ZINC000112716449 366124497 /nfs/dbraw/zinc/12/44/97/366124497.db2.gz HCABHHGUTWPQDS-NSHDSACASA-N -1 3 283.335 1.989 10 0 CDAEHM N[C@H](C(=O)[O-])[C@@H](O)c1ccc(Cl)cc1Br ZINC000126843430 356026666 /nfs/dbraw/zinc/02/66/66/356026666.db2.gz GEDVJMNCGFYMJE-YUMQZZPRSA-N -1 3 294.532 1.548 10 0 CDAEHM CCOC(=O)[C@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000036869241 356263566 /nfs/dbraw/zinc/26/35/66/356263566.db2.gz GCVBEHZNPFGDFQ-CYBMUJFWSA-N -1 3 277.320 1.950 10 0 CDAEHM CSc1cccnc1[N-]C(=O)c1cn2c(n1)COCC2 ZINC000628003892 356335584 /nfs/dbraw/zinc/33/55/84/356335584.db2.gz XQMZHKQMUPYNQZ-UHFFFAOYSA-N -1 3 290.348 1.783 10 0 CDAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ocnc1C(F)F ZINC000628032246 356395895 /nfs/dbraw/zinc/39/58/95/356395895.db2.gz RIEZKXWUZRSMEI-ZETCQYMHSA-N -1 3 298.249 1.861 10 0 CDAEHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCCC12CCC2 ZINC000336427308 363543374 /nfs/dbraw/zinc/54/33/74/363543374.db2.gz NHDDWIIPLFKJLP-UHFFFAOYSA-N -1 3 288.347 1.667 10 0 CDAEHM COC(=O)[C@@H](C)CN(C)C(=O)c1cccc([O-])c1 ZINC000042696066 357075964 /nfs/dbraw/zinc/07/59/64/357075964.db2.gz PBGVTLLSYJWACL-VIFPVBQESA-N -1 3 251.282 1.273 10 0 CDAEHM COc1cccc(C(=O)NC[C@H]2CCC[C@H]2O)c1[O-] ZINC000089162809 357487538 /nfs/dbraw/zinc/48/75/38/357487538.db2.gz WFQRGCUSXNQOFN-MWLCHTKSSA-N -1 3 265.309 1.292 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1CCCC[C@@H]1O)c1ccco1 ZINC000188718437 357929569 /nfs/dbraw/zinc/92/95/69/357929569.db2.gz SFRUZNSHWQNUGO-UWVGGRQHSA-N -1 3 259.327 1.109 10 0 CDAEHM O=S(=O)([N-][C@@H]1CCCc2c[nH]nc21)c1cscn1 ZINC000564914125 358084870 /nfs/dbraw/zinc/08/48/70/358084870.db2.gz VFNDWVIQGCMARQ-MRVPVSSYSA-N -1 3 284.366 1.222 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(OC)c(F)c2)[n-]1 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CC(C)c1nnc(C[S@@](=O)c2cccc([O-])c2)n1C ZINC000194631628 358385042 /nfs/dbraw/zinc/38/50/42/358385042.db2.gz ZCRFJKYNWGEQEB-LJQANCHMSA-N -1 3 279.365 1.952 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCCC[C@H]2C2(O)CC2)n1 ZINC000569566875 358617799 /nfs/dbraw/zinc/61/77/99/358617799.db2.gz VSFGJERPQQFMQT-LBPRGKRZSA-N -1 3 277.368 1.624 10 0 CDAEHM O=C([O-])[C@H](N1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000095347596 358682751 /nfs/dbraw/zinc/68/27/51/358682751.db2.gz BKFNONVOLLBTSW-IXUJDMMCSA-N -1 3 279.380 1.988 10 0 CDAEHM C[C@H](F)CCNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000356676575 366479820 /nfs/dbraw/zinc/47/98/20/366479820.db2.gz SRBWALAVJJMIER-VIFPVBQESA-N -1 3 262.288 1.950 10 0 CDAEHM CCCc1ccccc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000111563274 359241125 /nfs/dbraw/zinc/24/11/25/359241125.db2.gz JTMXBJRVAPYMOF-UHFFFAOYSA-N -1 3 275.308 1.129 10 0 CDAEHM O=C(CCC(F)F)NCCNC(=O)c1ccc([O-])cc1 ZINC000684462367 482827574 /nfs/dbraw/zinc/82/75/74/482827574.db2.gz AJAWQDARLYMBGG-UHFFFAOYSA-N -1 3 286.278 1.284 10 0 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/nfs/dbraw/zinc/32/79/42/360327942.db2.gz ISXBZWOELZIKON-UHFFFAOYSA-N -1 3 286.217 1.219 10 0 CDAEHM COCCCN(C)CCN=c1nc([C@@H](C)OC)[n-]s1 ZINC000337784735 360419560 /nfs/dbraw/zinc/41/95/60/360419560.db2.gz AOJQIYJSUXZSFK-SNVBAGLBSA-N -1 3 288.417 1.048 10 0 CDAEHM COCCCN(C)CCN=c1[n-]c([C@@H](C)OC)ns1 ZINC000337784735 360419563 /nfs/dbraw/zinc/41/95/63/360419563.db2.gz AOJQIYJSUXZSFK-SNVBAGLBSA-N -1 3 288.417 1.048 10 0 CDAEHM COc1cccc(C(=O)N[C@H]2CCCn3ncnc32)c1[O-] ZINC000177546179 189056619 /nfs/dbraw/zinc/05/66/19/189056619.db2.gz HVLODHCCASKNSM-JTQLQIEISA-N -1 3 288.307 1.257 10 0 CDAEHM CCc1nnc(CNC(=O)c2c[n-]c3ccccc3c2=O)o1 ZINC000348686013 360497423 /nfs/dbraw/zinc/49/74/23/360497423.db2.gz HSORMAUPWLDRBH-UHFFFAOYSA-N -1 3 298.302 1.404 10 0 CDAEHM O=C(NCCc1cccnc1)c1cc(=O)c2ccccc2[n-]1 ZINC000348845687 360635426 /nfs/dbraw/zinc/63/54/26/360635426.db2.gz XLONGGQEBHYUHA-UHFFFAOYSA-N -1 3 293.326 1.896 10 0 CDAEHM CC(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000566617425 360739936 /nfs/dbraw/zinc/73/99/36/360739936.db2.gz OHYHZLUCELYHNN-VXGBXAGGSA-N -1 3 285.413 1.913 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1c(F)cccc1F ZINC000335756134 360905483 /nfs/dbraw/zinc/90/54/83/360905483.db2.gz CIXQAQCJJOBSME-UHFFFAOYSA-N -1 3 264.231 1.995 10 0 CDAEHM O=C([O-])c1ccccc1[C@@H]1CCOCCN1CCO ZINC000616598666 360908916 /nfs/dbraw/zinc/90/89/16/360908916.db2.gz SRRWSDHDLFDUHP-ZDUSSCGKSA-N -1 3 265.309 1.141 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2SCCc3sccc32)[n-]1 ZINC000179374231 189190045 /nfs/dbraw/zinc/19/00/45/189190045.db2.gz NWFLUUKQNHOPGF-MRVPVSSYSA-N -1 3 296.377 1.844 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2SCCc3sccc32)n[n-]1 ZINC000179374231 189190046 /nfs/dbraw/zinc/19/00/46/189190046.db2.gz NWFLUUKQNHOPGF-MRVPVSSYSA-N -1 3 296.377 1.844 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2SCCc3sccc32)n1 ZINC000179374231 189190047 /nfs/dbraw/zinc/19/00/47/189190047.db2.gz NWFLUUKQNHOPGF-MRVPVSSYSA-N -1 3 296.377 1.844 10 0 CDAEHM C[C@H]1CCC[C@H](CNC(=O)c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000338765741 361013845 /nfs/dbraw/zinc/01/38/45/361013845.db2.gz HSJCKAWGMBQQCE-QWRGUYRKSA-N -1 3 292.383 1.804 10 0 CDAEHM C[C@@H](CO)[C@@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000235128581 361024089 /nfs/dbraw/zinc/02/40/89/361024089.db2.gz HIYHIEOHGWDGGV-JGVFFNPUSA-N -1 3 257.717 1.792 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2CCc3ccc(OC)cc32)[n-]1 ZINC000277914393 366687866 /nfs/dbraw/zinc/68/78/66/366687866.db2.gz ISXXFSSYVASWTC-SNVBAGLBSA-N -1 3 288.307 1.490 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2CCc3ccc(OC)cc32)n[n-]1 ZINC000277914393 366687867 /nfs/dbraw/zinc/68/78/67/366687867.db2.gz ISXXFSSYVASWTC-SNVBAGLBSA-N -1 3 288.307 1.490 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2CCc3ccc(OC)cc32)n1 ZINC000277914393 366687868 /nfs/dbraw/zinc/68/78/68/366687868.db2.gz ISXXFSSYVASWTC-SNVBAGLBSA-N -1 3 288.307 1.490 10 0 CDAEHM O=C(N[C@H]1CCCC[C@H]1O)c1ccc(O)cc1[O-] ZINC000051989276 361169686 /nfs/dbraw/zinc/16/96/86/361169686.db2.gz QDHDNCAUELAAEZ-WDEREUQCSA-N -1 3 251.282 1.131 10 0 CDAEHM CCC(F)(F)CNC(=O)CNC(=O)c1cccc([O-])c1 ZINC000628840978 361188892 /nfs/dbraw/zinc/18/88/92/361188892.db2.gz HVCCLLVXWDWRFA-UHFFFAOYSA-N -1 3 286.278 1.284 10 0 CDAEHM CC[C@@](C)(O)CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000267231832 363770337 /nfs/dbraw/zinc/77/03/37/363770337.db2.gz WECUVWQPXDIWAA-CQSZACIVSA-N -1 3 280.324 1.241 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2CCO[C@@H](CCF)C2)cs1 ZINC000629014259 361402974 /nfs/dbraw/zinc/40/29/74/361402974.db2.gz XVFVPSHTIQAOED-VIFPVBQESA-N -1 3 287.360 1.197 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCC(N2CCNC2=O)CC1 ZINC000357194189 366819496 /nfs/dbraw/zinc/81/94/96/366819496.db2.gz MHYXTHRCMPPLER-UHFFFAOYSA-N -1 3 289.335 1.022 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)n[n-]1 ZINC000435808496 361445192 /nfs/dbraw/zinc/44/51/92/361445192.db2.gz MVEWWTCSQPPLHL-JMJZKYOTSA-N -1 3 272.308 1.802 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)[n-]1 ZINC000435808496 361445196 /nfs/dbraw/zinc/44/51/96/361445196.db2.gz MVEWWTCSQPPLHL-JMJZKYOTSA-N -1 3 272.308 1.802 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000435808496 361445199 /nfs/dbraw/zinc/44/51/99/361445199.db2.gz MVEWWTCSQPPLHL-JMJZKYOTSA-N -1 3 272.308 1.802 10 0 CDAEHM O=C([O-])CC1(C(=O)Nc2ccc3c(c2)CNCC3)CCC1 ZINC000520429043 361514581 /nfs/dbraw/zinc/51/45/81/361514581.db2.gz GWSNVPMZDGXQDD-UHFFFAOYSA-N -1 3 288.347 1.916 10 0 CDAEHM C[C@@H](CC(N)=O)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436581857 361535311 /nfs/dbraw/zinc/53/53/11/361535311.db2.gz GGARJPXYUDSUCR-QMMMGPOBSA-N -1 3 292.335 1.099 10 0 CDAEHM COc1cc(C)cc(C(=O)Nc2cn(C)nn2)c1[O-] ZINC000436654200 361552162 /nfs/dbraw/zinc/55/21/62/361552162.db2.gz CUHLZQDNTBSZMN-UHFFFAOYSA-N -1 3 262.269 1.090 10 0 CDAEHM CC[C@H](C[C@H](C)CO)NC(=O)c1cccc(OC)c1[O-] ZINC000436901571 361602855 /nfs/dbraw/zinc/60/28/55/361602855.db2.gz BWUIXKBFJUBNQX-WDEREUQCSA-N -1 3 281.352 1.928 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(C(C)C)C2)o1 ZINC000336619853 363843884 /nfs/dbraw/zinc/84/38/84/363843884.db2.gz CYALGXXGTCCUQX-GFCCVEGCSA-N 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IUQBDRSANSYMGS-WCQYABFASA-N -1 3 280.372 1.208 10 0 CDAEHM O=C(Cc1cncc([O-])c1)NC[C@@H]1CC12CCSCC2 ZINC000563976261 364801789 /nfs/dbraw/zinc/80/17/89/364801789.db2.gz ONKXBPVGYQYDCM-LBPRGKRZSA-N -1 3 292.404 1.979 10 0 CDAEHM CC[C@H](NCc1nc(C)ccc1[O-])[C@H](O)C(F)(F)F ZINC000270772191 364750274 /nfs/dbraw/zinc/75/02/74/364750274.db2.gz AELRXCGDLCCTOK-KWQFWETISA-N -1 3 278.274 1.887 10 0 CDAEHM CCC(C)(C)OCC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000412296654 240140131 /nfs/dbraw/zinc/14/01/31/240140131.db2.gz FWNOUGXAYIHPBW-LLVKDONJSA-N -1 3 281.356 1.827 10 0 CDAEHM CC1(C)CCC(C)(CNC(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000412614531 240298092 /nfs/dbraw/zinc/29/80/92/240298092.db2.gz PGFQNUQQNXMBQL-UHFFFAOYSA-N -1 3 295.383 1.261 10 0 CDAEHM C[C@H]1CCN(Cc2nc(=O)[n-][nH]2)[C@H]1c1cccc(F)c1 ZINC000271612111 364990524 /nfs/dbraw/zinc/99/05/24/364990524.db2.gz KVPKFOMOUMVCEQ-TVQRCGJNSA-N -1 3 276.315 1.820 10 0 CDAEHM Cc1cccc(S(=O)(=O)[N-]C[C@H](O)C(C)C)c1F ZINC000181319629 365027262 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1.610 10 0 CDAEHM CO[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)CC[C@@H]1C ZINC000346835612 153319956 /nfs/dbraw/zinc/31/99/56/153319956.db2.gz UMGPATOWUQZXQY-TVQRCGJNSA-N -1 3 293.367 1.225 10 0 CDAEHM COc1ncccc1CNC(=O)NCc1ncccc1[O-] ZINC000349383534 154105867 /nfs/dbraw/zinc/10/58/67/154105867.db2.gz VFJAAQFZPUYGMO-UHFFFAOYSA-N -1 3 288.307 1.190 10 0 CDAEHM CC1(CNC(=O)NCc2ncccc2[O-])CCOCC1 ZINC000349700571 154187440 /nfs/dbraw/zinc/18/74/40/154187440.db2.gz IYNDAQZVEFKTRP-UHFFFAOYSA-N -1 3 279.340 1.403 10 0 CDAEHM CO[C@@H]1[C@@H](C)[C@H](NC(=O)NCc2ncccc2[O-])C1(C)C ZINC000349794018 154219790 /nfs/dbraw/zinc/21/97/90/154219790.db2.gz ZURPSTBYHSAAOV-TVYUQYBPSA-N -1 3 293.367 1.646 10 0 CDAEHM C[C@H]1COCC[C@@H]1NC(=O)NCc1ncccc1[O-] ZINC000350040402 154312662 /nfs/dbraw/zinc/31/26/62/154312662.db2.gz KASYERZDXCWFMA-UWVGGRQHSA-N -1 3 265.313 1.011 10 0 CDAEHM CCC[C@]1([N-]S(=O)(=O)c2cncc(F)c2)CCOC1 ZINC000352330178 155099199 /nfs/dbraw/zinc/09/91/99/155099199.db2.gz MKDGELWBIJTNEF-LBPRGKRZSA-N 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XMJOYLLZQYFVQH-UHFFFAOYSA-N -1 3 294.355 1.506 10 0 CDAEHM CC(C)(O)CO[N-]C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000284750844 196123595 /nfs/dbraw/zinc/12/35/95/196123595.db2.gz XMJOYLLZQYFVQH-UHFFFAOYSA-N -1 3 294.355 1.506 10 0 CDAEHM CCN1CCN(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000035222113 172065608 /nfs/dbraw/zinc/06/56/08/172065608.db2.gz PTLKGIDFDWOUNT-UHFFFAOYSA-N -1 3 253.375 1.417 10 0 CDAEHM NNc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1 ZINC000035354498 172145838 /nfs/dbraw/zinc/14/58/38/172145838.db2.gz PABLAFLZXOGURD-UHFFFAOYSA-N -1 3 281.312 1.912 10 0 CDAEHM Cn1ccnc1-c1noc([N-]Cc2cc3n(n2)CCC3)n1 ZINC000656766844 413629595 /nfs/dbraw/zinc/62/95/95/413629595.db2.gz FOPGPDZFJFKYQH-UHFFFAOYSA-N -1 3 285.311 1.225 10 0 CDAEHM Cn1ccnc1-c1noc([N-]Cc2ccnn2CC2CC2)n1 ZINC000656768047 413657216 /nfs/dbraw/zinc/65/72/16/413657216.db2.gz SCMNZGPQAMMLAE-UHFFFAOYSA-N -1 3 299.338 1.689 10 0 CDAEHM C[C@@H]1CCN(C(=O)[C@H](CN)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000656854979 413741509 /nfs/dbraw/zinc/74/15/09/413741509.db2.gz DPXGICPVGVSPOS-BNOWGMLFSA-N -1 3 290.363 1.298 10 0 CDAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](CO)C2CCC2)s1 ZINC000657058188 413883553 /nfs/dbraw/zinc/88/35/53/413883553.db2.gz ZVNSLOCVEDNVOI-JTQLQIEISA-N -1 3 290.410 1.199 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)n3ncnc32)s1 ZINC000657069303 413892968 /nfs/dbraw/zinc/89/29/68/413892968.db2.gz VMTHLAUMFHNIJF-HTRCEHHLSA-N -1 3 299.381 1.027 10 0 CDAEHM Cn1ccc(S(=O)(=O)[N-]CC[C@@]2(C)CC2(F)F)n1 ZINC000657157745 413983889 /nfs/dbraw/zinc/98/38/89/413983889.db2.gz RULPHDGNUSWUPQ-VIFPVBQESA-N -1 3 279.312 1.134 10 0 CDAEHM Cc1n[nH]c(C)c1N[C@H](C)c1c(C)nc(C)[n-]c1=O ZINC000037643018 173586604 /nfs/dbraw/zinc/58/66/04/173586604.db2.gz KCYSXFABGUUFFI-SSDOTTSWSA-N -1 3 261.329 1.900 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H]3COC[C@]3(C)C2)n1 ZINC000661705255 414300891 /nfs/dbraw/zinc/30/08/91/414300891.db2.gz UILMWLGZVCQAFK-WDMOLILDSA-N -1 3 263.341 1.520 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CC[C@@H](C)O[C@@H](C)C2)n1 ZINC000661858762 414407267 /nfs/dbraw/zinc/40/72/67/414407267.db2.gz VIDVJUFWXYNTGP-MNOVXSKESA-N -1 3 265.357 1.744 10 0 CDAEHM CN1CCC(Nc2ccc(F)cc2)(C(=O)[O-])CC1 ZINC000037955895 173897594 /nfs/dbraw/zinc/89/75/94/173897594.db2.gz HHZGZRUHFCHNMU-UHFFFAOYSA-N -1 3 252.289 1.787 10 0 CDAEHM CC(C)[C@@H](N[C@@H]1CCN(CC(=O)[O-])C1=O)c1ccccc1 ZINC000662211301 414565570 /nfs/dbraw/zinc/56/55/70/414565570.db2.gz OCFIXBXFDLFDCO-UKRRQHHQSA-N -1 3 290.363 1.659 10 0 CDAEHM CCN(CCC(=O)[O-])[C@@H](C)C(=O)NC(C)(C)CC ZINC000038025109 174009623 /nfs/dbraw/zinc/00/96/23/174009623.db2.gz JMWFBQZXUVFTNP-JTQLQIEISA-N -1 3 258.362 1.476 10 0 CDAEHM CCC[C@H](NC(=O)c1ccc(C)cc1[O-])C(N)=S ZINC000040354195 174245496 /nfs/dbraw/zinc/24/54/96/174245496.db2.gz BJDRKIYTVVWIOB-JTQLQIEISA-N -1 3 266.366 1.885 10 0 CDAEHM CC[C@](C)(NC(=O)c1ccccc1[O-])C(N)=S ZINC000040358691 174246409 /nfs/dbraw/zinc/24/64/09/174246409.db2.gz JSLZDXCUIGVJDU-LBPRGKRZSA-N -1 3 252.339 1.577 10 0 CDAEHM CCC[C@@H]([N-]S(=O)(=O)c1cccs1)C(N)=S ZINC000040363532 174247487 /nfs/dbraw/zinc/24/74/87/174247487.db2.gz NDKPXEKLLOQDBH-SSDOTTSWSA-N -1 3 278.424 1.481 10 0 CDAEHM CC[C@@H](C)NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000040422106 174257905 /nfs/dbraw/zinc/25/79/05/174257905.db2.gz QJCPSBJXZPKXBW-SECBINFHSA-N -1 3 250.298 1.711 10 0 CDAEHM CSCC[C@H](N)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000040472978 174281126 /nfs/dbraw/zinc/28/11/26/174281126.db2.gz RTPJCQRIQWBUDX-JTQLQIEISA-N -1 3 268.338 1.404 10 0 CDAEHM CSCC[C@H](N)C(=O)Nc1ccccc1C(=O)[O-] ZINC000040472854 174281375 /nfs/dbraw/zinc/28/13/75/174281375.db2.gz XKWGNOISXJQNJD-VIFPVBQESA-N -1 3 268.338 1.404 10 0 CDAEHM CSCC[C@H](N)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000040480054 174284385 /nfs/dbraw/zinc/28/43/85/174284385.db2.gz YTEGIAUJVZIIJU-VIFPVBQESA-N -1 3 286.328 1.543 10 0 CDAEHM CCC[C@](C)(N)C(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000040481574 174285098 /nfs/dbraw/zinc/28/50/98/174285098.db2.gz FEPLOUKEASYAMI-AWAWDMARSA-N -1 3 270.373 1.654 10 0 CDAEHM CCC[C@](C)(N)C(=O)N(CC(=O)[O-])c1ccc(C)cc1 ZINC000040483851 174286746 /nfs/dbraw/zinc/28/67/46/174286746.db2.gz ZZSJYSHWGPLXME-HNNXBMFYSA-N -1 3 278.352 1.930 10 0 CDAEHM C[C@@](N)(C(=O)N(CC(=O)[O-])c1ccccc1)C1CC1 ZINC000040484154 174287381 /nfs/dbraw/zinc/28/73/81/174287381.db2.gz HXRSUNLHBVQDNU-AWEZNQCLSA-N -1 3 262.309 1.232 10 0 CDAEHM CCC[C@H](N)C(=O)N(CCC(=O)[O-])c1ccccc1C ZINC000040483958 174287477 /nfs/dbraw/zinc/28/74/77/174287477.db2.gz WWONZKYKGTWCTC-LBPRGKRZSA-N -1 3 278.352 1.930 10 0 CDAEHM CN(C)CCNC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000040530417 174316472 /nfs/dbraw/zinc/31/64/72/174316472.db2.gz AVIPYEWZFGUGNY-UHFFFAOYSA-N -1 3 285.731 1.721 10 0 CDAEHM CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2C)C1 ZINC000040633719 174360034 /nfs/dbraw/zinc/36/00/34/174360034.db2.gz QMGXAQPKVAFQPL-CMPLNLGQSA-N -1 3 278.308 1.009 10 0 CDAEHM Nc1csc(S(=O)(=O)[N-]C[C@@H]2CCCOC2)c1 ZINC000041068505 174468960 /nfs/dbraw/zinc/46/89/60/174468960.db2.gz BCLHZWSINTVIIA-QMMMGPOBSA-N -1 3 276.383 1.035 10 0 CDAEHM CC(C)C[C@H](NCc1nc2ccccc2c(=O)[nH]1)C(=O)[O-] ZINC000043443115 175046887 /nfs/dbraw/zinc/04/68/87/175046887.db2.gz PYDHAPSLEIVFRE-LBPRGKRZSA-N -1 3 289.335 1.512 10 0 CDAEHM CC(C)NC(=O)CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC000043585292 175070895 /nfs/dbraw/zinc/07/08/95/175070895.db2.gz AOWRFQOHVBEPPW-NSHDSACASA-N -1 3 256.346 1.088 10 0 CDAEHM CCNCc1cccc(OC)c1O[C@@H](C)C(=O)[O-] ZINC000043625005 175081400 /nfs/dbraw/zinc/08/14/00/175081400.db2.gz OVZUBSOMWSMFSP-VIFPVBQESA-N -1 3 253.298 1.657 10 0 CDAEHM C[C@@H](CN1CCCC1)n1cc(C(=O)[O-])ccc1=O ZINC000043672476 175087413 /nfs/dbraw/zinc/08/74/13/175087413.db2.gz MWTUEKPZTYNQEZ-JTQLQIEISA-N -1 3 250.298 1.203 10 0 CDAEHM CC[C@H](C)N(CC(=O)[O-])C(=O)NC[C@@H]1CCCCN1C ZINC000044565419 175208009 /nfs/dbraw/zinc/20/80/09/175208009.db2.gz LMGOVNJAPXUXPV-RYUDHWBXSA-N -1 3 285.388 1.365 10 0 CDAEHM COCCCN1CCc2sccc2[C@@H]1C(=O)[O-] ZINC000044592419 175213807 /nfs/dbraw/zinc/21/38/07/175213807.db2.gz 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CC1=CC[C@@](C)(C(=O)[N-]c2nnc3[nH]cnn23)CC1 ZINC000614996623 348298352 /nfs/dbraw/zinc/29/83/52/348298352.db2.gz MTODWFVIKIZAKQ-GFCCVEGCSA-N -1 3 260.301 1.527 10 0 CDAEHM Cc1nc(SCC(=O)Nc2c([O-])cccc2F)n[nH]1 ZINC000674015789 482613084 /nfs/dbraw/zinc/61/30/84/482613084.db2.gz TZLZWBOVLKGEBH-UHFFFAOYSA-N -1 3 282.300 1.689 10 0 CDAEHM Cc1nnc(SCC(=O)Nc2c([O-])cccc2F)[nH]1 ZINC000674015789 482613089 /nfs/dbraw/zinc/61/30/89/482613089.db2.gz TZLZWBOVLKGEBH-UHFFFAOYSA-N -1 3 282.300 1.689 10 0 CDAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H]2CCC[C@H](C)C2)[n-]1 ZINC000615917479 348994968 /nfs/dbraw/zinc/99/49/68/348994968.db2.gz NCPGEQJMFHUSPL-VHSXEESVSA-N -1 3 294.355 1.424 10 0 CDAEHM COc1cc(C(=O)NCC2CSC2)cc(OC)c1[O-] ZINC000616053690 349271138 /nfs/dbraw/zinc/27/11/38/349271138.db2.gz GKWURFOXVKTDCB-UHFFFAOYSA-N -1 3 283.349 1.502 10 0 CDAEHM O=C(c1cccc2[n-]nnc21)N1CCC[C@](O)(C2CC2)C1 ZINC000618294481 349431543 /nfs/dbraw/zinc/43/15/43/349431543.db2.gz NUHUSULDQSHZEC-OAHLLOKOSA-N -1 3 286.335 1.335 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O=S(=O)([N-][C@]12C[C@H]1CCCC2)c1cnn2c1OCCC2 ZINC000632653286 363361078 /nfs/dbraw/zinc/36/10/78/363361078.db2.gz DGUZHVKOAFQYRO-ZWNOBZJWSA-N -1 3 297.380 1.277 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)NC[C@H](O)C(F)(F)F ZINC000265741564 363389116 /nfs/dbraw/zinc/38/91/16/363389116.db2.gz DMDAUDPWGQVMPH-VIFPVBQESA-N -1 3 296.220 1.254 10 0 CDAEHM COc1cccc(C(=O)NC2(CF)CCOCC2)c1[O-] ZINC000456047441 363508702 /nfs/dbraw/zinc/50/87/02/363508702.db2.gz KLLLGLTZXOUPOV-UHFFFAOYSA-N -1 3 283.299 1.649 10 0 CDAEHM CCCn1c(=O)[n-]nc1SC[C@@H](O)CC1(O)CCC1 ZINC000634638659 356617433 /nfs/dbraw/zinc/61/74/33/356617433.db2.gz SDJUWIMIBFMTIB-VIFPVBQESA-N -1 3 287.385 1.152 10 0 CDAEHM COc1cc(C(=O)NCC2(C)OCCCO2)ccc1[O-] ZINC000277126425 366313266 /nfs/dbraw/zinc/31/32/66/366313266.db2.gz UBFVZZGNCRSYSC-UHFFFAOYSA-N -1 3 281.308 1.284 10 0 CDAEHM COc1ccc(-c2nc(Cc3nnn[n-]3)cs2)cc1 ZINC000033825196 356807234 /nfs/dbraw/zinc/80/72/34/356807234.db2.gz DEQSTBYMHOPLAB-UHFFFAOYSA-N -1 3 273.321 1.923 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCC(C2OCCO2)CC1 ZINC000182287235 357429672 /nfs/dbraw/zinc/42/96/72/357429672.db2.gz WLHMRVKWTGFQBW-UHFFFAOYSA-N -1 3 277.320 1.617 10 0 CDAEHM O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1c[n-]nn1 ZINC000582094499 357565265 /nfs/dbraw/zinc/56/52/65/357565265.db2.gz PQELHUMAYCIOKC-DGCLKSJQSA-N -1 3 272.308 1.455 10 0 CDAEHM O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1cnn[n-]1 ZINC000582094499 357565269 /nfs/dbraw/zinc/56/52/69/357565269.db2.gz PQELHUMAYCIOKC-DGCLKSJQSA-N -1 3 272.308 1.455 10 0 CDAEHM O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1cn[n-]n1 ZINC000582094499 357565272 /nfs/dbraw/zinc/56/52/72/357565272.db2.gz PQELHUMAYCIOKC-DGCLKSJQSA-N -1 3 272.308 1.455 10 0 CDAEHM C=CC(=O)NCCNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000186263252 357630788 /nfs/dbraw/zinc/63/07/88/357630788.db2.gz HLMKYJTYALTYSV-UHFFFAOYSA-N -1 3 288.347 1.303 10 0 CDAEHM CC(F)(F)c1cccc(NC([O-])=NOCC(N)=O)c1 ZINC000187000792 357716358 /nfs/dbraw/zinc/71/63/58/357716358.db2.gz IQFQTCFSJLDPGO-UHFFFAOYSA-N -1 3 273.239 1.337 10 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296.751 1.772 10 0 CDAEHM COC[C@@H]1CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000354050724 359308090 /nfs/dbraw/zinc/30/80/90/359308090.db2.gz ZETFWLUVTABDLW-JTQLQIEISA-N -1 3 272.304 1.389 10 0 CDAEHM C[C@@]1(c2cccc(NC(=O)[C@H]3CC34CC4)c2)NC(=O)[N-]C1=O ZINC000643302178 359555102 /nfs/dbraw/zinc/55/51/02/359555102.db2.gz AQORPNINUZNHON-ABAIWWIYSA-N -1 3 299.330 1.480 10 0 CDAEHM Cc1ccc(C(=O)NCC[C@@H](C)[S@@](C)=O)c([O-])c1C ZINC000158180548 237125335 /nfs/dbraw/zinc/12/53/35/237125335.db2.gz HZUZTAUWLVXNJA-DGIBIBHMSA-N -1 3 283.393 1.896 10 0 CDAEHM Cc1nc(Cl)ccc1CC(=O)[N-]OC(C)(C)CO ZINC000296816514 200006007 /nfs/dbraw/zinc/00/60/07/200006007.db2.gz FWTJFFJMFZIINE-UHFFFAOYSA-N -1 3 272.732 1.405 10 0 CDAEHM C[C@H]1[C@@H](O)CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000296952625 200044660 /nfs/dbraw/zinc/04/46/60/200044660.db2.gz OWPIMYBCSRMWGC-KWQFWETISA-N -1 3 251.282 1.083 10 0 CDAEHM CC(C)[C@H]1C[C@@H](CNC(=O)Cc2cncc([O-])c2)CCO1 ZINC000580464428 359629463 /nfs/dbraw/zinc/62/94/63/359629463.db2.gz PHNWICUXUXCNKH-SWLSCSKDSA-N -1 3 292.379 1.897 10 0 CDAEHM CC(C)(O)CON=C([O-])Nc1cc(F)cc(F)c1F ZINC000297055893 200073657 /nfs/dbraw/zinc/07/36/57/200073657.db2.gz MFJLVVPCANTVNY-UHFFFAOYSA-N -1 3 278.230 1.928 10 0 CDAEHM CC(C)(O)CO[N-]C(=O)Nc1cc(F)cc(F)c1F ZINC000297055893 200073659 /nfs/dbraw/zinc/07/36/59/200073659.db2.gz MFJLVVPCANTVNY-UHFFFAOYSA-N -1 3 278.230 1.928 10 0 CDAEHM C[C@H]1c2ccccc2CN1C(=O)CN1CC(=O)[N-]C1=O ZINC000329328026 202285301 /nfs/dbraw/zinc/28/53/01/202285301.db2.gz KGLTZDRMIXAPQB-VIFPVBQESA-N -1 3 273.292 1.482 10 0 CDAEHM O=C(C=C1CCCCC1)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297640839 200250092 /nfs/dbraw/zinc/25/00/92/200250092.db2.gz DFDPGRVPGAGWDH-UHFFFAOYSA-N -1 3 289.339 1.526 10 0 CDAEHM O=C(C=C1CCCCC1)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297640839 200250093 /nfs/dbraw/zinc/25/00/93/200250093.db2.gz DFDPGRVPGAGWDH-UHFFFAOYSA-N -1 3 289.339 1.526 10 0 CDAEHM O=C(C=C1CCCCC1)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297640839 200250095 /nfs/dbraw/zinc/25/00/95/200250095.db2.gz DFDPGRVPGAGWDH-UHFFFAOYSA-N -1 3 289.339 1.526 10 0 CDAEHM O=C([N-]c1ccnc(OCCO)c1)c1ocnc1C(F)F ZINC000628150322 359845897 /nfs/dbraw/zinc/84/58/97/359845897.db2.gz NLKQCODRKKZIQK-UHFFFAOYSA-N -1 3 299.233 1.631 10 0 CDAEHM CC[C@@H](C)[C@H](C)C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297663567 200255546 /nfs/dbraw/zinc/25/55/46/200255546.db2.gz GHDQBQKCQKVXIY-SFYZADRCSA-N -1 3 279.344 1.318 10 0 CDAEHM CC[C@@H](C)[C@H](C)C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297663567 200255548 /nfs/dbraw/zinc/25/55/48/200255548.db2.gz GHDQBQKCQKVXIY-SFYZADRCSA-N -1 3 279.344 1.318 10 0 CDAEHM CC[C@@H](C)[C@H](C)C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297663567 200255549 /nfs/dbraw/zinc/25/55/49/200255549.db2.gz GHDQBQKCQKVXIY-SFYZADRCSA-N -1 3 279.344 1.318 10 0 CDAEHM CN(CCOCC(=O)[O-])CC1(c2ccccc2)CC1 ZINC000580336300 359836877 /nfs/dbraw/zinc/83/68/77/359836877.db2.gz HFXUDMLADSLWEA-UHFFFAOYSA-N -1 3 263.337 1.751 10 0 CDAEHM Cc1nn(C)c(C)c1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119492195 359915118 /nfs/dbraw/zinc/91/51/18/359915118.db2.gz LEDDFFOKYSKSET-UHFFFAOYSA-N -1 3 299.338 1.413 10 0 CDAEHM Cc1nn(C)c(C)c1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119492195 359915123 /nfs/dbraw/zinc/91/51/23/359915123.db2.gz LEDDFFOKYSKSET-UHFFFAOYSA-N -1 3 299.338 1.413 10 0 CDAEHM CCc1cnc(C[N-]S(=O)(=O)CCCCOC)o1 ZINC000277889162 366678109 /nfs/dbraw/zinc/67/81/09/366678109.db2.gz QIBLUDNKDDQMGZ-UHFFFAOYSA-N -1 3 276.358 1.083 10 0 CDAEHM Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(O)cc1[O-] ZINC000177707248 189064221 /nfs/dbraw/zinc/06/42/21/189064221.db2.gz VFMWVCWLMJOIQB-LLVKDONJSA-N -1 3 288.307 1.263 10 0 CDAEHM COC1CN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000335706992 360536635 /nfs/dbraw/zinc/53/66/35/360536635.db2.gz XVFRCYLVOHPHEL-UHFFFAOYSA-N -1 3 261.321 1.742 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@H]23)o1 ZINC000408411999 360861011 /nfs/dbraw/zinc/86/10/11/360861011.db2.gz MKUMVYHCSHNUBG-GMTAPVOTSA-N -1 3 271.338 1.434 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](C(C)C)C2CC2)c1 ZINC000660044340 412709681 /nfs/dbraw/zinc/70/96/81/412709681.db2.gz QBCMOUOXFRKOPZ-LBPRGKRZSA-N -1 3 271.386 1.616 10 0 CDAEHM Cc1ccc(C(=O)N(C)C[C@@H]2CN(C)CCO2)c([O-])c1 ZINC000633923486 360972881 /nfs/dbraw/zinc/97/28/81/360972881.db2.gz OHTGLMPJNNQSAE-LBPRGKRZSA-N -1 3 278.352 1.103 10 0 CDAEHM CCc1ncsc1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000338823048 361046441 /nfs/dbraw/zinc/04/64/41/361046441.db2.gz FPWFJVDAVOXAJF-UHFFFAOYSA-N -1 3 293.352 1.519 10 0 CDAEHM C[C@@H]1CC(CCN=c2[n-]c(C(N)=O)cs2)C[C@@H](C)O1 ZINC000432160482 361116112 /nfs/dbraw/zinc/11/61/12/361116112.db2.gz DFMOALKCCKOFLP-RKDXNWHRSA-N -1 3 283.397 1.670 10 0 CDAEHM O=c1nc(CCCNc2ccc3ccccc3n2)[nH][n-]1 ZINC000301508536 201037352 /nfs/dbraw/zinc/03/73/52/201037352.db2.gz AQPAUVZRTKQTFZ-UHFFFAOYSA-N -1 3 269.308 1.691 10 0 CDAEHM COc1cc(=NC(=O)N2CC[C@@H](C(C)C)C2)[n-]n1C ZINC000547515222 361434925 /nfs/dbraw/zinc/43/49/25/361434925.db2.gz KWPQMSCKTMMQFI-SNVBAGLBSA-N -1 3 266.345 1.360 10 0 CDAEHM CO[C@@H](C)c1nc(=N[C@H]2CCN(C(C)C)C2)s[n-]1 ZINC000389241325 361565164 /nfs/dbraw/zinc/56/51/64/361565164.db2.gz KUTHDNSKATZJFR-UWVGGRQHSA-N -1 3 270.402 1.562 10 0 CDAEHM CO[C@@H](C)c1nsc(=N[C@H]2CCN(C(C)C)C2)[n-]1 ZINC000389241325 361565168 /nfs/dbraw/zinc/56/51/68/361565168.db2.gz KUTHDNSKATZJFR-UWVGGRQHSA-N -1 3 270.402 1.562 10 0 CDAEHM CNC(=O)C[C@@H](NC(=O)c1ccccc1[O-])c1ccccc1 ZINC000436642473 361548447 /nfs/dbraw/zinc/54/84/47/361548447.db2.gz SJQCUEDDYIIBKO-CQSZACIVSA-N -1 3 298.342 1.999 10 0 CDAEHM O=C(NCCNC(=O)[C@H]1C[C@@H]1C(F)F)c1ccc([O-])cc1 ZINC000436652066 361550975 /nfs/dbraw/zinc/55/09/75/361550975.db2.gz ZQXCIDUOVGSHDO-QWRGUYRKSA-N -1 3 298.289 1.139 10 0 CDAEHM CCc1ccc(C(=O)NCC[C@H](C)[S@](C)=O)c([O-])c1 ZINC000436833917 361586022 /nfs/dbraw/zinc/58/60/22/361586022.db2.gz KKTAGCUUDZMUAW-OVWNDWIMSA-N -1 3 283.393 1.842 10 0 CDAEHM O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1ccc2n[n-]nc2c1 ZINC000629138162 361634005 /nfs/dbraw/zinc/63/40/05/361634005.db2.gz GTTGWRFKAFIEDU-GXFFZTMASA-N -1 3 272.308 1.255 10 0 CDAEHM Cc1ccc(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)c([O-])c1 ZINC000629134160 361619518 /nfs/dbraw/zinc/61/95/18/361619518.db2.gz ZKZXPGWVHXBCFG-FZMZJTMJSA-N -1 3 261.321 1.998 10 0 CDAEHM O=C([N-]O[C@H]1CCCCO1)[C@H]1CCCc2[nH]ncc21 ZINC000135224608 361703583 /nfs/dbraw/zinc/70/35/83/361703583.db2.gz OFPRYXBYCFHRFS-CABZTGNLSA-N -1 3 265.313 1.404 10 0 CDAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC1(C2CCC2)CCC1 ZINC000457156333 363931690 /nfs/dbraw/zinc/93/16/90/363931690.db2.gz FIVCNGBHARMCPD-UHFFFAOYSA-N -1 3 292.339 1.170 10 0 CDAEHM COC[C@]1(C)CN(C(=O)c2cc([O-])ccc2Cl)CCO1 ZINC000629898109 364114707 /nfs/dbraw/zinc/11/47/07/364114707.db2.gz IOTNZBNMMSXSHL-AWEZNQCLSA-N -1 3 299.754 1.923 10 0 CDAEHM COC[C@]1(C)CN(C(=O)c2cc(OC)ccc2[O-])CCO1 ZINC000629905149 364129121 /nfs/dbraw/zinc/12/91/21/364129121.db2.gz ADXHLCFBZDWOAI-HNNXBMFYSA-N -1 3 295.335 1.278 10 0 CDAEHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000270002152 364419176 /nfs/dbraw/zinc/41/91/76/364419176.db2.gz RNMMKILCRWMDPD-HTQZYQBOSA-N -1 3 260.746 1.669 10 0 CDAEHM CS[C@H](C)CC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352981134 364694271 /nfs/dbraw/zinc/69/42/71/364694271.db2.gz AVHHKDJBTKNXCV-PSASIEDQSA-N -1 3 269.370 1.763 10 0 CDAEHM CS[C@H](C)CC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352981135 364694376 /nfs/dbraw/zinc/69/43/76/364694376.db2.gz AVHHKDJBTKNXCV-SCZZXKLOSA-N -1 3 269.370 1.763 10 0 CDAEHM CC(C)(C)OCC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352994817 364701442 /nfs/dbraw/zinc/70/14/42/364701442.db2.gz VLNNEKGPKQYWNF-JTQLQIEISA-N -1 3 267.329 1.437 10 0 CDAEHM COC(=O)c1coc(C(=O)[N-]c2cc(OC)ncn2)c1 ZINC000353039706 364770559 /nfs/dbraw/zinc/77/05/59/364770559.db2.gz KVBGLYJNLMYUIK-UHFFFAOYSA-N -1 3 277.236 1.117 10 0 CDAEHM CC[C@@H](CC(F)F)C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000514657480 364876666 /nfs/dbraw/zinc/87/66/66/364876666.db2.gz YROPRMWTBCNTAO-ZETCQYMHSA-N -1 3 261.272 1.471 10 0 CDAEHM CC[C@H](NC(=O)Cc1cncc([O-])c1)C(F)(F)F 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287.323 1.763 10 0 CDAEHM Cc1ccc([O-])c(CN2C[C@@H](C)O[C@]3(CCOC3)C2)n1 ZINC000280298754 367342515 /nfs/dbraw/zinc/34/25/15/367342515.db2.gz OTGDEPOFQQLMFH-IUODEOHRSA-N -1 3 278.352 1.475 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000627125903 367502362 /nfs/dbraw/zinc/50/23/62/367502362.db2.gz YSQFXKKWJJYXRY-INIZCTEOSA-N -1 3 291.347 1.722 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CCOC(C)(C)CC)c1 ZINC000416524281 242035492 /nfs/dbraw/zinc/03/54/92/242035492.db2.gz LGTIXNYSUYFKMN-UHFFFAOYSA-N -1 3 289.401 1.387 10 0 CDAEHM CN1C[C@H](NC(=O)c2cc([O-])ccc2Cl)CCC1=O ZINC000234355200 367608663 /nfs/dbraw/zinc/60/86/63/367608663.db2.gz LQUBFJXXVHPQOO-MRVPVSSYSA-N -1 3 282.727 1.396 10 0 CDAEHM COc1nc(NC(=O)[C@H]2CC(C)(C)OC2(C)C)n[n-]1 ZINC000528948115 367613553 /nfs/dbraw/zinc/61/35/53/367613553.db2.gz OSTVKULPKAVIHV-SSDOTTSWSA-N -1 3 268.317 1.346 10 0 CDAEHM COc1nnc(NC(=O)[C@H]2CC(C)(C)OC2(C)C)[n-]1 ZINC000528948115 367613561 /nfs/dbraw/zinc/61/35/61/367613561.db2.gz 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148280089 /nfs/dbraw/zinc/28/00/89/148280089.db2.gz LJMUOWRNAHPDLY-UHFFFAOYSA-N -1 3 299.237 1.105 10 0 CDAEHM COc1nc(NC(=O)[C@@H](c2ccccc2)N(C)C)n[n-]1 ZINC000182984847 148280381 /nfs/dbraw/zinc/28/03/81/148280381.db2.gz AVYWFNJMVVQRJW-SNVBAGLBSA-N -1 3 275.312 1.055 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](c2ccccc2)N(C)C)[n-]1 ZINC000182984847 148280379 /nfs/dbraw/zinc/28/03/79/148280379.db2.gz AVYWFNJMVVQRJW-SNVBAGLBSA-N -1 3 275.312 1.055 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](c2ccccc2)N(C)C)n1 ZINC000182984847 148280384 /nfs/dbraw/zinc/28/03/84/148280384.db2.gz AVYWFNJMVVQRJW-SNVBAGLBSA-N -1 3 275.312 1.055 10 0 CDAEHM COc1nnc(NC(=O)COc2cccc3ccccc32)[n-]1 ZINC000183003442 148281984 /nfs/dbraw/zinc/28/19/84/148281984.db2.gz KIOCCRWRXJRMFS-UHFFFAOYSA-N -1 3 298.302 1.984 10 0 CDAEHM COc1nc(NC(=O)COc2cccc3ccccc32)n[n-]1 ZINC000183003442 148281988 /nfs/dbraw/zinc/28/19/88/148281988.db2.gz KIOCCRWRXJRMFS-UHFFFAOYSA-N -1 3 298.302 1.984 10 0 CDAEHM COc1n[n-]c(NC(=O)COc2cccc3ccccc32)n1 ZINC000183003442 148281990 /nfs/dbraw/zinc/28/19/90/148281990.db2.gz KIOCCRWRXJRMFS-UHFFFAOYSA-N -1 3 298.302 1.984 10 0 CDAEHM COCC[C@H](COC)NC(=O)c1cc([O-])ccc1Cl ZINC000311782901 149219583 /nfs/dbraw/zinc/21/95/83/149219583.db2.gz IBCROXXEPLBDSC-SECBINFHSA-N -1 3 287.743 1.827 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1ncn(-c2ccccc2)n1 ZINC000352502256 155232363 /nfs/dbraw/zinc/23/23/63/155232363.db2.gz RWZGQKWQTZAYFI-UHFFFAOYSA-N -1 3 295.302 1.298 10 0 CDAEHM CC(=O)c1cc(C(=O)NCc2ncccc2[O-])n(C)c1 ZINC000352505667 155234221 /nfs/dbraw/zinc/23/42/21/155234221.db2.gz APWDVMNGXBOLTK-UHFFFAOYSA-N -1 3 273.292 1.258 10 0 CDAEHM COc1ccc(C(=O)NCc2ncccc2[O-])cc1F ZINC000352508947 155237842 /nfs/dbraw/zinc/23/78/42/155237842.db2.gz OESAVNSIMPRQFS-UHFFFAOYSA-N -1 3 276.267 1.865 10 0 CDAEHM CCc1noc(C)c1C(=O)NCc1ncccc1[O-] ZINC000352515704 155241380 /nfs/dbraw/zinc/24/13/80/155241380.db2.gz HYJPEHKZYZONOX-UHFFFAOYSA-N -1 3 261.281 1.576 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1cc2nccnc2cc1F ZINC000352517278 155242479 /nfs/dbraw/zinc/24/24/79/155242479.db2.gz OQJADMRXMUZQAD-UHFFFAOYSA-N -1 3 298.277 1.800 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]3CCCCN3C2=O)o1 ZINC000334900854 150053755 /nfs/dbraw/zinc/05/37/55/150053755.db2.gz IBVONQLFTGPYIA-QWRGUYRKSA-N -1 3 298.364 1.020 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2[C@@H](C)C[C@@H]2C)c1 ZINC000335767797 151003014 /nfs/dbraw/zinc/00/30/14/151003014.db2.gz UHFPMIFTGGELDY-IUCAKERBSA-N -1 3 262.309 1.974 10 0 CDAEHM CC[C@@H]1[C@H](CO)CCN1C(=O)c1cccc(C)c1[O-] ZINC000335899546 151095514 /nfs/dbraw/zinc/09/55/14/151095514.db2.gz JJBBPTSILVLRLR-WCQYABFASA-N -1 3 263.337 1.934 10 0 CDAEHM O=C1NCCC[C@H]1NCc1cccc([O-])c1Cl ZINC000335919410 151113641 /nfs/dbraw/zinc/11/36/41/151113641.db2.gz AROSXFLZPFWTFM-SECBINFHSA-N -1 3 254.717 1.414 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@H]2CSC[C@H]2C)sc1C ZINC000343636595 152252447 /nfs/dbraw/zinc/25/24/47/152252447.db2.gz UKUGGPNKUBWIFD-SVRRBLITSA-N -1 3 272.395 1.823 10 0 CDAEHM CCC1(CNC(=O)NCc2ncccc2[O-])CCOCC1 ZINC000349465795 154120326 /nfs/dbraw/zinc/12/03/26/154120326.db2.gz NNZMTJNYLGALIR-UHFFFAOYSA-N -1 3 293.367 1.793 10 0 CDAEHM CS[C@@H](C)CNC(=O)NCc1ncccc1[O-] ZINC000349799694 154220765 /nfs/dbraw/zinc/22/07/65/154220765.db2.gz IAKQWKIIXBLPCL-QMMMGPOBSA-N -1 3 255.343 1.338 10 0 CDAEHM COc1ccc(CNC(=O)NCc2ncccc2[O-])nc1 ZINC000350090949 154326546 /nfs/dbraw/zinc/32/65/46/154326546.db2.gz HMJSAMLOMYBEML-UHFFFAOYSA-N -1 3 288.307 1.190 10 0 CDAEHM CCC(CC)(NCc1cn(C2CCC2)nn1)C(=O)[O-] ZINC000656566293 413436146 /nfs/dbraw/zinc/43/61/46/413436146.db2.gz GWJMAIFOLJJYGG-UHFFFAOYSA-N -1 3 266.345 1.736 10 0 CDAEHM C[C@@H](CNC(=O)C(=O)[N-]c1cnns1)C1CCCCC1 ZINC000658883490 413455673 /nfs/dbraw/zinc/45/56/73/413455673.db2.gz VLWDYLZYQYPTHA-VIFPVBQESA-N -1 3 296.396 1.809 10 0 CDAEHM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])o2)C[C@H](C)O1 ZINC000656764994 413625899 /nfs/dbraw/zinc/62/58/99/413625899.db2.gz HIMWGXCKFUZTOV-ZJUUUORDSA-N -1 3 253.298 1.977 10 0 CDAEHM CC(=O)c1ccc(C(=O)NCC[C@H]2CCCO2)cc1[O-] ZINC000662944511 413726834 /nfs/dbraw/zinc/72/68/34/413726834.db2.gz QRETZIKHPLETDT-GFCCVEGCSA-N -1 3 277.320 1.894 10 0 CDAEHM CC(C)[C@H](CNC(=O)[C@@H](CN)c1ccc(F)cc1)C(=O)[O-] ZINC000656855599 413751007 /nfs/dbraw/zinc/75/10/07/413751007.db2.gz ONFYWNHYCGPISQ-STQMWFEESA-N -1 3 296.342 1.341 10 0 CDAEHM C[C@H](NC(=O)[C@@H]1CCCCN1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656855937 413761293 /nfs/dbraw/zinc/76/12/93/413761293.db2.gz VHOXPUYSYAQOKW-YFKTTZPYSA-N -1 3 282.384 1.380 10 0 CDAEHM C[C@@H](CC(=O)Nc1ccc(Cl)cc1[O-])NC(N)=O ZINC000654965999 413850662 /nfs/dbraw/zinc/85/06/62/413850662.db2.gz APMBBDAEIJQNMF-LURJTMIESA-N -1 3 271.704 1.431 10 0 CDAEHM CCCn1c(=O)[n-]nc1SC[C@@H](OC)[C@H]1CCOC1 ZINC000657232369 414054545 /nfs/dbraw/zinc/05/45/45/414054545.db2.gz XRECJFZTHRWTAA-VHSXEESVSA-N -1 3 287.385 1.537 10 0 CDAEHM CCCN[C@@H](C(=O)[O-])c1cccc(OC)c1OC ZINC000037182775 173015247 /nfs/dbraw/zinc/01/52/47/173015247.db2.gz NXYNWOFWPZECGW-LLVKDONJSA-N -1 3 253.298 1.829 10 0 CDAEHM O=C([O-])c1cc(Cl)nc(N[C@H]2CN3CCC2CC3)c1 ZINC000037373968 173163694 /nfs/dbraw/zinc/16/36/94/173163694.db2.gz WNLOZRVMOXWHPS-JTQLQIEISA-N -1 3 281.743 1.939 10 0 CDAEHM CN(C)C[C@H](NC(=O)CCC(=O)[O-])c1ccccc1 ZINC000037791971 173723803 /nfs/dbraw/zinc/72/38/03/173723803.db2.gz MKTZTYALUNKURM-LBPRGKRZSA-N -1 3 264.325 1.270 10 0 CDAEHM O=C([O-])CN1CC[C@@H](N2CCC[C@H]2c2ccccc2)C1=O ZINC000662200842 414559122 /nfs/dbraw/zinc/55/91/22/414559122.db2.gz MHEAWMGSSDFPKF-UONOGXRCSA-N -1 3 288.347 1.509 10 0 CDAEHM CC(C)[C@@H](N[C@H]1CCN(CC(=O)[O-])C1=O)c1ccccc1 ZINC000662211299 414565227 /nfs/dbraw/zinc/56/52/27/414565227.db2.gz OCFIXBXFDLFDCO-DZGCQCFKSA-N -1 3 290.363 1.659 10 0 CDAEHM CC[C@](C)([N-]S(=O)(=O)c1c(C)noc1C)C(N)=S ZINC000040364721 174247813 /nfs/dbraw/zinc/24/78/13/174247813.db2.gz QUOJWVXSRAYAFM-JTQLQIEISA-N -1 3 291.398 1.025 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000040470095 174279079 /nfs/dbraw/zinc/27/90/79/174279079.db2.gz BWTYZNPUAFCFCH-ZANVPECISA-N -1 3 264.325 1.626 10 0 CDAEHM CC[C@@H](C)NCC(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000040473820 174281667 /nfs/dbraw/zinc/28/16/67/174281667.db2.gz IWZIROGIOCNONI-MRVPVSSYSA-N -1 3 268.288 1.851 10 0 CDAEHM COc1cc(NC(=O)CNC2CC2)c(Cl)cc1C(=O)[O-] ZINC000040482768 174286418 /nfs/dbraw/zinc/28/64/18/174286418.db2.gz FNLAPMNEEGOLFV-UHFFFAOYSA-N -1 3 298.726 1.737 10 0 CDAEHM Cc1ccc(N(CCC(=O)[O-])C(=O)[C@@H](C)N)cc1 ZINC000040483737 174287069 /nfs/dbraw/zinc/28/70/69/174287069.db2.gz WXAPGAKOSLQHLS-SNVBAGLBSA-N -1 3 250.298 1.150 10 0 CDAEHM CC(C)N(CCCC(=O)[O-])C(=O)[C@@](C)(N)C1CC1 ZINC000040485514 174288711 /nfs/dbraw/zinc/28/87/11/174288711.db2.gz QJTAALHXVZRWJI-ZDUSSCGKSA-N -1 3 256.346 1.216 10 0 CDAEHM NC1(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)CCCC1 ZINC000040486715 174289963 /nfs/dbraw/zinc/28/99/63/174289963.db2.gz LGTHIBSLPDXCKD-NSHDSACASA-N -1 3 268.357 1.408 10 0 CDAEHM Cc1cccc(C(=O)[O-])c1NC(=O)NCCN(C)C ZINC000040530432 174316606 /nfs/dbraw/zinc/31/66/06/174316606.db2.gz AKYCRDZTVDSIEG-UHFFFAOYSA-N -1 3 265.313 1.376 10 0 CDAEHM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NCCN1CCCCCC1 ZINC000040768006 174398444 /nfs/dbraw/zinc/39/84/44/174398444.db2.gz ZPQWYYZZEYMLBF-KBPBESRZSA-N -1 3 294.395 1.646 10 0 CDAEHM CC(C)NC(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000043585289 175071008 /nfs/dbraw/zinc/07/10/08/175071008.db2.gz AOWRFQOHVBEPPW-LLVKDONJSA-N -1 3 256.346 1.088 10 0 CDAEHM CC(C)[C@H](N)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000043601376 175077655 /nfs/dbraw/zinc/07/76/55/175077655.db2.gz PKRYQKUEQHQKCZ-QWHCGFSZSA-N -1 3 276.336 1.180 10 0 CDAEHM CN1CCCC[C@@H]1CNC(=O)Nc1ccccc1C(=O)[O-] ZINC000044565569 175208281 /nfs/dbraw/zinc/20/82/81/175208281.db2.gz WYZRGTNTMUCFQQ-LLVKDONJSA-N -1 3 291.351 1.991 10 0 CDAEHM Cc1cc(C[N-]S(=O)(=O)c2ccc(F)cc2N)on1 ZINC000044986708 175284447 /nfs/dbraw/zinc/28/44/47/175284447.db2.gz QUFNPAWJNKJAPP-UHFFFAOYSA-N -1 3 285.300 1.183 10 0 CDAEHM COc1ccc([O-])c(C(=O)N(C)[C@H](C)C(N)=S)c1 ZINC000045146724 175316904 /nfs/dbraw/zinc/31/69/04/175316904.db2.gz CVUCSJPRGVKRCQ-SSDOTTSWSA-N -1 3 268.338 1.147 10 0 CDAEHM Cc1ncsc1C[N-]S(=O)(=O)c1cc(N)cs1 ZINC000071212810 176084979 /nfs/dbraw/zinc/08/49/79/176084979.db2.gz ZPBCIXXUXQESRX-UHFFFAOYSA-N -1 3 289.407 1.574 10 0 CDAEHM COc1cc(=NC(=O)NCCc2cccc(C)c2)[n-]n1C ZINC000547838479 289814929 /nfs/dbraw/zinc/81/49/29/289814929.db2.gz AVQRZQCJSFIGBC-UHFFFAOYSA-N -1 3 288.351 1.523 10 0 CDAEHM COc1cccc(C(=O)N[C@H]2CCOC2(C)C)c1[O-] ZINC000328368004 270332464 /nfs/dbraw/zinc/33/24/64/270332464.db2.gz HOQIUQGCEFOVHW-NSHDSACASA-N -1 3 265.309 1.698 10 0 CDAEHM CCn1cc([N-]S(=O)(=O)N2CCC[C@H]2C)cn1 ZINC000185191536 262301816 /nfs/dbraw/zinc/30/18/16/262301816.db2.gz JBAMDPNIZWUKFY-SECBINFHSA-N -1 3 258.347 1.044 10 0 CDAEHM CC1(C)Cc2ccc(C(=O)N[C@H](CO)CCF)c([O-])c2O1 ZINC000652912855 423827913 /nfs/dbraw/zinc/82/79/13/423827913.db2.gz PBNBCQUQVZBDJP-JTQLQIEISA-N -1 3 297.326 1.556 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H](CO)C1CCC1 ZINC000664191995 424174581 /nfs/dbraw/zinc/17/45/81/424174581.db2.gz XIXDMYDHJGRCHC-LBPRGKRZSA-N -1 3 282.315 1.492 10 0 CDAEHM Cc1ccc(CN(C[C@@](C)(O)C(=O)[O-])C2CC2)o1 ZINC000652387624 424359161 /nfs/dbraw/zinc/35/91/61/424359161.db2.gz DEZQUTHDFUQQDU-CYBMUJFWSA-N -1 3 253.298 1.388 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(C2(O)CC2)CC1 ZINC000652656984 424603707 /nfs/dbraw/zinc/60/37/07/424603707.db2.gz RQPZVBGDCKLEJG-UHFFFAOYSA-N -1 3 293.338 1.837 10 0 CDAEHM O=C([O-])[C@@H]1c2ccoc2CCN1CCCn1ccnc1 ZINC000530166879 271123479 /nfs/dbraw/zinc/12/34/79/271123479.db2.gz SFFBAPMOQDLHRO-ZDUSSCGKSA-N -1 3 275.308 1.550 10 0 CDAEHM CC1(C)Cc2ccc(C(=O)N[C@H]3CCOC3)c([O-])c2O1 ZINC000436510636 278396512 /nfs/dbraw/zinc/39/65/12/278396512.db2.gz HLAKSQDHYRQCFN-JTQLQIEISA-N -1 3 277.320 1.624 10 0 CDAEHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000451699254 278415073 /nfs/dbraw/zinc/41/50/73/278415073.db2.gz UQHDMUOEPPYLFM-JTQLQIEISA-N -1 3 274.317 1.067 10 0 CDAEHM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000277715019 278424418 /nfs/dbraw/zinc/42/44/18/278424418.db2.gz GNSHKOFVCLSVLI-MRVPVSSYSA-N -1 3 292.813 1.907 10 0 CDAEHM C[C@@H]1OCC[C@@H]1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000281918799 279044084 /nfs/dbraw/zinc/04/40/84/279044084.db2.gz BITIWISNASMTIK-RCOVLWMOSA-N -1 3 264.260 1.004 10 0 CDAEHM C[C@@H]1OCC[C@@H]1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000281918799 279044086 /nfs/dbraw/zinc/04/40/86/279044086.db2.gz BITIWISNASMTIK-RCOVLWMOSA-N -1 3 264.260 1.004 10 0 CDAEHM C[C@@H]1OCC[C@@H]1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000281918799 279044087 /nfs/dbraw/zinc/04/40/87/279044087.db2.gz BITIWISNASMTIK-RCOVLWMOSA-N -1 3 264.260 1.004 10 0 CDAEHM CCc1cc(C)c(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)o1 ZINC000131551774 279680139 /nfs/dbraw/zinc/68/01/39/279680139.db2.gz VLELIYGWSTUGCI-UHFFFAOYSA-N -1 3 277.280 1.912 10 0 CDAEHM CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000408272754 280091883 /nfs/dbraw/zinc/09/18/83/280091883.db2.gz ITMPJLJPLGURHJ-GWCFXTLKSA-N -1 3 291.351 1.128 10 0 CDAEHM CCS(=O)(=O)C1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000444758070 280792724 /nfs/dbraw/zinc/79/27/24/280792724.db2.gz XKKUYJLNNMRQOA-UHFFFAOYSA-N -1 3 297.376 1.432 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)n1 ZINC000528790135 281284900 /nfs/dbraw/zinc/28/49/00/281284900.db2.gz WCOGTJUXUCTXND-LCCANLFKSA-N -1 3 295.408 1.537 10 0 CDAEHM O=C(c1ccccc1[O-])N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000530058570 281431546 /nfs/dbraw/zinc/43/15/46/281431546.db2.gz IIUUOVGWGKJMHS-MNOVXSKESA-N -1 3 295.360 1.184 10 0 CDAEHM C[C@@H]1C[C@@H](O)CN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000335122169 288571718 /nfs/dbraw/zinc/57/17/18/288571718.db2.gz QCGOPSYSJODZSF-PSASIEDQSA-N -1 3 269.728 1.889 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2nnc(C)s2)o1 ZINC000543729499 289612388 /nfs/dbraw/zinc/61/23/88/289612388.db2.gz MGFQARJXGVJGCR-UHFFFAOYSA-N -1 3 273.339 1.226 10 0 CDAEHM COc1cc(=NC(=O)C2(Cc3ccccc3)CC2)[n-]n1C ZINC000547817159 289812448 /nfs/dbraw/zinc/81/24/48/289812448.db2.gz 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293.241 1.444 10 0 CDAEHM COc1nnc(NC(=O)CCCC[C@@H](C)C(C)=O)[n-]1 ZINC000182988998 524977072 /nfs/dbraw/zinc/97/70/72/524977072.db2.gz XSLDMHHFSJSRCY-MRVPVSSYSA-N -1 3 268.317 1.537 10 0 CDAEHM COc1nc(NC(=O)CCCC[C@@H](C)C(C)=O)n[n-]1 ZINC000182988998 524977085 /nfs/dbraw/zinc/97/70/85/524977085.db2.gz XSLDMHHFSJSRCY-MRVPVSSYSA-N -1 3 268.317 1.537 10 0 CDAEHM COc1n[n-]c(NC(=O)CCCC[C@@H](C)C(C)=O)n1 ZINC000182988998 524977092 /nfs/dbraw/zinc/97/70/92/524977092.db2.gz XSLDMHHFSJSRCY-MRVPVSSYSA-N -1 3 268.317 1.537 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](SC)c2ccccc2)[n-]1 ZINC000182999416 524982585 /nfs/dbraw/zinc/98/25/85/524982585.db2.gz CKWVQSBMGRDKDG-VIFPVBQESA-N -1 3 278.337 1.856 10 0 CDAEHM COc1nc(NC(=O)[C@@H](SC)c2ccccc2)n[n-]1 ZINC000182999416 524982594 /nfs/dbraw/zinc/98/25/94/524982594.db2.gz CKWVQSBMGRDKDG-VIFPVBQESA-N -1 3 278.337 1.856 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](SC)c2ccccc2)n1 ZINC000182999416 524982607 /nfs/dbraw/zinc/98/26/07/524982607.db2.gz CKWVQSBMGRDKDG-VIFPVBQESA-N -1 3 278.337 1.856 10 0 CDAEHM CSCC[N-]S(=O)(=O)c1cc(N)c(F)cc1Cl ZINC000069428491 525511035 /nfs/dbraw/zinc/51/10/35/525511035.db2.gz CVVZUOOXIYHHEY-UHFFFAOYSA-N -1 3 298.792 1.703 10 0 CDAEHM C[C@@](CC(=O)N1CCCNCC1)(C(=O)[O-])c1ccccc1 ZINC000048822974 525739359 /nfs/dbraw/zinc/73/93/59/525739359.db2.gz DDMSUBQRYMZYOF-INIZCTEOSA-N -1 3 290.363 1.241 10 0 CDAEHM CC(=O)c1cccc([N-]S(=O)(=O)c2c[nH]c(=O)s2)c1 ZINC000436480793 534892752 /nfs/dbraw/zinc/89/27/52/534892752.db2.gz YARFCCRCYGBPDC-UHFFFAOYSA-N -1 3 298.345 1.852 10 0 CDAEHM O=C([O-])[C@H](NCc1ccn(-c2ccccc2)n1)C1CC1 ZINC000061641288 526313931 /nfs/dbraw/zinc/31/39/31/526313931.db2.gz ALFVUZROYDVNFA-CQSZACIVSA-N -1 3 271.320 1.825 10 0 CDAEHM Cc1nnc(N[C@@H](C)CN2CCCC2)c(C(=O)[O-])c1C ZINC000054531550 526373099 /nfs/dbraw/zinc/37/30/99/526373099.db2.gz BXJQREOLLWYVGR-VIFPVBQESA-N -1 3 278.356 1.688 10 0 CDAEHM Cc1csc2nc(CN[C@H](C(=O)[O-])C3CC3)cc(=O)n12 ZINC000054522421 526454868 /nfs/dbraw/zinc/45/48/68/526454868.db2.gz DYTISIAMTKWPMS-NSHDSACASA-N -1 3 293.348 1.017 10 0 CDAEHM Cc1nc(C(=O)N2CCC[C@@H]2CN(C)C)ccc1C(=O)[O-] ZINC000061655513 526640578 /nfs/dbraw/zinc/64/05/78/526640578.db2.gz CUWHEWNGKCMKPZ-LLVKDONJSA-N -1 3 291.351 1.254 10 0 CDAEHM COc1cc(C(=O)N[C@@H]2CCC[C@H](CO)C2)ccc1[O-] ZINC000414038180 536506273 /nfs/dbraw/zinc/50/62/73/536506273.db2.gz JBDPBODVSKKRGT-CMPLNLGQSA-N -1 3 279.336 1.682 10 0 CDAEHM [O-]c1coc2cc(OC[C@H](O)C(F)(F)F)ccc12 ZINC000068880256 527013405 /nfs/dbraw/zinc/01/34/05/527013405.db2.gz ZKQRVMNXVUOAFY-JTQLQIEISA-N -1 3 262.183 1.564 10 0 CDAEHM NC[C@H](C(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccccc1 ZINC000061612759 527222220 /nfs/dbraw/zinc/22/22/20/527222220.db2.gz GDVZMHKBSPZUEM-OLZOCXBDSA-N -1 3 276.336 1.195 10 0 CDAEHM O=c1[n-][nH]c(=O)c2c(NCc3cncs3)cccc12 ZINC000054769971 527446645 /nfs/dbraw/zinc/44/66/45/527446645.db2.gz BFZNTWDGTURRSV-UHFFFAOYSA-N -1 3 274.305 1.697 10 0 CDAEHM Nc1nnc(C(=O)Nc2ccc(-c3cnco3)cc2)[n-]1 ZINC000055166776 527545725 /nfs/dbraw/zinc/54/57/25/527545725.db2.gz GUURQYKVEDCOFS-UHFFFAOYSA-N -1 3 270.252 1.294 10 0 CDAEHM Nc1n[n-]c(C(=O)Nc2ccc(-c3cnco3)cc2)n1 ZINC000055166776 527545731 /nfs/dbraw/zinc/54/57/31/527545731.db2.gz GUURQYKVEDCOFS-UHFFFAOYSA-N -1 3 270.252 1.294 10 0 CDAEHM Nc1nc(C(=O)Nc2ccc(-c3cnco3)cc2)n[n-]1 ZINC000055166776 527545732 /nfs/dbraw/zinc/54/57/32/527545732.db2.gz GUURQYKVEDCOFS-UHFFFAOYSA-N -1 3 270.252 1.294 10 0 CDAEHM Nc1nnc(C(=O)Nc2cccc3ccccc32)[n-]1 ZINC000055163941 527547040 /nfs/dbraw/zinc/54/70/40/527547040.db2.gz DVOHBTVLBNCCSQ-UHFFFAOYSA-N -1 3 253.265 1.792 10 0 CDAEHM Nc1n[n-]c(C(=O)Nc2cccc3ccccc32)n1 ZINC000055163941 527547044 /nfs/dbraw/zinc/54/70/44/527547044.db2.gz DVOHBTVLBNCCSQ-UHFFFAOYSA-N -1 3 253.265 1.792 10 0 CDAEHM Nc1nc(C(=O)Nc2cccc3ccccc32)n[n-]1 ZINC000055163941 527547047 /nfs/dbraw/zinc/54/70/47/527547047.db2.gz DVOHBTVLBNCCSQ-UHFFFAOYSA-N -1 3 253.265 1.792 10 0 CDAEHM O=C([O-])[C@@H](NC[C@@H]1CCCO1)c1cc(F)c(F)c(F)c1 ZINC000062713533 527654756 /nfs/dbraw/zinc/65/47/56/527654756.db2.gz WTVCTAZQXDLNBG-UFBFGSQYSA-N -1 3 289.253 1.998 10 0 CDAEHM COCCN(C(=O)c1cccc([O-])c1)[C@H]1CCOC1 ZINC000428550403 536744624 /nfs/dbraw/zinc/74/46/24/536744624.db2.gz RNZFJSXGADNLRN-LBPRGKRZSA-N -1 3 265.309 1.270 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCC(OCCCO)CC1 ZINC000120208554 538215842 /nfs/dbraw/zinc/21/58/42/538215842.db2.gz OEUZFEVCNSJVOK-UHFFFAOYSA-N -1 3 279.336 1.396 10 0 CDAEHM O=C(OC[C@@H]1COCCO1)c1cc(Cl)c(Cl)[n-]1 ZINC000729105667 574718981 /nfs/dbraw/zinc/71/89/81/574718981.db2.gz IWURIRDRXWSLQH-LURJTMIESA-N -1 3 280.107 1.894 10 0 CDAEHM COc1ccc(OS(=O)(=O)c2cn[n-]c2C)c(C=O)c1 ZINC000732215077 575083400 /nfs/dbraw/zinc/08/34/00/575083400.db2.gz BMQDDNVXSAAIIU-UHFFFAOYSA-N -1 3 296.304 1.307 10 0 CDAEHM CCC[C@@H](C)c1noc(CN2CC(=O)[N-]C2=O)n1 ZINC000761845069 576597244 /nfs/dbraw/zinc/59/72/44/576597244.db2.gz QEEKOEWXUQBXTC-SSDOTTSWSA-N -1 3 252.274 1.025 10 0 CDAEHM CCCCCCNC(=O)CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000769753799 575380673 /nfs/dbraw/zinc/38/06/73/575380673.db2.gz DEGVJYRKOTWZLN-ZDUSSCGKSA-N -1 3 284.400 1.870 10 0 CDAEHM Cc1[n-]ncc1S(=O)(=O)Oc1ccc2cncnc2c1 ZINC000771811177 575616880 /nfs/dbraw/zinc/61/68/80/575616880.db2.gz CYURTCIRRMPMDR-UHFFFAOYSA-N -1 3 290.304 1.429 10 0 CDAEHM O=C(OCc1cc(=O)c([O-])co1)C1(C(F)(F)F)CC1 ZINC000736806190 575754065 /nfs/dbraw/zinc/75/40/65/575754065.db2.gz FJGCMUNEPCQEKT-UHFFFAOYSA-N -1 3 278.182 1.731 10 0 CDAEHM Cn1ccnc1C[N-]C(=O)C(F)(F)c1ccccc1F ZINC000765769876 576054508 /nfs/dbraw/zinc/05/45/08/576054508.db2.gz GLSOSWUEGIYLMX-UHFFFAOYSA-N -1 3 283.253 1.967 10 0 CDAEHM Cc1nc(C)c(CC(=O)Nc2nc3cc[nH]cc-3n2)c(=O)[n-]1 ZINC000760949892 576528386 /nfs/dbraw/zinc/52/83/86/576528386.db2.gz JYIJKJRHKFFODE-UHFFFAOYSA-N -1 3 298.306 1.252 10 0 CDAEHM CCOc1cc(C(=O)Nc2c[nH]nn2)cc(Cl)c1[O-] ZINC000763191514 576719507 /nfs/dbraw/zinc/71/95/07/576719507.db2.gz CLBLHUKRJXFQOX-UHFFFAOYSA-N -1 3 282.687 1.815 10 0 CDAEHM O=C(/C=C/C1CC1)OCC(=O)[N-]C(=O)c1cccs1 ZINC000745559568 576734541 /nfs/dbraw/zinc/73/45/41/576734541.db2.gz WARROKSNEKMTJO-AATRIKPKSA-N -1 3 279.317 1.514 10 0 CDAEHM CN1CCC[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000754038887 576874850 /nfs/dbraw/zinc/87/48/50/576874850.db2.gz OALFXWGKTGYQRK-GFCCVEGCSA-N -1 3 294.376 1.805 10 0 CDAEHM COCCO[N-]C(=O)Cc1c(C)cccc1Cl ZINC000754263474 576888821 /nfs/dbraw/zinc/88/88/21/576888821.db2.gz UEBZPGDJKQYADZ-UHFFFAOYSA-N -1 3 257.717 1.885 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2C[C@@H](C)OC(C)(C)C2)n1 ZINC000754800189 576916321 /nfs/dbraw/zinc/91/63/21/576916321.db2.gz VWUFNAUHLXPYET-SNVBAGLBSA-N -1 3 251.330 1.490 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CC[C@@H]([C@@H]3CCOC3)C2)n1 ZINC000750264075 576983221 /nfs/dbraw/zinc/98/32/21/576983221.db2.gz YOTWDOYUTQEALX-VXGBXAGGSA-N -1 3 263.341 1.349 10 0 CDAEHM C[C@@H]1CC(CCOC(=O)CN2CC(=O)[N-]C2=O)C[C@@H](C)C1 ZINC000757070140 577024034 /nfs/dbraw/zinc/02/40/34/577024034.db2.gz LQZOYLLDVAVCAM-QWRGUYRKSA-N -1 3 296.367 1.544 10 0 CDAEHM CCCN(C)S(=O)(=O)[N-][C@H](c1nc(C)no1)C(C)C ZINC000120543772 1175184076 /nfs/dbraw/zinc/18/40/76/1175184076.db2.gz SLUDJOWZYIFBNA-JTQLQIEISA-N -1 3 290.389 1.251 10 0 CDAEHM CC[C@](O)(CN1Cc2nc(C)[n-]c(=O)c2C1)C(F)(F)F ZINC000931312779 617704645 /nfs/dbraw/zinc/70/46/45/617704645.db2.gz XKKBBBRTLPXXCG-NSHDSACASA-N -1 3 291.273 1.510 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@@H]32)nn1 ZINC000866962720 620775897 /nfs/dbraw/zinc/77/58/97/620775897.db2.gz OCGOUBBFQAKIPJ-UTUOFQBUSA-N -1 3 297.380 1.021 10 0 CDAEHM CCc1ccc(C(=O)NC/C=C(/C)C(=O)OC)c([O-])c1 ZINC000927976255 618294468 /nfs/dbraw/zinc/29/44/68/618294468.db2.gz FKMZSZVGZAZVPJ-YFHOEESVSA-N -1 3 277.320 1.804 10 0 CDAEHM C[C@](CCF)(NCc1cc2n(n1)CCC2)C(=O)[O-] ZINC000901914920 618334757 /nfs/dbraw/zinc/33/47/57/618334757.db2.gz GTRFGGYZYOPKOA-GFCCVEGCSA-N -1 3 255.293 1.122 10 0 CDAEHM Cc1ccc2cc(CN3CC[C@@](O)(C(=O)[O-])C3)[nH]c2c1 ZINC000901902178 618352182 /nfs/dbraw/zinc/35/21/82/618352182.db2.gz NCYVEYWWZUVRBZ-HNNXBMFYSA-N -1 3 274.320 1.498 10 0 CDAEHM Cc1cc2n[n-]c(NC(=O)C3(F)CC3)c2c(=O)n1C ZINC000910651228 618380165 /nfs/dbraw/zinc/38/01/65/618380165.db2.gz PSDCHYANTFBAEF-UHFFFAOYSA-N -1 3 264.260 1.011 10 0 CDAEHM C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000910846428 618533095 /nfs/dbraw/zinc/53/30/95/618533095.db2.gz FBLFIIWLGOOBPH-XJGUIPMBSA-N -1 3 280.368 1.038 10 0 CDAEHM C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000910846426 618533483 /nfs/dbraw/zinc/53/34/83/618533483.db2.gz FBLFIIWLGOOBPH-DIACKHNESA-N -1 3 280.368 1.038 10 0 CDAEHM CCOC(=O)c1nnc([C@H](C)NCc2cccs2)[n-]1 ZINC000895235151 619474809 /nfs/dbraw/zinc/47/48/09/619474809.db2.gz LPPHPUMDGPYDOX-QMMMGPOBSA-N -1 3 280.353 1.894 10 0 CDAEHM CCOC(=O)c1nc([C@H](C)NCc2ccncc2)n[n-]1 ZINC000895237200 619480458 /nfs/dbraw/zinc/48/04/58/619480458.db2.gz RZAUALINJNNITC-VIFPVBQESA-N -1 3 275.312 1.227 10 0 CDAEHM CCOC(=O)c1nnc([C@H](C)NCc2ccncc2)[n-]1 ZINC000895237200 619480463 /nfs/dbraw/zinc/48/04/63/619480463.db2.gz RZAUALINJNNITC-VIFPVBQESA-N -1 3 275.312 1.227 10 0 CDAEHM CCOC(=O)c1n[n-]c([C@H](C)NCc2ccncc2)n1 ZINC000895237200 619480465 /nfs/dbraw/zinc/48/04/65/619480465.db2.gz RZAUALINJNNITC-VIFPVBQESA-N -1 3 275.312 1.227 10 0 CDAEHM COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1nc(C)ccc1[O-] ZINC000895861339 619869847 /nfs/dbraw/zinc/86/98/47/619869847.db2.gz DHEHJZOYHRBTLG-NWDGAFQWSA-N -1 3 294.351 1.296 10 0 CDAEHM C[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000897496771 620872910 /nfs/dbraw/zinc/87/29/10/620872910.db2.gz RJFTYQPNGBTLMI-SCZZXKLOSA-N -1 3 272.312 1.180 10 0 CDAEHM C[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000897496771 620872912 /nfs/dbraw/zinc/87/29/12/620872912.db2.gz RJFTYQPNGBTLMI-SCZZXKLOSA-N -1 3 272.312 1.180 10 0 CDAEHM COCc1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)o1 ZINC000898205311 621361844 /nfs/dbraw/zinc/36/18/44/621361844.db2.gz MQTJFPZMXLOHIM-SECBINFHSA-N -1 3 291.307 1.484 10 0 CDAEHM O=C(C[C@H]1CCCOC1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898220378 621372499 /nfs/dbraw/zinc/37/24/99/621372499.db2.gz AAXKEPSKPLPSGY-MNOVXSKESA-N -1 3 279.340 1.248 10 0 CDAEHM COC1(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)CCCC1 ZINC000898220486 621372948 /nfs/dbraw/zinc/37/29/48/621372948.db2.gz CMRJZFUSHNCATP-SNVBAGLBSA-N -1 3 279.340 1.390 10 0 CDAEHM CC(C)n1cnc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC000898220623 621372958 /nfs/dbraw/zinc/37/29/58/621372958.db2.gz AZXIIVGWTOMTND-JTQLQIEISA-N -1 3 289.339 1.522 10 0 CDAEHM O=C([C@H]1CCC(F)(F)C1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898222112 621410719 /nfs/dbraw/zinc/41/07/19/621410719.db2.gz SJFCFNKDDABYDI-DTWKUNHWSA-N -1 3 285.294 1.867 10 0 CDAEHM O=C([C@@H]1CCc2cccnc21)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898222947 621412311 /nfs/dbraw/zinc/41/23/11/621412311.db2.gz YCUKXGWIRCWCNS-VXGBXAGGSA-N -1 3 298.346 1.556 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)c2ncsc2C2CC2)n1 ZINC000898258142 621422657 /nfs/dbraw/zinc/42/26/57/621422657.db2.gz HILHOYRRYGCNTP-UHFFFAOYSA-N -1 3 290.348 1.755 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)C[C@H]2CC(C)(C)CO2)n1 ZINC000898258323 621423127 /nfs/dbraw/zinc/42/31/27/621423127.db2.gz KDSPVUVQKUZBBK-JTQLQIEISA-N -1 3 279.340 1.312 10 0 CDAEHM C[C@H](NCc1nncn1C)c1cc([O-])cc(F)c1 ZINC000924643878 621629347 /nfs/dbraw/zinc/62/93/47/621629347.db2.gz NZQIKZOBHYJPAF-QMMMGPOBSA-N -1 3 250.277 1.511 10 0 CDAEHM O=C(c1ccc([O-])c(F)c1)N1CC(N2CCCC2)C1 ZINC000898603274 621814749 /nfs/dbraw/zinc/81/47/49/621814749.db2.gz KISNPCFPJOQVFP-UHFFFAOYSA-N -1 3 264.300 1.452 10 0 CDAEHM COc1ccc([O-])c(C(=O)Nc2n[nH]c3c2COCC3)c1 ZINC000899259653 622132038 /nfs/dbraw/zinc/13/20/38/622132038.db2.gz RTCNLBQGQVBMIE-UHFFFAOYSA-N -1 3 289.291 1.449 10 0 CDAEHM CC1(C)CO[C@@H](CCNC(=O)c2cc(=O)[n-]cn2)C1 ZINC000899457635 622261307 /nfs/dbraw/zinc/26/13/07/622261307.db2.gz XRKMUFASPDMIAX-VIFPVBQESA-N -1 3 265.313 1.117 10 0 CDAEHM COc1nnc(NC(=O)C[C@H]2CCC(C)(C)CO2)[n-]1 ZINC000901286386 624114151 /nfs/dbraw/zinc/11/41/51/624114151.db2.gz IXERBUIKRHGGOQ-MRVPVSSYSA-N -1 3 268.317 1.347 10 0 CDAEHM COc1nc(NC(=O)C[C@H]2CCC(C)(C)CO2)n[n-]1 ZINC000901286386 624114152 /nfs/dbraw/zinc/11/41/52/624114152.db2.gz IXERBUIKRHGGOQ-MRVPVSSYSA-N -1 3 268.317 1.347 10 0 CDAEHM COc1n[n-]c(NC(=O)C[C@H]2CCC(C)(C)CO2)n1 ZINC000901286386 624114154 /nfs/dbraw/zinc/11/41/54/624114154.db2.gz IXERBUIKRHGGOQ-MRVPVSSYSA-N -1 3 268.317 1.347 10 0 CDAEHM CCC[C@](C)(NCc1cn(C[C@H]2CCOC2)nn1)C(=O)[O-] ZINC000901584305 624362856 /nfs/dbraw/zinc/36/28/56/624362856.db2.gz FCJDFZBIHUXKEB-RISCZKNCSA-N -1 3 296.371 1.048 10 0 CDAEHM CCn1ncc(CO[N-]C(=O)CCOc2ccccc2)n1 ZINC000902248915 624607041 /nfs/dbraw/zinc/60/70/41/624607041.db2.gz IEKXDFDANJWRMP-UHFFFAOYSA-N -1 3 290.323 1.315 10 0 CDAEHM Cc1cccn2c(CN3CC[C@H]4[C@@H](C3)[C@H]4C(=O)[O-])cnc12 ZINC000902553461 624942105 /nfs/dbraw/zinc/94/21/05/624942105.db2.gz FDNKEJCZBMSCSK-MJBXVCDLSA-N -1 3 285.347 1.795 10 0 CDAEHM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000908888391 628412505 /nfs/dbraw/zinc/41/25/05/628412505.db2.gz AQRWIDWOJIEXNN-YPMHNXCESA-N -1 3 297.399 1.364 10 0 CDAEHM CC(C)N(C)CC(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC000909873686 628720480 /nfs/dbraw/zinc/72/04/80/628720480.db2.gz JYPNCNKFTOHFML-SNVBAGLBSA-N -1 3 258.362 1.332 10 0 CDAEHM CC[C@@H](C(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1)N(C)C ZINC000909946602 628771011 /nfs/dbraw/zinc/77/10/11/628771011.db2.gz XMQGIPQSRJQKAX-STQMWFEESA-N -1 3 294.351 1.277 10 0 CDAEHM C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000910395056 629050100 /nfs/dbraw/zinc/05/01/00/629050100.db2.gz VDLXVOAOIBWQPJ-NFFDBFGFSA-N -1 3 294.395 1.715 10 0 CDAEHM CC(C)(C)C(=O)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911851874 629590688 /nfs/dbraw/zinc/59/06/88/629590688.db2.gz IBZMXNHOYRTTQV-MRVPVSSYSA-N -1 3 265.313 1.046 10 0 CDAEHM CC(C)(C)C=CC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000911853790 629592286 /nfs/dbraw/zinc/59/22/86/629592286.db2.gz DUVAVRQFPNRGEZ-SNAWJCMRSA-N -1 3 267.354 1.689 10 0 CDAEHM Cc1cnc(C(=O)N2CCN(C)[C@H](C(C)(C)C)C2)c([O-])c1 ZINC000912032664 629727709 /nfs/dbraw/zinc/72/77/09/629727709.db2.gz KJJVZMFCGRSPHL-ZDUSSCGKSA-N -1 3 291.395 1.898 10 0 CDAEHM Cc1cnccc1C=CC(=O)NCCCc1c[n-][nH]c1=O ZINC000912468996 630018534 /nfs/dbraw/zinc/01/85/34/630018534.db2.gz BBCJLVONZHAQOR-MUBLQREKSA-N -1 3 286.335 1.031 10 0 CDAEHM Cc1ccc(C(=O)N2CCC([C@H](F)C(N)=O)CC2)c([O-])c1 ZINC000913107883 630370315 /nfs/dbraw/zinc/37/03/15/630370315.db2.gz IHNLEJFXIYKWAD-ZDUSSCGKSA-N -1 3 294.326 1.376 10 0 CDAEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H]1CCO[C@H]1C1CC1)C2 ZINC000913295369 630439560 /nfs/dbraw/zinc/43/95/60/630439560.db2.gz SNKBCCFYFDSUPY-MFKMUULPSA-N -1 3 289.335 1.148 10 0 CDAEHM COc1cnc(F)c(C(=O)[N-]c2nnn(C(C)C)n2)c1 ZINC000913484067 630504002 /nfs/dbraw/zinc/50/40/02/630504002.db2.gz WXIKVNHJULLPDP-UHFFFAOYSA-N -1 3 280.263 1.049 10 0 CDAEHM COc1ncc(S(=O)(=O)[N-]C2(C3CC3)CCC2)s1 ZINC000919967654 632703423 /nfs/dbraw/zinc/70/34/23/632703423.db2.gz FJESIMVYEBYUIU-UHFFFAOYSA-N -1 3 288.394 1.763 10 0 CDAEHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1coc(CO)c1 ZINC001625915881 1159777794 /nfs/dbraw/zinc/77/77/94/1159777794.db2.gz HRYMHBGTYBPSOZ-UHFFFAOYSA-N -1 3 299.290 1.128 10 0 CDAEHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1coc(CO)c1 ZINC001625915881 1159777799 /nfs/dbraw/zinc/77/77/99/1159777799.db2.gz HRYMHBGTYBPSOZ-UHFFFAOYSA-N -1 3 299.290 1.128 10 0 CDAEHM O=C(NCc1cc2ccccc2[nH]c1=O)c1cc(=O)[n-]cn1 ZINC001607997195 1164368893 /nfs/dbraw/zinc/36/88/93/1164368893.db2.gz BKRWUQSXLGYHMU-UHFFFAOYSA-N -1 3 296.286 1.366 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccnc(C)c2)c1 ZINC001628037524 1166033785 /nfs/dbraw/zinc/03/37/85/1166033785.db2.gz RSTSCLZNYWCQQF-UHFFFAOYSA-N -1 3 299.330 1.984 10 0 CDAEHM CC(=Cc1ccccn1)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001628274032 1166059032 /nfs/dbraw/zinc/05/90/32/1166059032.db2.gz ANFCAEPPGWYYDW-ASCRHOAZSA-N -1 3 286.335 1.113 10 0 CDAEHM Cc1nonc1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC001632239284 1166337635 /nfs/dbraw/zinc/33/76/35/1166337635.db2.gz CHKRCVUZCARLQI-UHFFFAOYSA-N -1 3 267.672 1.918 10 0 CDAEHM O=C(Nc1cc(F)ccc1[O-])c1cnc2nccn2c1 ZINC001632243949 1166339533 /nfs/dbraw/zinc/33/95/33/1166339533.db2.gz VIRONGTXTWPVDM-UHFFFAOYSA-N -1 3 272.239 1.826 10 0 CDAEHM CCn1c(C)cc2n[n-]c(NC(=O)c3cccnc3)c2c1=O ZINC001651095923 1171287210 /nfs/dbraw/zinc/28/72/10/1171287210.db2.gz XSNNALJCOBKJJI-UHFFFAOYSA-N -1 3 297.318 1.700 10 0 CDAEHM CC(C)CN(Cc1nnn[n-]1)C(=O)c1cccc2c[nH]nc21 ZINC001651180606 1171298260 /nfs/dbraw/zinc/29/82/60/1171298260.db2.gz HMPBIKYYDMCCNS-UHFFFAOYSA-N -1 3 299.338 1.374 10 0 CDAEHM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cccc2c[nH]nc21 ZINC001651180606 1171298264 /nfs/dbraw/zinc/29/82/64/1171298264.db2.gz HMPBIKYYDMCCNS-UHFFFAOYSA-N -1 3 299.338 1.374 10 0 CDAEHM COc1cc(OC)nc(C(=O)[N-]c2ccsn2)n1 ZINC001597912917 1174298433 /nfs/dbraw/zinc/29/84/33/1174298433.db2.gz ZDCRTEMZMCXPDO-UHFFFAOYSA-N -1 3 266.282 1.203 10 0 CDAEHM CCc1noc([C@@H](C)N2C[C@H]3COCC[C@]3(C(=O)[O-])C2)n1 ZINC001771762516 1186863820 /nfs/dbraw/zinc/86/38/20/1186863820.db2.gz PHJRHWFANNPXHN-BFVZDQMLSA-N -1 3 295.339 1.116 10 0 CDAEHM COC(=O)Cc1n[n-]c(NC(=O)C(C)=Cc2ccco2)n1 ZINC001628595848 1166083009 /nfs/dbraw/zinc/08/30/09/1166083009.db2.gz IWGPQJOPMMIYRY-SOFGYWHQSA-N -1 3 290.279 1.155 10 0 CDAEHM COC(=O)Cc1nc(NC(=O)C(C)=Cc2ccco2)n[n-]1 ZINC001628595848 1166083016 /nfs/dbraw/zinc/08/30/16/1166083016.db2.gz IWGPQJOPMMIYRY-SOFGYWHQSA-N -1 3 290.279 1.155 10 0 CDAEHM O=C(Nc1ncc(Cl)s1)c1ns[n-]c1=O ZINC001629046658 1166112122 /nfs/dbraw/zinc/11/21/22/1166112122.db2.gz RGTVBFWTVULWJC-UHFFFAOYSA-N -1 3 262.703 1.606 10 0 CDAEHM CC(C)CC(=O)NCCNC(=O)c1ccccc1[O-] ZINC000048926012 1166512602 /nfs/dbraw/zinc/51/26/02/1166512602.db2.gz QXUHKCZZHUEOGS-UHFFFAOYSA-N -1 3 264.325 1.284 10 0 CDAEHM O=C(COC(=O)C1(F)CC1)[N-]C(=O)c1cccs1 ZINC000830777344 829275847 /nfs/dbraw/zinc/27/58/47/829275847.db2.gz CXNVCTMHWSOPNG-UHFFFAOYSA-N -1 3 271.269 1.050 10 0 CDAEHM Cc1cc(N(C)C)cc(C)c1CC(=O)[N-]OCC(C)(C)O ZINC000867858425 828822410 /nfs/dbraw/zinc/82/24/10/828822410.db2.gz BXNSNZMEBYJFHQ-UHFFFAOYSA-N -1 3 294.395 1.731 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](C(C)C)C2CC2)nn1 ZINC000867529342 833113063 /nfs/dbraw/zinc/11/30/63/833113063.db2.gz KOKKYPHGLUBHCT-GFCCVEGCSA-N -1 3 269.370 1.498 10 0 CDAEHM CC(=O)CCN1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879763854 833154628 /nfs/dbraw/zinc/15/46/28/833154628.db2.gz QYDKCANLCUJXEO-SNVBAGLBSA-N -1 3 266.263 1.108 10 0 CDAEHM Cc1cnc(CCCC(=O)[N-]OCCOC(C)C)o1 ZINC000857510012 833285457 /nfs/dbraw/zinc/28/54/57/833285457.db2.gz FDRYURKESGCTMS-UHFFFAOYSA-N -1 3 270.329 1.779 10 0 CDAEHM CCN1CC[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1=O ZINC000802375103 833298819 /nfs/dbraw/zinc/29/88/19/833298819.db2.gz FZBXDRDCXBBECR-CQSZACIVSA-N -1 3 298.342 1.896 10 0 CDAEHM Cn1nccc1CCC(=O)[N-]OC1CCCCC1 ZINC000777959882 833305145 /nfs/dbraw/zinc/30/51/45/833305145.db2.gz IEXOUZSSRRXILO-UHFFFAOYSA-N -1 3 251.330 1.733 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C(C)C)nn1 ZINC000867385659 828847854 /nfs/dbraw/zinc/84/78/54/828847854.db2.gz MGPFXNRTONOSEQ-VHSXEESVSA-N -1 3 255.343 1.108 10 0 CDAEHM CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@H](C(=O)[O-])[C@H]2C[C@H]21 ZINC000923198814 828878261 /nfs/dbraw/zinc/87/82/61/828878261.db2.gz WCJYNOFWWMYIDL-OBPIAQAESA-N -1 3 280.368 1.085 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C[C@@H]2C)nn1 ZINC000866784513 833328196 /nfs/dbraw/zinc/32/81/96/833328196.db2.gz XTAHGMULWAYJQK-JFGNBEQYSA-N -1 3 283.397 1.888 10 0 CDAEHM Cn1nc(Cl)c(C(=O)[N-]OC[C@H]2CCOC2)c1Cl ZINC000861246805 833345475 /nfs/dbraw/zinc/34/54/75/833345475.db2.gz BIOVTIYOBWXONH-LURJTMIESA-N -1 3 294.138 1.425 10 0 CDAEHM CCOc1nnc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)[n-]1 ZINC000228779333 829008880 /nfs/dbraw/zinc/00/88/80/829008880.db2.gz FKWRWPIYWBPGIT-SNVBAGLBSA-N -1 3 290.323 1.918 10 0 CDAEHM CCOc1nc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)n[n-]1 ZINC000228779333 829008894 /nfs/dbraw/zinc/00/88/94/829008894.db2.gz FKWRWPIYWBPGIT-SNVBAGLBSA-N -1 3 290.323 1.918 10 0 CDAEHM CCOc1n[n-]c(NC(=O)[C@@H](C)Oc2ccc(C)cc2)n1 ZINC000228779333 829008902 /nfs/dbraw/zinc/00/89/02/829008902.db2.gz FKWRWPIYWBPGIT-SNVBAGLBSA-N -1 3 290.323 1.918 10 0 CDAEHM CC(C)(F)C[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000867576995 829050672 /nfs/dbraw/zinc/05/06/72/829050672.db2.gz UDINOXHLNJGTKV-UHFFFAOYSA-N -1 3 275.349 1.246 10 0 CDAEHM CCc1onc(C)c1C[N-]S(=O)(=O)c1ccco1 ZINC000922033077 829068801 /nfs/dbraw/zinc/06/88/01/829068801.db2.gz GPPUKCQRLQSDDF-UHFFFAOYSA-N -1 3 270.310 1.617 10 0 CDAEHM [O-]C(Nn1cccn1)=C(C[C@@H]1CCCO1)C(F)(F)F ZINC000862769692 833370101 /nfs/dbraw/zinc/37/01/01/833370101.db2.gz LZIOGEMDICOAKL-DTWKUNHWSA-N -1 3 277.246 1.701 10 0 CDAEHM CC(C)(O)c1nnc([N-]Cc2cc3n(n2)CCCC3)o1 ZINC000846776094 833372312 /nfs/dbraw/zinc/37/23/12/833372312.db2.gz JJKKSIZPTUQBLI-UHFFFAOYSA-N -1 3 277.328 1.442 10 0 CDAEHM O=C([O-])[C@@]1(NCc2cocn2)CCc2ccccc2C1 ZINC000871066661 829252720 /nfs/dbraw/zinc/25/27/20/829252720.db2.gz VRYAIAUXSFINHL-OAHLLOKOSA-N -1 3 272.304 1.777 10 0 CDAEHM CC(=Cc1ccccn1)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000854487015 833410261 /nfs/dbraw/zinc/41/02/61/833410261.db2.gz FJAYFFPIILQWDY-LUAWRHEFSA-N -1 3 286.335 1.257 10 0 CDAEHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@@H](C)O)sc1Cl ZINC000344877768 829753083 /nfs/dbraw/zinc/75/30/83/829753083.db2.gz GVVLHTXAJQBLQZ-RNFRBKRXSA-N -1 3 283.802 1.758 10 0 CDAEHM CSc1nc(NC(=O)[C@@H]2C[C@]2(C)Br)n[n-]1 ZINC000858928919 829817975 /nfs/dbraw/zinc/81/79/75/829817975.db2.gz YIBMGUBMFQFPRE-NVNXEXLPSA-N -1 3 291.174 1.639 10 0 CDAEHM CC(C)[C@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC000109930708 829835571 /nfs/dbraw/zinc/83/55/71/829835571.db2.gz QWVNMJPGAHGBHW-VIFPVBQESA-N -1 3 259.309 1.697 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@]2(C)CCO[C@@H]2C)o1 ZINC000335993340 829849236 /nfs/dbraw/zinc/84/92/36/829849236.db2.gz DUHLUNHNZKJMSD-KOLCDFICSA-N -1 3 259.327 1.434 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)C[C@@H]2C)nn1 ZINC000866784512 829910593 /nfs/dbraw/zinc/91/05/93/829910593.db2.gz XTAHGMULWAYJQK-JBLDHEPKSA-N -1 3 283.397 1.888 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000866784397 829968764 /nfs/dbraw/zinc/96/87/64/829968764.db2.gz WDGZPKFAWRIBJP-NOTQWWDFSA-N -1 3 296.458 1.763 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H](O)C2CCCC2)nn1 ZINC000867930690 830036231 /nfs/dbraw/zinc/03/62/31/830036231.db2.gz FWFZJNMWBLQAFB-GFCCVEGCSA-N -1 3 299.396 1.005 10 0 CDAEHM COc1ncc(S(=O)(=O)[N-]C[C@]23C[C@H]2CCC3)s1 ZINC000921923112 830371197 /nfs/dbraw/zinc/37/11/97/830371197.db2.gz WZSWNCRXQVVFEY-KCJUWKMLSA-N -1 3 288.394 1.620 10 0 CDAEHM C[C@H](NC1CC1)C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000383327914 830374502 /nfs/dbraw/zinc/37/45/02/830374502.db2.gz JVXOWAYLUMRQQU-JTQLQIEISA-N -1 3 288.347 1.805 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CC3(CCC3)OC[C@H]2C)n1 ZINC000852444024 830589601 /nfs/dbraw/zinc/58/96/01/830589601.db2.gz 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ZINC000188497063 539150498 /nfs/dbraw/zinc/15/04/98/539150498.db2.gz JXOHMJAWBSGCLK-KOLCDFICSA-N -1 3 274.324 1.239 10 0 CDAEHM O=C(N[C@H]1CCCC[C@@H]1CO)c1cccc2[n-]nnc21 ZINC000188497063 539150499 /nfs/dbraw/zinc/15/04/99/539150499.db2.gz JXOHMJAWBSGCLK-KOLCDFICSA-N -1 3 274.324 1.239 10 0 CDAEHM O=C(N[C@H]1CCCC[C@@H]1CO)c1cccc2n[n-]nc21 ZINC000188497063 539150500 /nfs/dbraw/zinc/15/05/00/539150500.db2.gz JXOHMJAWBSGCLK-KOLCDFICSA-N -1 3 274.324 1.239 10 0 CDAEHM CN(Cc1nc(=O)c2sccc2[n-]1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038402 342292481 /nfs/dbraw/zinc/29/24/81/342292481.db2.gz JOOMNKMYEOEFMS-OCAPTIKFSA-N -1 3 292.364 1.093 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1CC2CCC1CC2)c1c[nH]cn1 ZINC000400119973 349699056 /nfs/dbraw/zinc/69/90/56/349699056.db2.gz OVYJOOBIOWFJNQ-ILDUYXDCSA-N -1 3 269.370 1.514 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1CCC(OCCCO)CC1 ZINC000626069603 342298578 /nfs/dbraw/zinc/29/85/78/342298578.db2.gz CFKWKECRRDCOTC-UHFFFAOYSA-N -1 3 293.363 1.704 10 0 CDAEHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@H](C)CO ZINC000077839268 342333604 /nfs/dbraw/zinc/33/36/04/342333604.db2.gz PAHAJTDUVFQDRH-RKDXNWHRSA-N -1 3 270.304 1.347 10 0 CDAEHM CC[C@@H](N)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000129538810 342354652 /nfs/dbraw/zinc/35/46/52/342354652.db2.gz XKKGKTVLADJIKP-GFCCVEGCSA-N -1 3 286.335 1.421 10 0 CDAEHM CC(C)(F)C[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC000632608947 362176507 /nfs/dbraw/zinc/17/65/07/362176507.db2.gz NKUCSISDITVOAK-UHFFFAOYSA-N -1 3 286.328 1.995 10 0 CDAEHM CCOC[C@H](C)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000139945502 342434045 /nfs/dbraw/zinc/43/40/45/342434045.db2.gz BRSCCBVNTQLIPQ-QMMMGPOBSA-N -1 3 291.307 1.117 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCC23CC3)nc1C ZINC000632613541 362195581 /nfs/dbraw/zinc/19/55/81/362195581.db2.gz PTGOUBRKTGSXNT-LLVKDONJSA-N -1 3 283.397 1.822 10 0 CDAEHM O=C(Nc1cccc2n[n-]nc21)[C@@H]1C[C@H]1C1CCOCC1 ZINC000640378838 362228820 /nfs/dbraw/zinc/22/88/20/362228820.db2.gz IJZQHJMJLMJRLT-WDEREUQCSA-N -1 3 286.335 1.959 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)[C@@H]2CC[C@H](OC)C2)[n-]1 ZINC000597565714 343573483 /nfs/dbraw/zinc/57/34/83/343573483.db2.gz XSHWSJRFELHBGQ-BDAKNGLRSA-N -1 3 281.312 1.340 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)[C@@H]2CC[C@H](OC)C2)c[n-]1 ZINC000597565714 343573485 /nfs/dbraw/zinc/57/34/85/343573485.db2.gz XSHWSJRFELHBGQ-BDAKNGLRSA-N -1 3 281.312 1.340 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CCO[C@]3(CCOC3)C2)c1 ZINC000274691320 365767459 /nfs/dbraw/zinc/76/74/59/365767459.db2.gz VADQJURKPYPVQU-OAHLLOKOSA-N -1 3 293.319 1.032 10 0 CDAEHM Cc1cn2c(n1)C[C@H](C(=O)NCc1ncccc1[O-])CC2 ZINC000626738382 346965561 /nfs/dbraw/zinc/96/55/61/346965561.db2.gz SDMJAYMKINWFPI-LLVKDONJSA-N -1 3 286.335 1.171 10 0 CDAEHM COC(=O)[C@@H]1O[C@@H](C(=O)[N-]c2onc(C)c2C)C[C@H]1C ZINC000602271879 344389024 /nfs/dbraw/zinc/38/90/24/344389024.db2.gz CWQGLLSBQIRPBM-BDODKLCJSA-N -1 3 282.296 1.197 10 0 CDAEHM Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)c([O-])c1 ZINC000618323930 362438239 /nfs/dbraw/zinc/43/82/39/362438239.db2.gz OVTVAHGYRGFNLS-WDEREUQCSA-N -1 3 297.376 1.396 10 0 CDAEHM COC[C@]1(C(=O)[O-])CCN(Cc2cccc(F)c2)C1 ZINC000311736750 344819991 /nfs/dbraw/zinc/81/99/91/344819991.db2.gz RDBSFGLBZGJPKE-AWEZNQCLSA-N -1 3 267.300 1.749 10 0 CDAEHM CCN1CCC[C@@H]1CNc1ncncc1C(=O)[O-] ZINC000302310711 344854986 /nfs/dbraw/zinc/85/49/86/344854986.db2.gz GHJOHFPETURCBQ-SECBINFHSA-N -1 3 250.302 1.071 10 0 CDAEHM CO[C@@H](CNC(=O)c1cc([O-])ccc1Cl)[C@@H]1CCOC1 ZINC000617131926 344917150 /nfs/dbraw/zinc/91/71/50/344917150.db2.gz GUWSIWAOUVVRGS-RNCFNFMXSA-N -1 3 299.754 1.827 10 0 CDAEHM Cn1cc(CCNC(=O)c2ccc3c(c2[O-])CCCC3)cn1 ZINC000273241037 192084390 /nfs/dbraw/zinc/08/43/90/192084390.db2.gz AEYDIYSYIVGQCL-UHFFFAOYSA-N -1 3 299.374 1.977 10 0 CDAEHM CCc1cc(C(=O)NCC[C@H](COC)OC)ccc1[O-] ZINC000617242058 345060406 /nfs/dbraw/zinc/06/04/06/345060406.db2.gz RYNZJISRWPCUBP-CYBMUJFWSA-N -1 3 281.352 1.736 10 0 CDAEHM CC(=O)Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000095133236 345115208 /nfs/dbraw/zinc/11/52/08/345115208.db2.gz NNVJPHULRXJXBD-UHFFFAOYSA-N -1 3 271.202 1.844 10 0 CDAEHM CC(=O)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000095133236 345115212 /nfs/dbraw/zinc/11/52/12/345115212.db2.gz NNVJPHULRXJXBD-UHFFFAOYSA-N -1 3 271.202 1.844 10 0 CDAEHM CCc1cc(=NC(=O)c2cnc3ccc(C)cn3c2=O)[n-]o1 ZINC000606884984 345103067 /nfs/dbraw/zinc/10/30/67/345103067.db2.gz ASFUJPBDGBXGHA-UHFFFAOYSA-N -1 3 298.302 1.228 10 0 CDAEHM COc1nc(C(=O)N2CCCc3cccc([O-])c32)co1 ZINC000626319081 345252592 /nfs/dbraw/zinc/25/25/92/345252592.db2.gz WWPROSLBDQFJEL-UHFFFAOYSA-N -1 3 274.276 1.982 10 0 CDAEHM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000338884882 297240390 /nfs/dbraw/zinc/24/03/90/297240390.db2.gz TZYPVGZWCUWXRT-GMTAPVOTSA-N -1 3 292.383 1.755 10 0 CDAEHM Cc1ccc([O-])c(CNCc2ccc3oc(=O)n(C)c3c2)n1 ZINC000623742786 345448941 /nfs/dbraw/zinc/44/89/41/345448941.db2.gz CFWZLHGPVVKZLM-UHFFFAOYSA-N -1 3 299.330 1.830 10 0 CDAEHM Cc1cc(C(=O)N[C@H]2C[C@H](C)n3ncnc32)ccc1[O-] ZINC000617442861 345539014 /nfs/dbraw/zinc/53/90/14/345539014.db2.gz RTADGEPPSRMLQQ-ONGXEEELSA-N -1 3 272.308 1.728 10 0 CDAEHM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@H]2NCCCC2(C)C)C1 ZINC000398790440 345584606 /nfs/dbraw/zinc/58/46/06/345584606.db2.gz KDSZIAKHCKTKOI-GRYCIOLGSA-N -1 3 282.384 1.334 10 0 CDAEHM O=S(=O)([N-]CC[C@@H](O)C(F)(F)F)c1ccsc1 ZINC000351926005 362654601 /nfs/dbraw/zinc/65/46/01/362654601.db2.gz HYKUQOIMMBLDAK-SSDOTTSWSA-N -1 3 289.300 1.340 10 0 CDAEHM CN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000085334517 179022456 /nfs/dbraw/zinc/02/24/56/179022456.db2.gz MMKUGNHCLMLQKH-RYUDHWBXSA-N -1 3 283.372 1.023 10 0 CDAEHM O=c1[n-]c(S[C@@H]2CCN(Cc3ccccc3)C2)n[nH]1 ZINC000413004610 362725282 /nfs/dbraw/zinc/72/52/82/362725282.db2.gz KPLBESDAFVOZOT-LLVKDONJSA-N -1 3 276.365 1.877 10 0 CDAEHM CCN1C(=O)Cc2cc([N-]S(C)(=O)=O)c(F)cc21 ZINC000584605519 346497840 /nfs/dbraw/zinc/49/78/40/346497840.db2.gz WEERGWRXWNYSAA-UHFFFAOYSA-N -1 3 272.301 1.106 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](O)C(F)(F)C2)c1 ZINC000617809949 346591562 /nfs/dbraw/zinc/59/15/62/346591562.db2.gz ZZQNKSTWYKTFPC-GFCCVEGCSA-N -1 3 285.290 1.797 10 0 CDAEHM Cn1cnnc1COCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000293480055 370651908 /nfs/dbraw/zinc/65/19/08/370651908.db2.gz VOLZSZMXWSTXQG-UHFFFAOYSA-N -1 3 296.714 1.329 10 0 CDAEHM CC(C)N(Cc1ccccc1)C(=O)[C@@H](N)CC(=O)[O-] ZINC000085811160 179177926 /nfs/dbraw/zinc/17/79/26/179177926.db2.gz RUSWYQRWIRFFJC-LBPRGKRZSA-N -1 3 264.325 1.226 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)Nc1cccc(Cl)c1F ZINC000085811569 179177956 /nfs/dbraw/zinc/17/79/56/179177956.db2.gz JXSLXIQWRIRBJC-LURJTMIESA-N -1 3 260.652 1.220 10 0 CDAEHM CCN(CC)c1ccc(NC(=O)[C@H](N)CC(=O)[O-])cc1 ZINC000085812811 179178272 /nfs/dbraw/zinc/17/82/72/179178272.db2.gz ZZXLAQXIKJHQSJ-GFCCVEGCSA-N -1 3 279.340 1.273 10 0 CDAEHM CCc1ccc([C@@H](C)NC(=O)[C@H](N)CCC(=O)[O-])cc1 ZINC000085819315 179181849 /nfs/dbraw/zinc/18/18/49/179181849.db2.gz GWQXUSHYOUMEDU-ZWNOBZJWSA-N -1 3 278.352 1.618 10 0 CDAEHM CSc1ccc([C@@H](C)NC(=O)[C@H](N)CCC(=O)[O-])cc1 ZINC000085819442 179181871 /nfs/dbraw/zinc/18/18/71/179181871.db2.gz BJZPYEKNXJLKSR-BXKDBHETSA-N -1 3 296.392 1.778 10 0 CDAEHM CC[C@H](NC(=O)[C@@H](N)CCC(=O)[O-])c1ccc(C)cc1 ZINC000085819539 179182748 /nfs/dbraw/zinc/18/27/48/179182748.db2.gz GPMKFOQNGHCMQW-STQMWFEESA-N -1 3 278.352 1.754 10 0 CDAEHM C[C@H](C1CC1)N(CC(F)(F)F)C(=O)[C@@H](N)CCC(=O)[O-] ZINC000085838813 179184550 /nfs/dbraw/zinc/18/45/50/179184550.db2.gz QTOBFLZQQWEIOR-APPZFPTMSA-N -1 3 296.289 1.368 10 0 CDAEHM CCOc1ccccc1CN(C)C(=O)[C@@H](N)CCC(=O)[O-] ZINC000085840170 179184872 /nfs/dbraw/zinc/18/48/72/179184872.db2.gz JIXVJBMMFAHYNO-LBPRGKRZSA-N -1 3 294.351 1.236 10 0 CDAEHM N[C@@H](CCC(=O)[O-])C(=O)N(Cc1ccco1)C1CCCC1 ZINC000085839057 179185154 /nfs/dbraw/zinc/18/51/54/179185154.db2.gz LGVIRPJORBMEKX-ZDUSSCGKSA-N -1 3 294.351 1.743 10 0 CDAEHM COc1ccc([C@H](NC(=O)[C@H](N)CC(=O)[O-])C2CC2)cc1 ZINC000085817546 179179923 /nfs/dbraw/zinc/17/99/23/179179923.db2.gz RUUHSGFFZNMBDY-TZMCWYRMSA-N -1 3 292.335 1.065 10 0 CDAEHM COc1ccccc1[C@H](C)N(C)C(=O)[C@H](N)CC(=O)[O-] ZINC000085815925 179180415 /nfs/dbraw/zinc/18/04/15/179180415.db2.gz UHSWRORVWPYAIR-GXSJLCMTSA-N -1 3 280.324 1.017 10 0 CDAEHM Cc1cc(C)c(NC(=O)[C@@H](N)CCC(=O)[O-])c(C)c1 ZINC000085818376 179180920 /nfs/dbraw/zinc/18/09/20/179180920.db2.gz YLIIVERBSPCUDM-NSHDSACASA-N -1 3 264.325 1.742 10 0 CDAEHM C[C@@H]1CC[C@H](NC(=O)N2CCCN(CC(=O)[O-])CC2)[C@@H]1C ZINC000086080298 179226892 /nfs/dbraw/zinc/22/68/92/179226892.db2.gz FMNLMBJZHPHEFO-UPJWGTAASA-N -1 3 297.399 1.223 10 0 CDAEHM CCc1nc(S(=O)(=O)[N-][C@H]2CC[C@@H](C)[C@@H]2C)c[nH]1 ZINC000086080877 179227064 /nfs/dbraw/zinc/22/70/64/179227064.db2.gz YSLDQQZWUKHSON-UTLUCORTSA-N -1 3 271.386 1.685 10 0 CDAEHM CCOCCOCCCC(=O)NCc1ncccc1[O-] ZINC000614256373 348059881 /nfs/dbraw/zinc/05/98/81/348059881.db2.gz ZDHGNBCGTNIVDS-UHFFFAOYSA-N -1 3 282.340 1.237 10 0 CDAEHM O=C(Cc1cncc([O-])c1)NC[C@@H]1C[C@H]1c1cccnc1 ZINC000614415146 348104833 /nfs/dbraw/zinc/10/48/33/348104833.db2.gz BQEJNWZPXZADJE-ZFWWWQNUSA-N -1 3 283.331 1.645 10 0 CDAEHM CCCC(C)(C)CC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614914199 348269659 /nfs/dbraw/zinc/26/96/59/348269659.db2.gz CBWBETQYHYMNKO-UHFFFAOYSA-N -1 3 267.373 1.975 10 0 CDAEHM NC(=O)[C@@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000273347097 192121574 /nfs/dbraw/zinc/12/15/74/192121574.db2.gz XLMASKVOHLFJFG-LLVKDONJSA-N -1 3 288.347 1.218 10 0 CDAEHM C[C@@H]1CCN(C(=O)c2cc(F)cc3[n-]nnc32)C[C@H](C)O1 ZINC000619117123 348362992 /nfs/dbraw/zinc/36/29/92/348362992.db2.gz RPUWXWCCZAWPJL-BDAKNGLRSA-N -1 3 292.314 1.737 10 0 CDAEHM C[C@@H]1CCN(C(=O)c2cc(F)cc3nn[n-]c32)C[C@H](C)O1 ZINC000619117123 348362994 /nfs/dbraw/zinc/36/29/94/348362994.db2.gz RPUWXWCCZAWPJL-BDAKNGLRSA-N -1 3 292.314 1.737 10 0 CDAEHM C[C@@H]1CCN(C(=O)c2cc(F)cc3n[n-]nc32)C[C@H](C)O1 ZINC000619117123 348362997 /nfs/dbraw/zinc/36/29/97/348362997.db2.gz RPUWXWCCZAWPJL-BDAKNGLRSA-N -1 3 292.314 1.737 10 0 CDAEHM O=c1[nH]c(-c2cnn(Cc3ccccc3)c2)ccc1[O-] ZINC000145365122 348743119 /nfs/dbraw/zinc/74/31/19/348743119.db2.gz JYTMPJQQWIVNAA-UHFFFAOYSA-N -1 3 267.288 1.992 10 0 CDAEHM CC(C)[C@](C)(O)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022095 349248962 /nfs/dbraw/zinc/24/89/62/349248962.db2.gz BXTPVKHWJOPJNU-INIZCTEOSA-N -1 3 288.347 1.964 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2C[C@@H](C)C(O)[C@H](C)C2)c1 ZINC000618263123 349418288 /nfs/dbraw/zinc/41/82/88/349418288.db2.gz BKSFRZNWLPZDPR-NXEZZACHSA-N -1 3 279.336 1.490 10 0 CDAEHM COc1cccc(-c2c[nH]c(=O)[n-]c2=O)c1Cl ZINC000090554888 180003785 /nfs/dbraw/zinc/00/37/85/180003785.db2.gz DMWBZRUWLFZPIC-UHFFFAOYSA-N -1 3 252.657 1.392 10 0 CDAEHM CC(C)(C)[C@H]1CCN(C(=O)c2cc(F)c[n-]c2=O)C[C@H]1O ZINC000621943481 350878477 /nfs/dbraw/zinc/87/84/77/350878477.db2.gz CYARBCIZMJHABV-NWDGAFQWSA-N -1 3 296.342 1.795 10 0 CDAEHM COc1cc(=NC(=O)COCc2ccccc2C)[n-]n1C ZINC000621958394 350891220 /nfs/dbraw/zinc/89/12/20/350891220.db2.gz GJMARJNDNCBPQX-UHFFFAOYSA-N -1 3 289.335 1.314 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2nccc(C)n2)o1 ZINC000622041589 350948294 /nfs/dbraw/zinc/94/82/94/350948294.db2.gz DWEAJNHYWIUOLQ-SNVBAGLBSA-N -1 3 281.337 1.726 10 0 CDAEHM O=C(N[C@H]1C[C@H](O)C12CCC2)c1c([O-])cccc1O ZINC000622175005 351054321 /nfs/dbraw/zinc/05/43/21/351054321.db2.gz WBJVKWASQHJVGD-QWRGUYRKSA-N -1 3 263.293 1.131 10 0 CDAEHM CCc1cc(C(=O)N2CCN(CCO)[C@@H](C)C2)ccc1[O-] ZINC000487460813 366058015 /nfs/dbraw/zinc/05/80/15/366058015.db2.gz KZIHVOVMMFDHFU-LBPRGKRZSA-N -1 3 292.379 1.093 10 0 CDAEHM O=C(N[C@H]1CC12CCOCC2)c1cc([O-])ccc1F ZINC000333967341 295842012 /nfs/dbraw/zinc/84/20/12/295842012.db2.gz RWXNOLIDFXKXDX-LBPRGKRZSA-N -1 3 265.284 1.830 10 0 CDAEHM O=C([O-])[C@H]1CCCN(C[C@@H](O)c2ccc3c(c2)OCO3)C1 ZINC000062355184 363186718 /nfs/dbraw/zinc/18/67/18/363186718.db2.gz UNMJZGQKSRJWRS-NWDGAFQWSA-N -1 3 293.319 1.245 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](C)OCc2ccccc2)[n-]1 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CCn1c(C)nnc1CO[N-]C(=O)Cc1ccc(C)cc1 ZINC000180370604 357266230 /nfs/dbraw/zinc/26/62/30/357266230.db2.gz MFHSQZPIHVDFCV-UHFFFAOYSA-N -1 3 288.351 1.705 10 0 CDAEHM CCc1nc2n(n1)CCC[C@H]2[N-]C(=O)C(C)(Cl)Cl ZINC000181760357 357378858 /nfs/dbraw/zinc/37/88/58/357378858.db2.gz RKTMSKLPHBUSKJ-SSDOTTSWSA-N -1 3 291.182 1.985 10 0 CDAEHM COCCOCCNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185442377 357542911 /nfs/dbraw/zinc/54/29/11/357542911.db2.gz JFLZLFIYCXPKOF-UHFFFAOYSA-N -1 3 293.363 1.664 10 0 CDAEHM COCC(COC)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000456236796 363589239 /nfs/dbraw/zinc/58/92/39/363589239.db2.gz RNOUEQFKXSNUTR-UHFFFAOYSA-N -1 3 293.363 1.662 10 0 CDAEHM CO[C@@H]1COCC[C@H]1CC(=O)Nc1ccccc1[O-] ZINC000294357222 199010793 /nfs/dbraw/zinc/01/07/93/199010793.db2.gz BNMIFLLBWMJIIN-GXFFZTMASA-N -1 3 265.309 1.772 10 0 CDAEHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000188540697 357909815 /nfs/dbraw/zinc/90/98/15/357909815.db2.gz SZQSXIUESATSAD-JGVFFNPUSA-N -1 3 279.308 1.667 10 0 CDAEHM COC(=O)CCCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000188799904 357937947 /nfs/dbraw/zinc/93/79/47/357937947.db2.gz ADGCGUJLEJLJLD-UHFFFAOYSA-N -1 3 294.233 1.495 10 0 CDAEHM COC(=O)CCCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000188799904 357937949 /nfs/dbraw/zinc/93/79/49/357937949.db2.gz ADGCGUJLEJLJLD-UHFFFAOYSA-N -1 3 294.233 1.495 10 0 CDAEHM COC(=O)c1ccc(C(=O)Nc2cn(C)nc2C2CC2)[n-]1 ZINC000294821471 199198135 /nfs/dbraw/zinc/19/81/35/199198135.db2.gz VMIXZEKLLRCFJH-UHFFFAOYSA-N -1 3 288.307 1.665 10 0 CDAEHM C[C@H]1C[C@H](N=c2[n-]c(Br)cs2)CO1 ZINC000402021932 358386522 /nfs/dbraw/zinc/38/65/22/358386522.db2.gz FOKHLSORRNYWBP-WDSKDSINSA-N -1 3 263.160 1.917 10 0 CDAEHM C[C@H]1C[C@@H](C(=O)N2CCCc3cccc([O-])c32)CC(=O)N1 ZINC000408206016 358401516 /nfs/dbraw/zinc/40/15/16/358401516.db2.gz ZQVVKRVJMZHBBN-CMPLNLGQSA-N -1 3 288.347 1.586 10 0 CDAEHM CCOC(=O)CC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000089880891 358441951 /nfs/dbraw/zinc/44/19/51/358441951.db2.gz JJXXBVACUJQQAT-SNVBAGLBSA-N -1 3 265.309 1.854 10 0 CDAEHM CO[C@H]1C[C@@H](CNC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000629825078 363612017 /nfs/dbraw/zinc/61/20/17/363612017.db2.gz AWOPGEMJLGCJHS-PHIMTYICSA-N -1 3 286.331 1.683 10 0 CDAEHM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccccc1[O-] ZINC000042439072 358945018 /nfs/dbraw/zinc/94/50/18/358945018.db2.gz WNEKWUDBEXNGTR-ZJUUUORDSA-N -1 3 262.309 1.118 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-]C[C@@]2(C)CCC(=O)N2)c1 ZINC000335224649 359064255 /nfs/dbraw/zinc/06/42/55/359064255.db2.gz OEZBKGDCVNTKSJ-LLVKDONJSA-N -1 3 288.394 1.004 10 0 CDAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2[C@@H](C)C[C@@H]2C)c(C)o1 ZINC000335259332 359132485 /nfs/dbraw/zinc/13/24/85/359132485.db2.gz OOZJTDVHUYSCTG-YUMQZZPRSA-N -1 3 286.353 1.119 10 0 CDAEHM Cc1cccc(C(=O)N2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1[O-] ZINC000618263678 359422252 /nfs/dbraw/zinc/42/22/52/359422252.db2.gz KNPQVFZOUPPJKY-PJXYFTJBSA-N -1 3 263.337 1.790 10 0 CDAEHM CN(C)CCNC(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000365569875 359549721 /nfs/dbraw/zinc/54/97/21/359549721.db2.gz 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ZINC000424423185 360051105 /nfs/dbraw/zinc/05/11/05/360051105.db2.gz UNHOQDYFKJBNRY-ZANVPECISA-N -1 3 264.325 1.781 10 0 CDAEHM CCCc1cc(=NC(=O)c2cc(F)cc3[n-]nnc32)[nH][nH]1 ZINC000337514175 360202091 /nfs/dbraw/zinc/20/20/91/360202091.db2.gz UDCCBMSHIZEDSE-UHFFFAOYSA-N -1 3 288.286 1.447 10 0 CDAEHM CCCc1cc(=NC(=O)c2cc(F)cc3nn[n-]c32)[nH][nH]1 ZINC000337514175 360202096 /nfs/dbraw/zinc/20/20/96/360202096.db2.gz UDCCBMSHIZEDSE-UHFFFAOYSA-N -1 3 288.286 1.447 10 0 CDAEHM CCCc1cc(=NC(=O)c2cc(F)cc3n[n-]nc32)[nH][nH]1 ZINC000337514175 360202101 /nfs/dbraw/zinc/20/21/01/360202101.db2.gz UDCCBMSHIZEDSE-UHFFFAOYSA-N -1 3 288.286 1.447 10 0 CDAEHM Cn1ccc(S(=O)(=O)[N-]C(C)(C)C2CCC2)n1 ZINC000335404089 360223240 /nfs/dbraw/zinc/22/32/40/360223240.db2.gz SQQHRBVXYGVNTD-UHFFFAOYSA-N -1 3 257.359 1.277 10 0 CDAEHM CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000634845043 360282951 /nfs/dbraw/zinc/28/29/51/360282951.db2.gz YHOPJZWNCVJIJD-MXWKQRLJSA-N -1 3 282.384 1.332 10 0 CDAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CNC3CC3)cc2)n1 ZINC000644048333 363718447 /nfs/dbraw/zinc/71/84/47/363718447.db2.gz QRQCHIFMSDJBPL-UHFFFAOYSA-N -1 3 298.346 1.436 10 0 CDAEHM Cn1ccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1 ZINC000336542633 363721237 /nfs/dbraw/zinc/72/12/37/363721237.db2.gz KOPBSUVBQUIEGH-NSHDSACASA-N -1 3 260.297 1.274 10 0 CDAEHM CC(C)(C)c1ccc(NC(=O)CS(C)(=O)=O)c([O-])c1 ZINC000337650325 360314126 /nfs/dbraw/zinc/31/41/26/360314126.db2.gz JTGWZXXIYTXYNP-UHFFFAOYSA-N -1 3 285.365 1.673 10 0 CDAEHM COc1cc(C(=O)NCC(C)(C)F)cc(OC)c1[O-] ZINC000633723611 360355891 /nfs/dbraw/zinc/35/58/91/360355891.db2.gz STYSLSGYERZMJM-UHFFFAOYSA-N -1 3 271.288 1.887 10 0 CDAEHM C[C@H](O)CCN(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000123328660 360626959 /nfs/dbraw/zinc/62/69/59/360626959.db2.gz PIOCQBBEWJPQRW-JTQLQIEISA-N -1 3 274.320 1.371 10 0 CDAEHM CC[C@@](NC(=O)c1cccc([O-])c1)(C(N)=O)C(C)C ZINC000180288058 189248565 /nfs/dbraw/zinc/24/85/65/189248565.db2.gz ZLEUAJGISKMFJD-AWEZNQCLSA-N -1 3 264.325 1.412 10 0 CDAEHM CCNC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)o1)C(C)C ZINC000432301271 361137910 /nfs/dbraw/zinc/13/79/10/361137910.db2.gz IPIFXXPHPSDLTD-NSHDSACASA-N -1 3 288.369 1.027 10 0 CDAEHM CCC(F)(F)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000628846979 361198141 /nfs/dbraw/zinc/19/81/41/361198141.db2.gz XRZZDIYARMLXFS-UHFFFAOYSA-N -1 3 254.240 1.733 10 0 CDAEHM C[C@@H](F)CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000339031504 361225343 /nfs/dbraw/zinc/22/53/43/361225343.db2.gz DCSJREZUVIWMNP-SSDOTTSWSA-N -1 3 267.272 1.991 10 0 CDAEHM O=C(NC[C@H]1CCC[C@@H]1O)c1cc([O-])ccc1Cl ZINC000236548708 361343786 /nfs/dbraw/zinc/34/37/86/361343786.db2.gz RSPRVBZYWJGELN-PELKAZGASA-N -1 3 269.728 1.936 10 0 CDAEHM CC(C)(C)C[C@@H](O)CC(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000644060702 363752181 /nfs/dbraw/zinc/75/21/81/363752181.db2.gz UMQCKBBCJVPSCS-JTQLQIEISA-N -1 3 293.367 1.254 10 0 CDAEHM Cc1cc(C(=O)N2CCO[C@H](C3CC3)C2)ccc1[O-] ZINC000336585131 363780952 /nfs/dbraw/zinc/78/09/52/363780952.db2.gz JMNPIQRPMNKKJP-AWEZNQCLSA-N -1 3 261.321 1.952 10 0 CDAEHM COc1cc(=NC(=O)N2CC[C@H](C(C)C)C2)[n-]n1C ZINC000547515221 361434984 /nfs/dbraw/zinc/43/49/84/361434984.db2.gz KWPQMSCKTMMQFI-JTQLQIEISA-N -1 3 266.345 1.360 10 0 CDAEHM O=C(NCC[C@H](O)C(F)(F)F)c1ccccc1[O-] ZINC000436496265 361523261 /nfs/dbraw/zinc/52/32/61/361523261.db2.gz PEFYGWHJLNDFBU-VIFPVBQESA-N -1 3 263.215 1.435 10 0 CDAEHM COC[C@@H](C(N)=O)N(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436937706 361615011 /nfs/dbraw/zinc/61/50/11/361615011.db2.gz ZQLXSTOUOVYERC-LBPRGKRZSA-N -1 3 294.351 1.088 10 0 CDAEHM CCN(C(=O)CN1CC(=O)[N-]C1=O)c1cc(C)cc(C)c1 ZINC000134580821 361621387 /nfs/dbraw/zinc/62/13/87/361621387.db2.gz GCGWTRQFXQXDOE-UHFFFAOYSA-N -1 3 289.335 1.208 10 0 CDAEHM COc1cccc(C(=O)N[C@H]2CO[C@@H](C3CC3)C2)c1[O-] ZINC000629138814 361635706 /nfs/dbraw/zinc/63/57/06/361635706.db2.gz JKCNPCKBZTYIMG-ZWNOBZJWSA-N -1 3 277.320 1.698 10 0 CDAEHM Cc1cccc(C(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)c1[O-] ZINC000629214982 361733554 /nfs/dbraw/zinc/73/35/54/361733554.db2.gz TXIRZPMSBUCDLP-AOOOYVTPSA-N -1 3 262.309 1.037 10 0 CDAEHM CC[C@@H](NC(=O)c1ccc2c(c1[O-])CCCC2)C(=O)NC ZINC000457050513 363882416 /nfs/dbraw/zinc/88/24/16/363882416.db2.gz MLQUJIAZZNTBQC-CYBMUJFWSA-N -1 3 290.363 1.525 10 0 CDAEHM C/C=C/C[C@@H]1CCCN(C(=O)c2cn(C)c(=O)[n-]c2=O)C1 ZINC000629875949 363966590 /nfs/dbraw/zinc/96/65/90/363966590.db2.gz AMOGRWPPOAPMCQ-PGLGOXFNSA-N -1 3 291.351 1.304 10 0 CDAEHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)[C@H](C)CO)cc1F ZINC000269732054 364323777 /nfs/dbraw/zinc/32/37/77/364323777.db2.gz COWRKWHZLMBWLH-RKDXNWHRSA-N -1 3 293.335 1.568 10 0 CDAEHM COc1cc(C(=O)N[C@H]2CCCC[C@H]2O)ccc1[O-] ZINC000082286337 364314440 /nfs/dbraw/zinc/31/44/40/364314440.db2.gz RSVIARCQYCUPID-WDEREUQCSA-N -1 3 265.309 1.434 10 0 CDAEHM COc1cc(C(=O)N[C@@H]2CCOC[C@@H]2C)ccc1[O-] ZINC000278414183 366855465 /nfs/dbraw/zinc/85/54/65/366855465.db2.gz FORLZUQQZIPPGL-GXSJLCMTSA-N -1 3 265.309 1.556 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2C[C@H](O)C3(CC3)C2)cc1[O-] ZINC000412265652 240123650 /nfs/dbraw/zinc/12/36/50/240123650.db2.gz XHZWUZYLRWQWOQ-ZDUSSCGKSA-N -1 3 275.304 1.192 10 0 CDAEHM O=C(NC[C@@H](CO)c1ccccc1)c1cccc2nn[n-]c21 ZINC000188345665 365193770 /nfs/dbraw/zinc/19/37/70/365193770.db2.gz OROULHFNORSCEE-LBPRGKRZSA-N -1 3 296.330 1.464 10 0 CDAEHM O=C(NC[C@@H](CO)c1ccccc1)c1cccc2[n-]nnc21 ZINC000188345665 365193775 /nfs/dbraw/zinc/19/37/75/365193775.db2.gz OROULHFNORSCEE-LBPRGKRZSA-N -1 3 296.330 1.464 10 0 CDAEHM O=C(NC[C@@H](CO)c1ccccc1)c1cccc2n[n-]nc21 ZINC000188345665 365193779 /nfs/dbraw/zinc/19/37/79/365193779.db2.gz OROULHFNORSCEE-LBPRGKRZSA-N -1 3 296.330 1.464 10 0 CDAEHM Cc1cc(C(=O)N2CCC(C(=O)N(C)C)CC2)ccc1[O-] ZINC000272493830 365263371 /nfs/dbraw/zinc/26/33/71/365263371.db2.gz RYLMNJMXAAGQDS-UHFFFAOYSA-N -1 3 290.363 1.641 10 0 CDAEHM Cc1cc(C(=O)NCC(=O)NC2CCCCC2)ccc1[O-] ZINC000354450558 365485743 /nfs/dbraw/zinc/48/57/43/365485743.db2.gz UDNKJKNMWJGQQD-UHFFFAOYSA-N -1 3 290.363 1.879 10 0 CDAEHM CC(C)Oc1ncccc1C(=O)NCc1ncccc1[O-] ZINC000357469069 367017231 /nfs/dbraw/zinc/01/72/31/367017231.db2.gz NHJSPCBLUGBFHD-UHFFFAOYSA-N -1 3 287.319 1.899 10 0 CDAEHM Cc1cc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)ccc1[O-] ZINC000279632225 367073315 /nfs/dbraw/zinc/07/33/15/367073315.db2.gz ZFAOSDPKJGBNLJ-OAHLLOKOSA-N -1 3 274.320 1.053 10 0 CDAEHM CCN1CCC[C@H]1CNS(=O)(=O)c1cccc([O-])c1 ZINC000130544227 367421116 /nfs/dbraw/zinc/42/11/16/367421116.db2.gz OGSIHXDCYZDDPZ-NSHDSACASA-N -1 3 284.381 1.155 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C2CCC(OC)CC2)c1 ZINC000416544802 242046172 /nfs/dbraw/zinc/04/61/72/242046172.db2.gz PHVNHKRKAOTBDJ-UHFFFAOYSA-N -1 3 287.385 1.139 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H](C)O[C@H]2C)o1 ZINC000416587614 242063292 /nfs/dbraw/zinc/06/32/92/242063292.db2.gz AFOGATWGNKHKAD-DCAQKATOSA-N -1 3 273.354 1.680 10 0 CDAEHM CNC(=O)[C@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000234356277 367608028 /nfs/dbraw/zinc/60/80/28/367608028.db2.gz XYUJSWYTQDQLIF-LLVKDONJSA-N -1 3 282.727 1.396 10 0 CDAEHM C[C@]1(Br)C[C@@H]1C(=O)Nc1ccncc1[O-] 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CCc1c[n-]c(S(=O)(=O)Cc2cnc(OC)nc2C)n1 ZINC000542152483 368738312 /nfs/dbraw/zinc/73/83/12/368738312.db2.gz AYBHGDGLWKUIEQ-UHFFFAOYSA-N -1 3 296.352 1.053 10 0 CDAEHM CCc1cc(C(=O)Nc2ccc(C(N)=O)nc2)ccc1[O-] ZINC000362913131 369123126 /nfs/dbraw/zinc/12/31/26/369123126.db2.gz PLONZBKPVYTZPE-UHFFFAOYSA-N -1 3 285.303 1.701 10 0 CDAEHM CCc1cc(C[N-]S(=O)(=O)c2ccccc2N)on1 ZINC000545227108 369169161 /nfs/dbraw/zinc/16/91/61/369169161.db2.gz CIAXJNRSEWXAIH-UHFFFAOYSA-N -1 3 281.337 1.298 10 0 CDAEHM COCCCO[N-]C(=O)CCC(=O)c1cccc(F)c1 ZINC000287654772 369268487 /nfs/dbraw/zinc/26/84/87/369268487.db2.gz COIDFXVHIPIPAL-UHFFFAOYSA-N -1 3 283.299 1.873 10 0 CDAEHM CCN(C(=O)C(=O)[O-])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000364194400 284138904 /nfs/dbraw/zinc/13/89/04/284138904.db2.gz AQCFWFPWMNJKLU-TZMCWYRMSA-N -1 3 290.363 1.755 10 0 CDAEHM COc1cc(=NC(=O)N(C)[C@H](C)c2cccnc2)[n-]n1C ZINC000547515726 369575983 /nfs/dbraw/zinc/57/59/83/369575983.db2.gz HJNOSKZDJRSLMI-SNVBAGLBSA-N -1 3 289.339 1.471 10 0 CDAEHM COc1cc(=NC(=O)c2cnn(C(C)(C)C)c2)[n-]n1C ZINC000547493260 369568966 /nfs/dbraw/zinc/56/89/66/369568966.db2.gz REHDXKLXWFWPHN-UHFFFAOYSA-N -1 3 277.328 1.054 10 0 CDAEHM COc1cc(=NC(=O)NCCC2(C)CC2)[n-]n1C ZINC000548395533 369840995 /nfs/dbraw/zinc/84/09/95/369840995.db2.gz MOKJJFSHRAQGLO-UHFFFAOYSA-N -1 3 252.318 1.162 10 0 CDAEHM CC[C@H]1C[C@H](C)CN1C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000548493943 369876513 /nfs/dbraw/zinc/87/65/13/369876513.db2.gz WRWHNENHYKJPDY-UWVGGRQHSA-N -1 3 266.345 1.503 10 0 CDAEHM COc1cc(=NC(=O)N2[C@H](C)CC[C@@H]2C)[n-]n1C ZINC000548494722 369876976 /nfs/dbraw/zinc/87/69/76/369876976.db2.gz VGOFQJQVGMLQGG-DTORHVGOSA-N -1 3 252.318 1.255 10 0 CDAEHM NC(=O)[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(F)cc1 ZINC000137126895 369914018 /nfs/dbraw/zinc/91/40/18/369914018.db2.gz LGYLSFZPXFPZBU-ZDUSSCGKSA-N -1 3 288.278 1.488 10 0 CDAEHM COCCC1(C)CN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000291224987 370218670 /nfs/dbraw/zinc/21/86/70/370218670.db2.gz NENKNEDHMIAMIV-UHFFFAOYSA-N -1 3 274.324 1.457 10 0 CDAEHM O=S(=O)(Cc1ccc(CO)cc1)c1nc2c([n-]1)CCC2 ZINC000565575291 370479252 /nfs/dbraw/zinc/47/92/52/370479252.db2.gz QPEMECAQYOYJQI-UHFFFAOYSA-N -1 3 292.360 1.365 10 0 CDAEHM CC[C@H](C)C[C@H]([N-]S(=O)(=O)CCC(C)C)C(=O)OC ZINC000567779012 371145046 /nfs/dbraw/zinc/14/50/46/371145046.db2.gz VCQFRXRUHAMINO-RYUDHWBXSA-N -1 3 293.429 1.930 10 0 CDAEHM O=S(=O)(C[C@H]1CCCC1(F)F)[N-]Cc1nccs1 ZINC000295225186 371158786 /nfs/dbraw/zinc/15/87/86/371158786.db2.gz RUCQGLNPDBOGIU-MRVPVSSYSA-N -1 3 296.364 1.998 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-]CC(F)(F)C(C)(C)C)cn1 ZINC000660106676 412787772 /nfs/dbraw/zinc/78/77/72/412787772.db2.gz HNYKAHFJIQKLQF-UHFFFAOYSA-N -1 3 295.355 1.863 10 0 CDAEHM CCC[C@@H](C)[C@H](CO)NC(=O)c1cccc([O-])c1 ZINC000572968621 371366518 /nfs/dbraw/zinc/36/65/18/371366518.db2.gz QYFOSALOYJYDDI-MFKMUULPSA-N -1 3 251.326 1.919 10 0 CDAEHM CC[C@H](C)C[C@H]([N-]S(=O)(=O)C1(C)CC1)C(=O)OC ZINC000582483966 372322944 /nfs/dbraw/zinc/32/29/44/372322944.db2.gz 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/nfs/dbraw/zinc/33/11/69/483331169.db2.gz UCPDGCASSWEICK-UHFFFAOYSA-N -1 3 285.354 1.606 10 0 CDAEHM Cn1cc([C@H](NCc2cccc3c2CCC3)C(=O)[O-])cn1 ZINC000649507060 397789747 /nfs/dbraw/zinc/78/97/47/397789747.db2.gz JLIFMSAQNCHWOS-HNNXBMFYSA-N -1 3 285.347 1.824 10 0 CDAEHM CC(C)n1cnc([N-]C(=O)c2cnn3cccnc23)n1 ZINC000650278600 397846201 /nfs/dbraw/zinc/84/62/01/397846201.db2.gz KMMQCBAVWFGJKW-UHFFFAOYSA-N -1 3 271.284 1.154 10 0 CDAEHM O=S(=O)([N-]C1CCC(OC(F)F)CC1)c1c[nH]cn1 ZINC000650294907 397861547 /nfs/dbraw/zinc/86/15/47/397861547.db2.gz GPZJRGFJFDJVTO-UHFFFAOYSA-N -1 3 295.311 1.238 10 0 CDAEHM O=S(=O)([N-][C@H]1CO[C@@H](C2CC2)C1)c1ccccc1F ZINC000625576026 397959934 /nfs/dbraw/zinc/95/99/34/397959934.db2.gz BADDOOOWBGEDGX-ZYHUDNBSSA-N -1 3 285.340 1.672 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-]C[C@@H](C)C1CC1 ZINC000649686137 397897715 /nfs/dbraw/zinc/89/77/15/397897715.db2.gz ALIXAPNRYVDRLD-SNVBAGLBSA-N -1 3 284.381 1.805 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)[n-]1 ZINC000179361914 148110183 /nfs/dbraw/zinc/11/01/83/148110183.db2.gz CRSUBULINDBKMY-VXNVDRBHSA-N -1 3 294.261 1.834 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)n[n-]1 ZINC000179361914 148110187 /nfs/dbraw/zinc/11/01/87/148110187.db2.gz CRSUBULINDBKMY-VXNVDRBHSA-N -1 3 294.261 1.834 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)n1 ZINC000179361914 148110190 /nfs/dbraw/zinc/11/01/90/148110190.db2.gz CRSUBULINDBKMY-VXNVDRBHSA-N -1 3 294.261 1.834 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](C)OC2CCCCCC2)[n-]1 ZINC000179703831 148131081 /nfs/dbraw/zinc/13/10/81/148131081.db2.gz NUGUSFXGVQEAGL-SECBINFHSA-N -1 3 282.344 1.880 10 0 CDAEHM COc1nc(NC(=O)[C@@H](C)OC2CCCCCC2)n[n-]1 ZINC000179703831 148131082 /nfs/dbraw/zinc/13/10/82/148131082.db2.gz NUGUSFXGVQEAGL-SECBINFHSA-N -1 3 282.344 1.880 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](C)OC2CCCCCC2)n1 ZINC000179703831 148131087 /nfs/dbraw/zinc/13/10/87/148131087.db2.gz NUGUSFXGVQEAGL-SECBINFHSA-N -1 3 282.344 1.880 10 0 CDAEHM CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ncccc1[O-] ZINC000180996306 148172971 /nfs/dbraw/zinc/17/29/71/148172971.db2.gz NHHJGARMEQJGBY-JTQLQIEISA-N -1 3 277.324 1.373 10 0 CDAEHM NC(=O)CCN(Cc1ccccc1)C(=O)c1cccc([O-])c1 ZINC000181842788 148228274 /nfs/dbraw/zinc/22/82/74/148228274.db2.gz KXJKAZOAWBVCDA-UHFFFAOYSA-N -1 3 298.342 1.910 10 0 CDAEHM Cc1nnnn1-c1cccc(NC(=O)c2cccc([O-])c2)c1 ZINC000181964278 148232950 /nfs/dbraw/zinc/23/29/50/148232950.db2.gz DKPVBIKXFFLAKP-UHFFFAOYSA-N -1 3 295.302 1.929 10 0 CDAEHM COCCn1ccc(NC(=O)c2cccc([O-])c2)n1 ZINC000182289127 148252288 /nfs/dbraw/zinc/25/22/88/148252288.db2.gz NDZGALUKTQEEFT-UHFFFAOYSA-N -1 3 261.281 1.487 10 0 CDAEHM Cc1ccccc1CC(=O)NCc1ncccc1[O-] ZINC000352500546 155231070 /nfs/dbraw/zinc/23/10/70/155231070.db2.gz KKILDMRMNSIZLC-UHFFFAOYSA-N -1 3 256.305 1.955 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1cc(-n2ccnc2)ccn1 ZINC000352506203 155235602 /nfs/dbraw/zinc/23/56/02/155235602.db2.gz FLGRGWLYMXHPLF-UHFFFAOYSA-N -1 3 295.302 1.298 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](C)C2)o1 ZINC000335951079 151143252 /nfs/dbraw/zinc/14/32/52/151143252.db2.gz IHULIUSJVJGIDJ-ZJUUUORDSA-N -1 3 259.327 1.434 10 0 CDAEHM C[C@H]1CC[C@@H]1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000336143325 151307817 /nfs/dbraw/zinc/30/78/17/151307817.db2.gz HWTFTCIARXRMQA-CABZTGNLSA-N -1 3 282.365 1.586 10 0 CDAEHM CC[C@@H](C(=O)Nc1n[n-]c(OC)n1)c1c(C)noc1C ZINC000352643045 155320285 /nfs/dbraw/zinc/32/02/85/155320285.db2.gz HWCHLJNTTUSQSI-MRVPVSSYSA-N -1 3 279.300 1.550 10 0 CDAEHM CC[C@@H](C(=O)Nc1nnc(OC)[n-]1)c1c(C)noc1C ZINC000352643045 155320290 /nfs/dbraw/zinc/32/02/90/155320290.db2.gz HWCHLJNTTUSQSI-MRVPVSSYSA-N -1 3 279.300 1.550 10 0 CDAEHM CC[C@@H](C(=O)Nc1nc(OC)n[n-]1)c1c(C)noc1C ZINC000352643045 155320293 /nfs/dbraw/zinc/32/02/93/155320293.db2.gz HWCHLJNTTUSQSI-MRVPVSSYSA-N -1 3 279.300 1.550 10 0 CDAEHM Cc1cc(CCNC(=O)c2ccc3n[n-]nc3c2)on1 ZINC000343101467 152032468 /nfs/dbraw/zinc/03/24/68/152032468.db2.gz COPMBEWYILQZCT-UHFFFAOYSA-N -1 3 271.280 1.227 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@@H]2CSC[C@H]2C)sc1C ZINC000343636584 152252118 /nfs/dbraw/zinc/25/21/18/152252118.db2.gz UKUGGPNKUBWIFD-HTRCEHHLSA-N -1 3 272.395 1.823 10 0 CDAEHM O=C(NCc1ncccc1[O-])Nc1cnn(CC(F)F)c1 ZINC000344012939 152388652 /nfs/dbraw/zinc/38/86/52/152388652.db2.gz NOFUEAFDNISDOT-UHFFFAOYSA-N -1 3 297.265 1.571 10 0 CDAEHM COc1nc(NC(=O)[C@H](O)[C@@H](C)c2ccc(C)cc2)n[n-]1 ZINC000352675224 155351109 /nfs/dbraw/zinc/35/11/09/155351109.db2.gz AVBWHMBAFMRFFM-GXSJLCMTSA-N -1 3 290.323 1.225 10 0 CDAEHM COc1nnc(NC(=O)[C@H](O)[C@@H](C)c2ccc(C)cc2)[n-]1 ZINC000352675224 155351110 /nfs/dbraw/zinc/35/11/10/155351110.db2.gz AVBWHMBAFMRFFM-GXSJLCMTSA-N -1 3 290.323 1.225 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H](O)[C@@H](C)c2ccc(C)cc2)n1 ZINC000352675224 155351112 /nfs/dbraw/zinc/35/11/12/155351112.db2.gz AVBWHMBAFMRFFM-GXSJLCMTSA-N -1 3 290.323 1.225 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)C2CCCC2)c1 ZINC000353385898 155822255 /nfs/dbraw/zinc/82/22/55/155822255.db2.gz UVZLTAFMRXCGER-JTQLQIEISA-N -1 3 271.386 1.760 10 0 CDAEHM COc1nc(NC(=O)CCc2cccc3c2OCO3)n[n-]1 ZINC000353777661 156077670 /nfs/dbraw/zinc/07/76/70/156077670.db2.gz LZICJCUZMRVRNL-UHFFFAOYSA-N -1 3 290.279 1.113 10 0 CDAEHM COc1nnc(NC(=O)CCc2cccc3c2OCO3)[n-]1 ZINC000353777661 156077672 /nfs/dbraw/zinc/07/76/72/156077672.db2.gz LZICJCUZMRVRNL-UHFFFAOYSA-N -1 3 290.279 1.113 10 0 CDAEHM COc1n[n-]c(NC(=O)CCc2cccc3c2OCO3)n1 ZINC000353777661 156077677 /nfs/dbraw/zinc/07/76/77/156077677.db2.gz LZICJCUZMRVRNL-UHFFFAOYSA-N -1 3 290.279 1.113 10 0 CDAEHM CC[C@@](C)(OC)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000358917915 158071011 /nfs/dbraw/zinc/07/10/11/158071011.db2.gz XJHFPPQMPQUFDI-CQSZACIVSA-N -1 3 289.339 1.544 10 0 CDAEHM CC[C@@](C)(OC)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000358917915 158071013 /nfs/dbraw/zinc/07/10/13/158071013.db2.gz XJHFPPQMPQUFDI-CQSZACIVSA-N -1 3 289.339 1.544 10 0 CDAEHM CCCn1cc(C(=O)N=c2[nH][n-]c(CC)c2C)cn1 ZINC000359562416 158288622 /nfs/dbraw/zinc/28/86/22/158288622.db2.gz RRGWCBPJYGAOIE-UHFFFAOYSA-N -1 3 261.329 1.561 10 0 CDAEHM C/C=C/C[C@H]([N-]S(=O)(=O)CCCC)C(=O)OCC ZINC000361407746 158837135 /nfs/dbraw/zinc/83/71/35/158837135.db2.gz HAJSNAQSGMLLIB-ZPMKCOPCSA-N -1 3 277.386 1.604 10 0 CDAEHM CCc1cc(C(=O)NC2(CC(N)=O)CCC2)ccc1[O-] ZINC000362932280 159271040 /nfs/dbraw/zinc/27/10/40/159271040.db2.gz VUUJWCBWASBCJC-UHFFFAOYSA-N -1 3 276.336 1.483 10 0 CDAEHM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2cccc([O-])c2)CC1=O ZINC000364697107 159372964 /nfs/dbraw/zinc/37/29/64/159372964.db2.gz DAEOQPIBMXWKLM-SUZMYJTESA-N -1 3 274.320 1.131 10 0 CDAEHM CC[C@@H]1CN(C(=O)c2cccc([O-])c2)C[C@@]2(CCOC2)O1 ZINC000373668381 160219554 /nfs/dbraw/zinc/21/95/54/160219554.db2.gz MZGIZEXULSFMJT-GDBMZVCRSA-N -1 3 291.347 1.802 10 0 CDAEHM O=C(c1cc(=O)c2ccccc2[n-]1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000377920580 160604332 /nfs/dbraw/zinc/60/43/32/160604332.db2.gz WMMNKGXDNUHIFH-PHIMTYICSA-N -1 3 284.315 1.532 10 0 CDAEHM COc1cc(C(=O)COC(=O)c2cccnc2)ccc1[O-] ZINC000005732737 170135112 /nfs/dbraw/zinc/13/51/12/170135112.db2.gz FELGAPTYPKHPJC-UHFFFAOYSA-N -1 3 287.271 1.836 10 0 CDAEHM Cc1nn(CCN2CCCCC2)c(C)c1C(=O)[O-] ZINC000011920463 170459049 /nfs/dbraw/zinc/45/90/49/170459049.db2.gz DWZIDLAJSWJJGH-UHFFFAOYSA-N -1 3 251.330 1.684 10 0 CDAEHM NC(=S)Nc1ccc([O-])c(-c2nn3cnnc3s2)c1 ZINC000020436261 171201937 /nfs/dbraw/zinc/20/19/37/171201937.db2.gz GZKJUDCBTKKDSH-UHFFFAOYSA-N -1 3 292.349 1.214 10 0 CDAEHM COc1ccc([N-]S(=O)(=O)c2cccc(CN)c2)cc1 ZINC000022216979 171375851 /nfs/dbraw/zinc/37/58/51/171375851.db2.gz QCONISXOKSCGRJ-UHFFFAOYSA-N -1 3 292.360 1.955 10 0 CDAEHM C[C@H]1Cc2ccccc2N1C(=O)CNCCC(=O)[O-] ZINC000035386114 172167830 /nfs/dbraw/zinc/16/78/30/172167830.db2.gz JRAFXDXHNHEPMB-JTQLQIEISA-N -1 3 262.309 1.029 10 0 CDAEHM C[C@@H](NCC(=O)Nc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000035388436 172170990 /nfs/dbraw/zinc/17/09/90/172170990.db2.gz QTFOXYQBZRWNEI-ZCFIWIBFSA-N -1 3 291.134 1.995 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCN2C(C)(C)C)o1 ZINC000657035553 413858366 /nfs/dbraw/zinc/85/83/66/413858366.db2.gz UZOOOADTKXAESR-LLVKDONJSA-N -1 3 286.397 1.739 10 0 CDAEHM Cc1cc([N-]C(=O)[C@@H](C)N2CCO[C@@](C)(C3CC3)C2)on1 ZINC000661171730 413860587 /nfs/dbraw/zinc/86/05/87/413860587.db2.gz XMCGYZFGPDSVCI-IAQYHMDHSA-N -1 3 293.367 1.811 10 0 CDAEHM CN1CCC[C@H]1CNC(=O)C1(C(=O)[O-])CCCCCC1 ZINC000663102142 413929530 /nfs/dbraw/zinc/92/95/30/413929530.db2.gz LQHBRNCDWRZRNM-LBPRGKRZSA-N -1 3 282.384 1.622 10 0 CDAEHM CN1CCC[C@@H](NC(=O)[C@@H](C(=O)[O-])C2CCCC2)C1 ZINC000663101937 413929624 /nfs/dbraw/zinc/92/96/24/413929624.db2.gz MYOPWLSVJRRQAA-NEPJUHHUSA-N -1 3 268.357 1.088 10 0 CDAEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC000657105463 413934041 /nfs/dbraw/zinc/93/40/41/413934041.db2.gz CDYIOLGJTQITSY-MGCOHNPYSA-N -1 3 274.342 1.137 10 0 CDAEHM C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000663108133 413941478 /nfs/dbraw/zinc/94/14/78/413941478.db2.gz QDAGUULAXAJNOQ-XHBSWPGZSA-N -1 3 296.411 1.866 10 0 CDAEHM C[C@@H](CNC(=O)NC[C@@H](C(=O)[O-])C1CCC1)N(C)C1CC1 ZINC000665304443 414048914 /nfs/dbraw/zinc/04/89/14/414048914.db2.gz AKPFGUMZZAUICB-GXFFZTMASA-N -1 3 297.399 1.269 10 0 CDAEHM O=C1[N-]C(=O)c2cc(Nc3nsnc3Cl)ccc21 ZINC000037372053 173160857 /nfs/dbraw/zinc/16/08/57/173160857.db2.gz OXKAOIHCOFKWDV-UHFFFAOYSA-N -1 3 280.696 1.819 10 0 CDAEHM CCCCC[C@@H](C)[N-]S(=O)(=O)c1cn(C)nc1N ZINC000037559615 173270774 /nfs/dbraw/zinc/27/07/74/173270774.db2.gz RBQQCZMZTJWOAY-SECBINFHSA-N -1 3 274.390 1.249 10 0 CDAEHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1cscn1 ZINC000661643628 414247560 /nfs/dbraw/zinc/24/75/60/414247560.db2.gz PARLHHYSBIRXOI-MRVPVSSYSA-N -1 3 278.337 1.804 10 0 CDAEHM CCN(CCC(=O)[O-])CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000038024167 174007299 /nfs/dbraw/zinc/00/72/99/174007299.db2.gz WWBZZGDVUYOXKF-TXEJJXNPSA-N -1 3 270.373 1.288 10 0 CDAEHM CCC[C@@H](C)NC(=O)[C@@H](C)N(CC)CCC(=O)[O-] ZINC000038025104 174009075 /nfs/dbraw/zinc/00/90/75/174009075.db2.gz SVDAQDJWRUKNCN-GHMZBOCLSA-N -1 3 258.362 1.476 10 0 CDAEHM CCN(CCC(=O)[O-])CC(=O)N[C@@H](C)c1ccco1 ZINC000038025133 174009148 /nfs/dbraw/zinc/00/91/48/174009148.db2.gz KVCUJSIXXLZAHO-JTQLQIEISA-N -1 3 268.313 1.253 10 0 CDAEHM CCC(CC)NC(=O)[C@H](C)N(CC)CCC(=O)[O-] ZINC000038025103 174009264 /nfs/dbraw/zinc/00/92/64/174009264.db2.gz KKMVUSHLQILAFI-JTQLQIEISA-N -1 3 258.362 1.476 10 0 CDAEHM CC[C@@H](C)N[C@@]1(C(=O)[O-])COc2cc(O)ccc21 ZINC000038065912 174077097 /nfs/dbraw/zinc/07/70/97/174077097.db2.gz IRXYJJMMGMWWRX-OQPBUACISA-N -1 3 251.282 1.453 10 0 CDAEHM Nc1ccc(OCCN2CCCCC2)cc1C(=O)[O-] ZINC000040240272 174212917 /nfs/dbraw/zinc/21/29/17/174212917.db2.gz HFSQZRYRWXDAAE-UHFFFAOYSA-N -1 3 264.325 1.832 10 0 CDAEHM NC(=S)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000040349574 174244022 /nfs/dbraw/zinc/24/40/22/174244022.db2.gz FJFSQCBJXNTQIZ-UHFFFAOYSA-N -1 3 298.311 1.270 10 0 CDAEHM CC[C@H](NC(=O)c1ccc(C)cc1[O-])C(N)=S ZINC000040353483 174245289 /nfs/dbraw/zinc/24/52/89/174245289.db2.gz DVFDEASAZACADV-VIFPVBQESA-N -1 3 252.339 1.495 10 0 CDAEHM Cc1oncc1C(=O)[N-]c1cc(S(N)(=O)=O)ccc1F ZINC000040381520 174250647 /nfs/dbraw/zinc/25/06/47/174250647.db2.gz CZILELZDQOBGHU-UHFFFAOYSA-N -1 3 299.283 1.022 10 0 CDAEHM CC(C)C[C@H](N)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000040479498 174283806 /nfs/dbraw/zinc/28/38/06/174283806.db2.gz ODLLYCPDKMKLCU-JTQLQIEISA-N -1 3 256.346 1.264 10 0 CDAEHM CC[C@@H](C)NCC(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000040480865 174284958 /nfs/dbraw/zinc/28/49/58/174284958.db2.gz CKIYUQLJNBQIIK-SNVBAGLBSA-N -1 3 276.336 1.662 10 0 CDAEHM CC[C@@H](N)C(=O)Nc1cc(OC)c(C(=O)[O-])cc1Cl ZINC000040482763 174286283 /nfs/dbraw/zinc/28/62/83/174286283.db2.gz MTHVVSMFTQBATN-MRVPVSSYSA-N -1 3 286.715 1.723 10 0 CDAEHM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H](N)Cc1ccccc1 ZINC000040485887 174288941 /nfs/dbraw/zinc/28/89/41/174288941.db2.gz FZCSADBWDFPQQT-WCQYABFASA-N -1 3 278.352 1.268 10 0 CDAEHM CCOc1ccc([C@@](C)(NCCOC)C(=O)[O-])cc1 ZINC000041734917 174620341 /nfs/dbraw/zinc/62/03/41/174620341.db2.gz JVXFBYDGNJPKFS-CQSZACIVSA-N -1 3 267.325 1.621 10 0 CDAEHM CC[C@@H](C)[C@@H](N)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000043413694 175037672 /nfs/dbraw/zinc/03/76/72/175037672.db2.gz NGPQQMPSVKMDBH-DGCLKSJQSA-N -1 3 284.400 1.901 10 0 CDAEHM Cc1nc(C)c([C@H](C)[NH2+][C@H](CC(C)C)C(=O)[O-])c(=O)[n-]1 ZINC000043434308 175044319 /nfs/dbraw/zinc/04/43/19/175044319.db2.gz RTFSRJSFQGUIRP-GXSJLCMTSA-N -1 3 281.356 1.537 10 0 CDAEHM CC(C)C[C@@H](NCc1ccc(C(N)=O)cc1F)C(=O)[O-] ZINC000043443103 175046936 /nfs/dbraw/zinc/04/69/36/175046936.db2.gz ZZJVNJAFZJCMDR-GFCCVEGCSA-N -1 3 282.315 1.514 10 0 CDAEHM C[C@@](N)(C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C1CC1 ZINC000043586299 175071565 /nfs/dbraw/zinc/07/15/65/175071565.db2.gz MLACOCPELQHWID-HZMBPMFUSA-N -1 3 268.357 1.217 10 0 CDAEHM CN1CCC[C@@H](CNC(=O)CC2(C(=O)[O-])CCCC2)C1 ZINC000044536276 175198529 /nfs/dbraw/zinc/19/85/29/175198529.db2.gz MINBQDGCCHVPRB-LBPRGKRZSA-N -1 3 282.384 1.480 10 0 CDAEHM CCC[C@](C)(NC(=O)NC[C@@H]1CCCN(C)C1)C(=O)[O-] ZINC000044560015 175204220 /nfs/dbraw/zinc/20/42/20/175204220.db2.gz NDKOLQAIKUNQLY-FZMZJTMJSA-N -1 3 285.388 1.271 10 0 CDAEHM CCC[C@@H](NC(=O)NC[C@H]1CCCCN1C)C(=O)[O-] ZINC000044565676 175208102 /nfs/dbraw/zinc/20/81/02/175208102.db2.gz FQGGTYZVRLKMPZ-GHMZBOCLSA-N -1 3 271.361 1.023 10 0 CDAEHM CC[C@H](C(=O)[O-])N(C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000044646091 175222604 /nfs/dbraw/zinc/22/26/04/175222604.db2.gz FLXWWRBMNQBDKA-NWDGAFQWSA-N -1 3 285.388 1.365 10 0 CDAEHM CCNCC(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000044651217 175224797 /nfs/dbraw/zinc/22/47/97/175224797.db2.gz BCPCODBZSBCGCT-UHFFFAOYSA-N -1 3 290.241 1.952 10 0 CDAEHM O=C([O-])c1ccccc1NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044681147 175229319 /nfs/dbraw/zinc/22/93/19/175229319.db2.gz RSVBZYFYIKNTOC-JTQLQIEISA-N -1 3 289.335 1.743 10 0 CDAEHM C[C@@H](CNC(=O)NC1(C(=O)[O-])CCCC1)N1CCCCC1 ZINC000045013392 175290486 /nfs/dbraw/zinc/29/04/86/175290486.db2.gz AMSVRPWWAGYJRM-LBPRGKRZSA-N -1 3 297.399 1.557 10 0 CDAEHM C[C@H](CNC(=O)N[C@H](C(=O)[O-])C1CCCCC1)N(C)C ZINC000045112137 175310416 /nfs/dbraw/zinc/31/04/16/175310416.db2.gz IKBNPAJAOJFZCZ-PWSUYJOCSA-N -1 3 285.388 1.269 10 0 CDAEHM CN(C[C@@](NC1CC1)(C(=O)[O-])c1ccccc1)C1CC1 ZINC000045264970 175338261 /nfs/dbraw/zinc/33/82/61/175338261.db2.gz RRFSDBURADSYLE-INIZCTEOSA-N -1 3 274.364 1.813 10 0 CDAEHM O=S(=O)([N-]CC(F)(F)F)c1ccc2c(c1)NCC2 ZINC000071100283 176033122 /nfs/dbraw/zinc/03/31/22/176033122.db2.gz XNFQKUXSUARLKW-UHFFFAOYSA-N -1 3 280.271 1.495 10 0 CDAEHM CCCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C)c(N)n1 ZINC000071206176 176080130 /nfs/dbraw/zinc/08/01/30/176080130.db2.gz ASMVNXLBHHGUGE-NXEZZACHSA-N -1 3 286.401 1.342 10 0 CDAEHM O=c1cc[nH]cc1S(=O)(=O)[N-]c1ccccc1 ZINC000071221062 176087006 /nfs/dbraw/zinc/08/70/06/176087006.db2.gz WRQPEEVQFXWCQE-UHFFFAOYSA-N -1 3 250.279 1.176 10 0 CDAEHM COc1cccc(C(=O)NC2=NCCS2)c1[O-] ZINC000078343133 177334136 /nfs/dbraw/zinc/33/41/36/177334136.db2.gz PVUCARBNTFWDEJ-UHFFFAOYSA-N -1 3 252.295 1.233 10 0 CDAEHM CCOC(=O)c1c[n-]c2c(cnn2Cc2ccccc2)c1=O ZINC000039311144 260172624 /nfs/dbraw/zinc/17/26/24/260172624.db2.gz OIESUURKYHDBRO-UHFFFAOYSA-N -1 3 297.314 1.950 10 0 CDAEHM CCOC(=O)c1cnc2n(Cc3ccccc3)[n-]cc-2c1=O ZINC000039311144 260172626 /nfs/dbraw/zinc/17/26/26/260172626.db2.gz OIESUURKYHDBRO-UHFFFAOYSA-N -1 3 297.314 1.950 10 0 CDAEHM COc1ccc(C(=O)N[C@@H]2COCC2(C)C)c([O-])c1 ZINC000313063377 260242704 /nfs/dbraw/zinc/24/27/04/260242704.db2.gz QDKUGXPOXMVPJG-GFCCVEGCSA-N -1 3 265.309 1.556 10 0 CDAEHM C[C@@H]1CCN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@@H]1O ZINC000221895931 262320524 /nfs/dbraw/zinc/32/05/24/262320524.db2.gz NAKQJJWQXCGLEA-YGRLFVJLSA-N -1 3 286.331 1.371 10 0 CDAEHM COc1cccc(C(=O)NCCC2(CO)CCC2)c1[O-] ZINC000652936899 423910860 /nfs/dbraw/zinc/91/08/60/423910860.db2.gz KDSSWJJUJHEFGB-UHFFFAOYSA-N -1 3 279.336 1.683 10 0 CDAEHM CCc1cc(C(=O)NCC[C@]2(O)CCOC2)ccc1[O-] ZINC000652801522 424223718 /nfs/dbraw/zinc/22/37/18/424223718.db2.gz OBCSYNCJVDMXIA-HNNXBMFYSA-N -1 3 279.336 1.226 10 0 CDAEHM O=C(COC1CCCC1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000519257529 265379560 /nfs/dbraw/zinc/37/95/60/265379560.db2.gz ILFZARMDRJOQDA-GFCCVEGCSA-N -1 3 279.340 1.581 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc3[n-]nnc32)C2(CCC2)CO1 ZINC000652880446 424436568 /nfs/dbraw/zinc/43/65/68/424436568.db2.gz CZKBRYWDZBHHIN-SNVBAGLBSA-N -1 3 286.335 1.742 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc3nn[n-]c32)C2(CCC2)CO1 ZINC000652880446 424436573 /nfs/dbraw/zinc/43/65/73/424436573.db2.gz CZKBRYWDZBHHIN-SNVBAGLBSA-N -1 3 286.335 1.742 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc3n[n-]nc32)C2(CCC2)CO1 ZINC000652880446 424436579 /nfs/dbraw/zinc/43/65/79/424436579.db2.gz CZKBRYWDZBHHIN-SNVBAGLBSA-N -1 3 286.335 1.742 10 0 CDAEHM CN(C[C@H](O)C(F)(F)F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000652474105 424471944 /nfs/dbraw/zinc/47/19/44/424471944.db2.gz ORYKYXNTQXBXSI-QWRGUYRKSA-N -1 3 291.269 1.537 10 0 CDAEHM O=C([O-])[C@]1(C(=O)N2CCN3CCC[C@H]3C2)CC=CCC1 ZINC000653303520 424533873 /nfs/dbraw/zinc/53/38/73/424533873.db2.gz QNHFRRJWRLKIJU-SWLSCSKDSA-N -1 3 278.352 1.104 10 0 CDAEHM COc1cccc(C(=O)N2C[C@H](C)C[C@@H](O)C2)c1[O-] ZINC000401533570 270376687 /nfs/dbraw/zinc/37/66/87/270376687.db2.gz JGGZUSCCOLRKCH-NXEZZACHSA-N -1 3 265.309 1.244 10 0 CDAEHM CCO[C@@]1(C)C[C@H]1NC(=O)c1cc(OC)ccc1[O-] ZINC000529850513 271051856 /nfs/dbraw/zinc/05/18/56/271051856.db2.gz AVKCBMLPMKAIBW-OCCSQVGLSA-N -1 3 265.309 1.698 10 0 CDAEHM O=C([O-])[C@H]1CCCCN1Cc1cc(CO)ccc1F ZINC000530162331 271119659 /nfs/dbraw/zinc/11/96/59/271119659.db2.gz WLMHOONZUQLHLX-CYBMUJFWSA-N -1 3 267.300 1.757 10 0 CDAEHM CO[C@@]1(C(=O)[O-])CCN(Cc2cccc3nsnc32)C1 ZINC000530171937 271129081 /nfs/dbraw/zinc/12/90/81/271129081.db2.gz SPWAXGWPEOCMLO-ZDUSSCGKSA-N -1 3 293.348 1.367 10 0 CDAEHM CO[C@@]1(C(=O)[O-])CCN(C[C@@H](O)c2ccc(C)cc2)C1 ZINC000530170790 271129534 /nfs/dbraw/zinc/12/95/34/271129534.db2.gz NDSJMHJNQUBQRG-HIFRSBDPSA-N -1 3 279.336 1.204 10 0 CDAEHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000295403034 278414824 /nfs/dbraw/zinc/41/48/24/278414824.db2.gz VSOIXFSWPZJJDD-NSHDSACASA-N -1 3 291.319 1.811 10 0 CDAEHM CC(C)C[C@H](CNC(=O)NC[C@H](C)N(C)C1CC1)C(=O)[O-] ZINC000220068270 279153957 /nfs/dbraw/zinc/15/39/57/279153957.db2.gz PDCCVIZWIDKFCC-NWDGAFQWSA-N -1 3 299.415 1.515 10 0 CDAEHM O=S(=O)([N-]CC[C@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000343990528 280652476 /nfs/dbraw/zinc/65/24/76/280652476.db2.gz JZFDODHCFPRALL-VIFPVBQESA-N -1 3 291.319 1.670 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](C2CC2)C2CCC2)c1 ZINC000520767696 281048952 /nfs/dbraw/zinc/04/89/52/281048952.db2.gz GMQDSAWVELDQRA-CYBMUJFWSA-N -1 3 283.397 1.760 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCCOC2)o1 ZINC000528449961 281234323 /nfs/dbraw/zinc/23/43/23/281234323.db2.gz NYHVZAHTUKKHCF-NSHDSACASA-N -1 3 273.354 1.683 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-]CC[C@H]2CC=CCC2)cn1C ZINC000528531193 281254520 /nfs/dbraw/zinc/25/45/20/281254520.db2.gz WTLYLIUCFLPENB-LBPRGKRZSA-N -1 3 283.397 1.753 10 0 CDAEHM COc1cccc(C(=O)N[C@H](C)c2nnc(C)o2)c1[O-] ZINC000532283164 281950421 /nfs/dbraw/zinc/95/04/21/281950421.db2.gz QCKYBQCLBAMMNZ-SSDOTTSWSA-N -1 3 277.280 1.583 10 0 CDAEHM COc1cc(=NC(=O)c2ccc(Cl)c(C#N)c2)[n-]n1C ZINC000547493807 289780617 /nfs/dbraw/zinc/78/06/17/289780617.db2.gz SIYCOFIVBBEZPK-UHFFFAOYSA-N -1 3 290.710 1.628 10 0 CDAEHM COCCC(C)(C)CNC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000547839050 289815326 /nfs/dbraw/zinc/81/53/26/289815326.db2.gz SLQYIONDUNTHHW-UHFFFAOYSA-N -1 3 284.360 1.035 10 0 CDAEHM CC1(C)SC[C@H]1NC(=O)NCc1ncccc1[O-] ZINC000549017574 289952296 /nfs/dbraw/zinc/95/22/96/289952296.db2.gz NRWUAZFMMVXEGM-SNVBAGLBSA-N -1 3 267.354 1.480 10 0 CDAEHM COc1nnc(NC(=O)c2ccc3c(c2)CCCC3=O)[n-]1 ZINC000551794663 290016898 /nfs/dbraw/zinc/01/68/98/290016898.db2.gz ISLQXNTYOHPUKJ-UHFFFAOYSA-N -1 3 286.291 1.585 10 0 CDAEHM COc1nc(NC(=O)c2ccc3c(c2)CCCC3=O)n[n-]1 ZINC000551794663 290016899 /nfs/dbraw/zinc/01/68/99/290016899.db2.gz ISLQXNTYOHPUKJ-UHFFFAOYSA-N -1 3 286.291 1.585 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc3c(c2)CCCC3=O)n1 ZINC000551794663 290016900 /nfs/dbraw/zinc/01/69/00/290016900.db2.gz ISLQXNTYOHPUKJ-UHFFFAOYSA-N -1 3 286.291 1.585 10 0 CDAEHM CCOCCOCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000552287034 290063784 /nfs/dbraw/zinc/06/37/84/290063784.db2.gz GGYGWSAIINBPAZ-UHFFFAOYSA-N -1 3 281.308 1.586 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-]CCC2(F)CCC2)nc1C ZINC000553916674 290139206 /nfs/dbraw/zinc/13/92/06/290139206.db2.gz LDSWIMKMNGFBDI-UHFFFAOYSA-N -1 3 289.376 1.772 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)Cc1ccc(C)s1 ZINC000555515188 290221107 /nfs/dbraw/zinc/22/11/07/290221107.db2.gz YDXQLMFGYQONEX-UHFFFAOYSA-N -1 3 279.321 1.747 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)Cc1ccc(C)s1 ZINC000555515188 290221110 /nfs/dbraw/zinc/22/11/10/290221110.db2.gz YDXQLMFGYQONEX-UHFFFAOYSA-N -1 3 279.321 1.747 10 0 CDAEHM COc1cc(=NC(=O)[C@H]2CCc3cccc(O)c32)[n-]n1C ZINC000556739433 290291509 /nfs/dbraw/zinc/29/15/09/290291509.db2.gz RJVKZIBCBVXKNX-JTQLQIEISA-N -1 3 287.319 1.225 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CC2CCC2)nc1=N ZINC000557521835 290349785 /nfs/dbraw/zinc/34/97/85/290349785.db2.gz XXPMYCALFYYHSQ-JTQLQIEISA-N -1 3 263.345 1.081 10 0 CDAEHM CCCc1[nH]ccc1C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000564817530 293421295 /nfs/dbraw/zinc/42/12/95/293421295.db2.gz NWUOXKXMCXBPEJ-UHFFFAOYSA-N -1 3 262.313 1.384 10 0 CDAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@H]1CC12CC2 ZINC000570446831 294240536 /nfs/dbraw/zinc/24/05/36/294240536.db2.gz GYTLGHPEBZGEJC-LBPRGKRZSA-N -1 3 299.330 1.161 10 0 CDAEHM CCc1cccc(C(=O)N[C@H](C(=O)NC)C(C)C)c1[O-] ZINC000570502891 294250402 /nfs/dbraw/zinc/25/04/02/294250402.db2.gz MRHQIEJZZDRYSW-LBPRGKRZSA-N -1 3 278.352 1.455 10 0 CDAEHM CN(CCOCC(=O)[O-])CCOc1ccc(Cl)cc1 ZINC000570933447 294336768 /nfs/dbraw/zinc/33/67/68/294336768.db2.gz HMBYIGRVGWDAIH-UHFFFAOYSA-N -1 3 287.743 1.752 10 0 CDAEHM CSCCCCC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000571170969 294382730 /nfs/dbraw/zinc/38/27/30/294382730.db2.gz BBEHDIBEPXQXTA-JTQLQIEISA-N -1 3 297.428 1.424 10 0 CDAEHM O=C(N[C@H]1CCC[C@@H](CO)C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000573137191 294761410 /nfs/dbraw/zinc/76/14/10/294761410.db2.gz GLSUPRGBYXWVFX-KOLCDFICSA-N -1 3 291.351 1.341 10 0 CDAEHM COc1cc(=NC(=O)N2CCOC[C@@H]2CC(C)C)[n-]n1C ZINC000574813507 295057995 /nfs/dbraw/zinc/05/79/95/295057995.db2.gz SSYWCWRWTVKFFT-NSHDSACASA-N -1 3 296.371 1.129 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-][C@H]2CCC23CCCC3)cn1C ZINC000335880442 302616835 /nfs/dbraw/zinc/61/68/35/302616835.db2.gz JZMIEGXQPUSCDY-NSHDSACASA-N -1 3 283.397 1.730 10 0 CDAEHM COC(=O)CCCCCNC(=O)c1csc(=O)[n-]1 ZINC000349397894 316119853 /nfs/dbraw/zinc/11/98/53/316119853.db2.gz AFSWDUARBFIFSH-UHFFFAOYSA-N -1 3 272.326 1.312 10 0 CDAEHM COc1cc(=NC(=O)Cc2c(C)cccc2Cl)[n-]n1C ZINC000563814377 316376293 /nfs/dbraw/zinc/37/62/93/316376293.db2.gz RXJGICXOVGJZJC-UHFFFAOYSA-N -1 3 293.754 1.994 10 0 CDAEHM O=c1[n-]cnc2c1CN(c1ncnc3ccccc31)CC2 ZINC000569539397 316798079 /nfs/dbraw/zinc/79/80/79/316798079.db2.gz SAYOEOGSUCEXSQ-UHFFFAOYSA-N -1 3 279.303 1.688 10 0 CDAEHM O=S(=O)(CCC1CCCC1)[N-]Cc1noc(C2CC2)n1 ZINC000576913714 317229285 /nfs/dbraw/zinc/22/92/85/317229285.db2.gz MCRIJPPPOMIWOQ-UHFFFAOYSA-N -1 3 299.396 1.947 10 0 CDAEHM O=C(NCCc1ccc[nH]1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000577132983 317272720 /nfs/dbraw/zinc/27/27/20/317272720.db2.gz UIMNMQWRNALTED-UHFFFAOYSA-N -1 3 272.308 1.360 10 0 CDAEHM CCc1nnc([N-]C(=O)c2cc3c(cn2)OCCO3)s1 ZINC000578063884 317461693 /nfs/dbraw/zinc/46/16/93/317461693.db2.gz DZYQWWWUBPUXCQ-UHFFFAOYSA-N -1 3 292.320 1.519 10 0 CDAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)C(C)(C)C)cn1 ZINC000185622628 323392740 /nfs/dbraw/zinc/39/27/40/323392740.db2.gz KLSWCWREPCMQIR-SECBINFHSA-N -1 3 299.396 1.154 10 0 CDAEHM CC(C)(C)n1cnc([N-]C(=O)c2cc3n(n2)CCCO3)n1 ZINC000578947939 324061553 /nfs/dbraw/zinc/06/15/53/324061553.db2.gz JMVGVULEKVMMSC-UHFFFAOYSA-N -1 3 290.327 1.264 10 0 CDAEHM C[C@@]1(c2ccc(C(=O)N[C@@H]3CC34CC4)cc2)NC(=O)[N-]C1=O ZINC000579229203 324133453 /nfs/dbraw/zinc/13/34/53/324133453.db2.gz ITQNESVPVDVNCB-ABAIWWIYSA-N -1 3 299.330 1.024 10 0 CDAEHM COC(=O)c1[n-]c(=NCCOCC2CCC2)sc1C ZINC000579790585 324278970 /nfs/dbraw/zinc/27/89/70/324278970.db2.gz PARKLFJUNOFLDO-UHFFFAOYSA-N -1 3 284.381 1.889 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2C(=O)[C@H]2CCCSC2)nc1=N ZINC000580956533 324610157 /nfs/dbraw/zinc/61/01/57/324610157.db2.gz ZPGZGJJEKZIOEU-VHSXEESVSA-N -1 3 295.412 1.034 10 0 CDAEHM COC1(CCNC(=O)NCc2ncccc2[O-])CCC1 ZINC000583305589 325147269 /nfs/dbraw/zinc/14/72/69/325147269.db2.gz YSXUQUQVFLUXBX-UHFFFAOYSA-N -1 3 279.340 1.546 10 0 CDAEHM CSc1ccc([O-])c(C(=O)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000668988396 482451532 /nfs/dbraw/zinc/45/15/32/482451532.db2.gz SSQTXRSDTBSVMC-VIFPVBQESA-N -1 3 294.376 1.465 10 0 CDAEHM O=C(NCCCCN1CCOCC1)c1ccc([O-])c(F)c1 ZINC000681019428 482659211 /nfs/dbraw/zinc/65/92/11/482659211.db2.gz HKBNFALDPSSJGL-UHFFFAOYSA-N -1 3 296.342 1.374 10 0 CDAEHM CC(C)(C[N-]S(=O)(=O)c1ccccn1)[C@@H]1CCCCO1 ZINC000677515204 482701173 /nfs/dbraw/zinc/70/11/73/482701173.db2.gz GCKAGOSRLNKZPT-LBPRGKRZSA-N -1 3 298.408 1.955 10 0 CDAEHM CCc1cccc(C(=O)N2CC(F)(F)C[C@H]2CO)c1[O-] ZINC000673227315 482714505 /nfs/dbraw/zinc/71/45/05/482714505.db2.gz XSLHDWRLRNLUIH-JTQLQIEISA-N -1 3 285.290 1.797 10 0 CDAEHM Cc1noc(C)c1[C@H](C)C(=O)NCc1ncccc1[O-] ZINC000684350088 482766735 /nfs/dbraw/zinc/76/67/35/482766735.db2.gz LFGFWQNAVMTGTK-QMMMGPOBSA-N -1 3 275.308 1.812 10 0 CDAEHM O=C(Nc1ccc2nccn2c1)c1c([O-])cccc1O ZINC000678344470 483035106 /nfs/dbraw/zinc/03/51/06/483035106.db2.gz PSCSMGOVHROBPJ-UHFFFAOYSA-N -1 3 269.260 1.998 10 0 CDAEHM C[C@@H]1CN(Cc2nc3c(cnn3C)c(=O)[n-]2)[C@H](C)[C@@H](C)O1 ZINC000682091741 483133617 /nfs/dbraw/zinc/13/36/17/483133617.db2.gz CXQWKHPHYQIABZ-OPRDCNLKSA-N -1 3 291.355 1.067 10 0 CDAEHM COc1nc(NC(=O)CCc2ccccc2F)n[n-]1 ZINC000679319734 483225381 /nfs/dbraw/zinc/22/53/81/483225381.db2.gz CFMUBGNSRZTZFO-UHFFFAOYSA-N -1 3 264.260 1.524 10 0 CDAEHM CN(C(=O)c1c([O-])cc(F)cc1F)[C@@H]1CCN(C2CC2)C1 ZINC000675604654 483337456 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1.321 10 0 CDAEHM CCN(Cc1cn2ccccc2n1)C[C@H](C)C(=O)[O-] ZINC000061219735 521429346 /nfs/dbraw/zinc/42/93/46/521429346.db2.gz ZWUKUSZLDHGPHG-NSHDSACASA-N -1 3 261.325 1.877 10 0 CDAEHM CCCn1c(=O)[n-]nc1SCc1cnn(C)c1 ZINC000338589288 521633463 /nfs/dbraw/zinc/63/34/63/521633463.db2.gz JYUWWYIEVPQEKJ-UHFFFAOYSA-N -1 3 253.331 1.420 10 0 CDAEHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@H]1CCC[C@H]1OC ZINC000338534761 521757227 /nfs/dbraw/zinc/75/72/27/521757227.db2.gz LXYNUFLEDQHXLB-BDAKNGLRSA-N -1 3 298.364 1.937 10 0 CDAEHM COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(=O)[nH]c1 ZINC000049571890 522614477 /nfs/dbraw/zinc/61/44/77/522614477.db2.gz XFNQXKXLNUGGAA-UHFFFAOYSA-N -1 3 298.295 1.323 10 0 CDAEHM CN(C[C@H]1CCCO1)c1ccc2c(c1)[N-]C(=O)C2=O ZINC000048948267 523128102 /nfs/dbraw/zinc/12/81/02/523128102.db2.gz UAKUVLUJDXATIK-SNVBAGLBSA-N -1 3 260.293 1.437 10 0 CDAEHM CCn1c(=O)[n-]nc1SCCn1cc(C)cn1 ZINC000340660789 523214934 /nfs/dbraw/zinc/21/49/34/523214934.db2.gz IJHIJUQIRLPSAH-UHFFFAOYSA-N -1 3 253.331 1.301 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258.241 1.113 10 0 CDAEHM Cc1ccc(C(=O)[O-])c(NC[C@H]2CCCCN2C)n1 ZINC000054530520 526233008 /nfs/dbraw/zinc/23/30/08/526233008.db2.gz QVJSVBMUSOBSLG-LLVKDONJSA-N -1 3 263.341 1.984 10 0 CDAEHM O=C([O-])[C@H]1CCCC[C@@H]1N1CCN(c2ncccn2)CC1 ZINC000062750660 526319806 /nfs/dbraw/zinc/31/98/06/526319806.db2.gz VOTMDVQZGHZWAT-STQMWFEESA-N -1 3 290.367 1.242 10 0 CDAEHM O=C([O-])c1cc2c(nc1N[C@H]1CN3CCC1CC3)CCC2 ZINC000054527444 526358578 /nfs/dbraw/zinc/35/85/78/526358578.db2.gz ZXALJBORUCMXPB-AWEZNQCLSA-N -1 3 287.363 1.775 10 0 CDAEHM Cc1nc(=O)n([C@@H](C)CN2CCCC2)c(C)c1CC(=O)[O-] ZINC000049185689 526632704 /nfs/dbraw/zinc/63/27/04/526632704.db2.gz BNMKDBZGXNKPKO-JTQLQIEISA-N -1 3 293.367 1.144 10 0 CDAEHM O=S(=O)([N-][C@H]1CCC[C@H](CO)C1)c1ccccc1F ZINC000302578328 527242020 /nfs/dbraw/zinc/24/20/20/527242020.db2.gz DJECMPDPLIHZFR-QWRGUYRKSA-N -1 3 287.356 1.655 10 0 CDAEHM Nc1nnc(C(=O)Nc2cc(Cl)cc3cccnc32)[n-]1 ZINC000055165317 527545569 /nfs/dbraw/zinc/54/55/69/527545569.db2.gz 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/nfs/dbraw/zinc/39/56/28/575395628.db2.gz ZFAODFBSPBQPKC-UHFFFAOYSA-N -1 3 290.363 1.489 10 0 CDAEHM COC(=O)[C@H](NC(=O)/C=C/c1cncc([O-])c1)C(C)(C)C ZINC000770493265 575456188 /nfs/dbraw/zinc/45/61/88/575456188.db2.gz CYADRUVDZLYDJV-GFUIURDCSA-N -1 3 292.335 1.504 10 0 CDAEHM CCO[C@H]1C[C@H]1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000772481698 575707796 /nfs/dbraw/zinc/70/77/96/575707796.db2.gz ULTNNENIXMBOLE-SCZZXKLOSA-N -1 3 275.312 1.174 10 0 CDAEHM CCO[C@H]1C[C@H]1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000772481698 575707799 /nfs/dbraw/zinc/70/77/99/575707799.db2.gz ULTNNENIXMBOLE-SCZZXKLOSA-N -1 3 275.312 1.174 10 0 CDAEHM CSCCOC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000773504699 575816749 /nfs/dbraw/zinc/81/67/49/575816749.db2.gz FVJIZMIKGMZTEO-UHFFFAOYSA-N -1 3 269.322 1.028 10 0 CDAEHM C/C=C(\C)C(=O)NCC1CN(C(=O)c2ccccc2[O-])C1 ZINC001688656035 1175003537 /nfs/dbraw/zinc/00/35/37/1175003537.db2.gz HOSHWUQUILERMG-QDEBKDIKSA-N -1 3 288.347 1.547 10 0 CDAEHM CC(C)C[C@H](C)C(=O)OCc1nc2c(cnn2C)c(=O)[n-]1 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COC(=O)c1cnc(C(=O)[N-]c2csc(C)n2)cn1 ZINC000355012442 365837590 /nfs/dbraw/zinc/83/75/90/365837590.db2.gz HXHISTHTJLSROO-UHFFFAOYSA-N -1 3 278.293 1.280 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)Nc1ccccc1OC(F)(F)F ZINC000085811107 179177596 /nfs/dbraw/zinc/17/75/96/179177596.db2.gz VMUKTFVIOZYAAQ-ZCFIWIBFSA-N -1 3 292.213 1.326 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)Nc1ccccc1C(F)(F)F ZINC000085810891 179177787 /nfs/dbraw/zinc/17/77/87/179177787.db2.gz UINRWHJVQGTIHX-SSDOTTSWSA-N -1 3 276.214 1.446 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000085810898 179177935 /nfs/dbraw/zinc/17/79/35/179177935.db2.gz RJBAYNVKPAHRJH-LURJTMIESA-N -1 3 299.739 1.690 10 0 CDAEHM CSc1ccc([C@H](C)NC(=O)[C@H](N)CC(=O)[O-])cc1 ZINC000085813491 179178122 /nfs/dbraw/zinc/17/81/22/179178122.db2.gz SSJCLYPBCIIKCE-GZMMTYOYSA-N -1 3 282.365 1.388 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)N[C@H]1CCSc2ccccc21 ZINC000085812352 179178465 /nfs/dbraw/zinc/17/84/65/179178465.db2.gz DWFUECQQQOSWLJ-UWVGGRQHSA-N -1 3 280.349 1.142 10 0 CDAEHM CSc1ccc([C@H](C)NC(=O)[C@H](N)CCC(=O)[O-])cc1 ZINC000085819441 179182169 /nfs/dbraw/zinc/18/21/69/179182169.db2.gz BJZPYEKNXJLKSR-JOYOIKCWSA-N -1 3 296.392 1.778 10 0 CDAEHM N[C@@H](CCC(=O)[O-])C(=O)Nc1ccccc1-n1cccn1 ZINC000085819496 179182752 /nfs/dbraw/zinc/18/27/52/179182752.db2.gz REMXWEZHJGLTOM-JTQLQIEISA-N -1 3 288.307 1.003 10 0 CDAEHM N[C@H](CCC(=O)[O-])C(=O)Nc1cccc(-c2cnco2)c1 ZINC000085820209 179182954 /nfs/dbraw/zinc/18/29/54/179182954.db2.gz WPDOAPVTOIQLFT-LLVKDONJSA-N -1 3 289.291 1.472 10 0 CDAEHM CCN(C(=O)[C@H](N)CCC(=O)[O-])c1ccc(F)cc1 ZINC000085843804 179185826 /nfs/dbraw/zinc/18/58/26/179185826.db2.gz CRPCGRIIHJAWBP-LLVKDONJSA-N -1 3 268.288 1.371 10 0 CDAEHM CC1CCC(CCNC(=O)[C@@H](N)CCC(=O)[O-])CC1 ZINC000085845810 179186262 /nfs/dbraw/zinc/18/62/62/179186262.db2.gz QMYGNUAUAKFKLC-MCIGGMRASA-N -1 3 270.373 1.511 10 0 CDAEHM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000563258309 293326932 /nfs/dbraw/zinc/32/69/32/293326932.db2.gz TZISWFAWYKIRQX-ONGXEEELSA-N -1 3 275.370 1.663 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000085817249 179180210 /nfs/dbraw/zinc/18/02/10/179180210.db2.gz DZFPBXNWNZXSQB-MRVPVSSYSA-N -1 3 294.204 1.585 10 0 CDAEHM Cc1ccc(CN(C(=O)[C@H](N)CC(=O)[O-])C2CC2)cc1 ZINC000085815964 179180333 /nfs/dbraw/zinc/18/03/33/179180333.db2.gz MCDVCDUIOYYMQP-CYBMUJFWSA-N -1 3 276.336 1.288 10 0 CDAEHM N[C@@H](CCC(=O)[O-])C(=O)Nc1ccc(F)c(Cl)c1 ZINC000085818765 179181381 /nfs/dbraw/zinc/18/13/81/179181381.db2.gz LVWMSRRMDYJDJB-VIFPVBQESA-N -1 3 274.679 1.610 10 0 CDAEHM CC[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cn(C)nc2N)[C@@H]1C ZINC000086082921 179227908 /nfs/dbraw/zinc/22/79/08/179227908.db2.gz WZLFMNHYNSSJGT-KXUCPTDWSA-N -1 3 286.401 1.105 10 0 CDAEHM CS[C@H](C)CC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000128606223 187379585 /nfs/dbraw/zinc/37/95/85/187379585.db2.gz FAIXVHAEZDVUAP-MRVPVSSYSA-N -1 3 279.369 1.890 10 0 CDAEHM CS[C@H](C)CC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000128606223 187379586 /nfs/dbraw/zinc/37/95/86/187379586.db2.gz FAIXVHAEZDVUAP-MRVPVSSYSA-N -1 3 279.369 1.890 10 0 CDAEHM C[C@H](Cn1cccn1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000053484280 347742683 /nfs/dbraw/zinc/74/26/83/347742683.db2.gz ACUPWADGHJUJMZ-LLVKDONJSA-N -1 3 296.330 1.543 10 0 CDAEHM CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cccc([O-])c1 ZINC000275139049 365935587 /nfs/dbraw/zinc/93/55/87/365935587.db2.gz NMXYPDZWJDSYNN-SNVBAGLBSA-N -1 3 277.242 1.778 10 0 CDAEHM COc1cccc(C(=O)N[C@H]2CCC[C@H](O)C2)c1[O-] ZINC000614144339 348013867 /nfs/dbraw/zinc/01/38/67/348013867.db2.gz SWGSZVRNPSDPEH-UWVGGRQHSA-N -1 3 265.309 1.434 10 0 CDAEHM CCOC1(C(=O)NCc2ncccc2[O-])CCC1 ZINC000614254469 348059121 /nfs/dbraw/zinc/05/91/21/348059121.db2.gz IKLNGIIQQSHLHD-UHFFFAOYSA-N -1 3 250.298 1.363 10 0 CDAEHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000614931402 348278971 /nfs/dbraw/zinc/27/89/71/348278971.db2.gz RJWIBCJWSASZFL-GMTAPVOTSA-N -1 3 263.341 1.195 10 0 CDAEHM O=C([N-]c1nnc2[nH]cnn12)[C@H]1CCCCC1(F)F ZINC000614994658 348297789 /nfs/dbraw/zinc/29/77/89/348297789.db2.gz UWLDXKXAJLMTSG-ZCFIWIBFSA-N -1 3 270.243 1.216 10 0 CDAEHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](O)C2)c1 ZINC000615260855 348413113 /nfs/dbraw/zinc/41/31/13/348413113.db2.gz DCMZGYRQJPTJDS-MNOVXSKESA-N -1 3 287.356 1.716 10 0 CDAEHM CC(C)[C@H](C(=O)[N-]OCc1ccc(F)cc1)N(C)C ZINC000273388137 192135353 /nfs/dbraw/zinc/13/53/53/192135353.db2.gz DFLYGHSJDNIELM-CYBMUJFWSA-N -1 3 268.332 1.960 10 0 CDAEHM O=C(NCc1ccc([O-])c2ncccc12)[C@H]1[C@@H]2COC[C@@H]21 ZINC000616020580 349246751 /nfs/dbraw/zinc/24/67/51/349246751.db2.gz MOPBYTZKJAODHI-IMRBUKKESA-N -1 3 284.315 1.449 10 0 CDAEHM COC[C@H](OC)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616020672 349246776 /nfs/dbraw/zinc/24/67/76/349246776.db2.gz OLWKZERHSAMKKL-ZDUSSCGKSA-N -1 3 290.319 1.218 10 0 CDAEHM CO[C@@H](C(=O)NCc1ccc([O-])c2ncccc12)C1CC1 ZINC000616022094 349248785 /nfs/dbraw/zinc/24/87/85/349248785.db2.gz BXGJAQMFFUNLEC-OAHLLOKOSA-N -1 3 286.331 1.982 10 0 CDAEHM C[C@]1(C(=O)NCc2ccc([O-])c3ncccc23)CCOC1 ZINC000616023766 349251824 /nfs/dbraw/zinc/25/18/24/349251824.db2.gz WBFUSQPEFVGYEJ-INIZCTEOSA-N -1 3 286.331 1.983 10 0 CDAEHM O=C(NCc1ccc([O-])c2ncccc12)[C@H]1CCOC1 ZINC000616024710 349252690 /nfs/dbraw/zinc/25/26/90/349252690.db2.gz DOOMENDKGHXVSA-NSHDSACASA-N -1 3 272.304 1.593 10 0 CDAEHM O=C(Nc1ccc(O[C@@H]2CC2(F)F)cc1)c1cnn[n-]1 ZINC000620276872 350114889 /nfs/dbraw/zinc/11/48/89/350114889.db2.gz DTLITEPBLFJSHI-SNVBAGLBSA-N -1 3 280.234 1.843 10 0 CDAEHM O=C(Nc1ccc(O[C@@H]2CC2(F)F)cc1)c1c[n-]nn1 ZINC000620276872 350114892 /nfs/dbraw/zinc/11/48/92/350114892.db2.gz DTLITEPBLFJSHI-SNVBAGLBSA-N -1 3 280.234 1.843 10 0 CDAEHM O=C(Nc1ccc(O[C@@H]2CC2(F)F)cc1)c1cn[n-]n1 ZINC000620276872 350114894 /nfs/dbraw/zinc/11/48/94/350114894.db2.gz DTLITEPBLFJSHI-SNVBAGLBSA-N -1 3 280.234 1.843 10 0 CDAEHM CC[C@@H]1CN(C(=O)c2cc(C)ccc2[O-])C[C@H](C)N1 ZINC000620905950 350375099 /nfs/dbraw/zinc/37/50/99/350375099.db2.gz INWCDERJYZLJGA-NWDGAFQWSA-N -1 3 262.353 1.913 10 0 CDAEHM O=C(N=c1cc2ccccn2[n-]1)NCC[C@H]1CC1(F)F ZINC000621466978 350609590 /nfs/dbraw/zinc/60/95/90/350609590.db2.gz MNCOCZIBULPIRL-VIFPVBQESA-N -1 3 280.278 1.923 10 0 CDAEHM O=C(N[C@@H]1CCC[C@@H](CO)C1)c1cc(F)c[n-]c1=O ZINC000622109537 351005222 /nfs/dbraw/zinc/00/52/22/351005222.db2.gz UAKOKVMHTPQMTQ-PSASIEDQSA-N -1 3 268.288 1.207 10 0 CDAEHM C[C@@]12COC[C@H]1CN(C(=O)c1c([O-])cccc1O)C2 ZINC000622172227 351051730 /nfs/dbraw/zinc/05/17/30/351051730.db2.gz FRCKVCRZRJWZKT-YMTOWFKASA-N -1 3 263.293 1.206 10 0 CDAEHM Cc1cccc2c(=O)c(C(=O)N3CCC4(COC4)C3)c[n-]c12 ZINC000622179785 351056667 /nfs/dbraw/zinc/05/66/67/351056667.db2.gz NWWAIMJZWRABJP-UHFFFAOYSA-N -1 3 298.342 1.699 10 0 CDAEHM O=C(c1ccccc1[O-])N1CC[C@@H](O)CC12CCC2 ZINC000622114307 351011465 /nfs/dbraw/zinc/01/14/65/351011465.db2.gz OYHSNTSJEZRZPG-LLVKDONJSA-N -1 3 261.321 1.912 10 0 CDAEHM Cc1nnc([N-]C(=O)c2nn3c(c2C)OCCC3)s1 ZINC000622322267 351125921 /nfs/dbraw/zinc/12/59/21/351125921.db2.gz IAEOJSMPCQJAHC-UHFFFAOYSA-N -1 3 279.325 1.386 10 0 CDAEHM CCc1noc(C)c1[N-]C(=O)c1cn(CC2CC2)nn1 ZINC000622463525 351177883 /nfs/dbraw/zinc/17/78/83/351177883.db2.gz FXDPDEWQYYHFCA-UHFFFAOYSA-N -1 3 275.312 1.799 10 0 CDAEHM O=C(N[C@@H]1COc2ccccc21)c1ccc(O)cc1[O-] ZINC000194861318 363241233 /nfs/dbraw/zinc/24/12/33/363241233.db2.gz PZGPSCRCESSYJJ-GFCCVEGCSA-N -1 3 271.272 1.961 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000632711859 363349371 /nfs/dbraw/zinc/34/93/71/363349371.db2.gz YZBUCWLVEZWXMB-RNFRBKRXSA-N -1 3 283.275 1.132 10 0 CDAEHM CC[C@@H](N=c1cc(-c2ccccc2)n2[n-]cnc2n1)[C@H](C)O ZINC000631292962 356541507 /nfs/dbraw/zinc/54/15/07/356541507.db2.gz QYABPGUFQMYVDY-WCQYABFASA-N -1 3 297.362 1.785 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000528558861 356692020 /nfs/dbraw/zinc/69/20/20/356692020.db2.gz YAYXPOQJIYWXJX-SREGZZRCSA-N -1 3 288.344 1.311 10 0 CDAEHM Cc1cc(CS(=O)(=O)[N-][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)no1 ZINC000528549317 356683406 /nfs/dbraw/zinc/68/34/06/356683406.db2.gz KOFSCVRIOGSVRS-SVDPJWKOSA-N -1 3 288.369 1.214 10 0 CDAEHM CO[C@@H]1CN(CCOC(C)(C)C)[C@@](C)(C(=O)[O-])C1 ZINC000634694759 357241798 /nfs/dbraw/zinc/24/17/98/357241798.db2.gz KTVGVJFGOOHAGY-GXFFZTMASA-N -1 3 259.346 1.366 10 0 CDAEHM CC(C)C(=O)C[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC000185929235 357594510 /nfs/dbraw/zinc/59/45/10/357594510.db2.gz FZOMIEHNHQBDMX-UHFFFAOYSA-N -1 3 296.348 1.472 10 0 CDAEHM O=C(Cc1cnc2ccccc2c1)[N-]OC[C@H]1CCOC1 ZINC000188304545 357876094 /nfs/dbraw/zinc/87/60/94/357876094.db2.gz PGPFCPCIEUONDS-LBPRGKRZSA-N -1 3 286.331 1.862 10 0 CDAEHM C/C(=C\C(C)(C)C)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000195021023 358406766 /nfs/dbraw/zinc/40/67/66/358406766.db2.gz MGWBSSFADHYFHP-HQPKTYMTSA-N -1 3 293.367 1.179 10 0 CDAEHM O=S1(=O)CC[C@H](NCc2cccc([O-])c2Cl)C1 ZINC000293997979 358548638 /nfs/dbraw/zinc/54/86/38/358548638.db2.gz FVXHFXOJIPMXOD-VIFPVBQESA-N -1 3 275.757 1.322 10 0 CDAEHM N#C[N-]C(=O)c1ccc(F)cc1I ZINC000236165175 358573506 /nfs/dbraw/zinc/57/35/06/358573506.db2.gz FLDWNKGTSLGWIL-UHFFFAOYSA-N -1 3 290.035 1.641 10 0 CDAEHM CC(C)C[C@H](N)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000054302985 358712561 /nfs/dbraw/zinc/71/25/61/358712561.db2.gz RHFHCWFRWLHNGT-QWRGUYRKSA-N -1 3 256.346 1.073 10 0 CDAEHM COC1CCC(C[N-]S(=O)(=O)c2conc2C)CC1 ZINC000632075735 358782321 /nfs/dbraw/zinc/78/23/21/358782321.db2.gz YKFYDLOFIDEONA-UHFFFAOYSA-N -1 3 288.369 1.467 10 0 CDAEHM COc1cc(C(=O)N[C@H]2C[C@@H]2C(F)F)cc(OC)c1[O-] ZINC000345838225 358919331 /nfs/dbraw/zinc/91/93/31/358919331.db2.gz ZRUNBICTIOOBGL-YUMQZZPRSA-N -1 3 287.262 1.793 10 0 CDAEHM COC(=O)Cc1n[n-]c(NC(=O)[C@H]2CCCCC2(C)C)n1 ZINC000194140054 291170176 /nfs/dbraw/zinc/17/01/76/291170176.db2.gz CWFAAPQKIZDJAZ-SECBINFHSA-N -1 3 294.355 1.675 10 0 CDAEHM COC(=O)Cc1nnc(NC(=O)[C@H]2CCCCC2(C)C)[n-]1 ZINC000194140054 291170180 /nfs/dbraw/zinc/17/01/80/291170180.db2.gz CWFAAPQKIZDJAZ-SECBINFHSA-N -1 3 294.355 1.675 10 0 CDAEHM COC(=O)Cc1nc(NC(=O)[C@H]2CCCCC2(C)C)n[n-]1 ZINC000194140054 291170182 /nfs/dbraw/zinc/17/01/82/291170182.db2.gz CWFAAPQKIZDJAZ-SECBINFHSA-N -1 3 294.355 1.675 10 0 CDAEHM CC1(C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)COC1 ZINC000286777724 359114700 /nfs/dbraw/zinc/11/47/00/359114700.db2.gz FZDMWGCNQQAJRR-UHFFFAOYSA-N -1 3 294.735 1.189 10 0 CDAEHM CC(=O)c1[n-]c(=N[C@H]2CCOC[C@H]2C)sc1C ZINC000560212848 359390277 /nfs/dbraw/zinc/39/02/77/359390277.db2.gz ARRUVEJJXGJVLJ-XCBNKYQSSA-N -1 3 254.355 1.913 10 0 CDAEHM C[C@H]1[C@H](O)CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000296952620 200044142 /nfs/dbraw/zinc/04/41/42/200044142.db2.gz OWPIMYBCSRMWGC-GZMMTYOYSA-N -1 3 251.282 1.083 10 0 CDAEHM Cc1cc([N-]S(=O)(=O)N2CCC[C@@H](C)C2)nn1C ZINC000161561928 237207176 /nfs/dbraw/zinc/20/71/76/237207176.db2.gz CSOZFUITSMJPCF-SECBINFHSA-N -1 3 272.374 1.117 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)[C@H]2CCCCO2)n[n-]1 ZINC000119691267 359943626 /nfs/dbraw/zinc/94/36/26/359943626.db2.gz YVKHWYUFOAHLCB-SNVBAGLBSA-N -1 3 275.312 1.318 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)[C@H]2CCCCO2)[n-]n1 ZINC000119691267 359943632 /nfs/dbraw/zinc/94/36/32/359943632.db2.gz YVKHWYUFOAHLCB-SNVBAGLBSA-N -1 3 275.312 1.318 10 0 CDAEHM Cc1nc(NC(=O)NCc2ncccc2[O-])oc1C ZINC000348545563 360390657 /nfs/dbraw/zinc/39/06/57/360390657.db2.gz VSZOGXSZPSAFNI-UHFFFAOYSA-N -1 3 262.269 1.714 10 0 CDAEHM Cc1ccc2ncc(CNC3(c4nn[n-]n4)CCCC3)n2c1 ZINC000515893449 360543901 /nfs/dbraw/zinc/54/39/01/360543901.db2.gz KCXTXWKDMILGOE-UHFFFAOYSA-N -1 3 297.366 1.715 10 0 CDAEHM COc1nnc(NC(=O)CCCOc2cccc(F)c2)[n-]1 ZINC000179365695 189188627 /nfs/dbraw/zinc/18/86/27/189188627.db2.gz CKCWVCHVVNJXCC-UHFFFAOYSA-N -1 3 294.286 1.750 10 0 CDAEHM COc1nc(NC(=O)CCCOc2cccc(F)c2)n[n-]1 ZINC000179365695 189188628 /nfs/dbraw/zinc/18/86/28/189188628.db2.gz CKCWVCHVVNJXCC-UHFFFAOYSA-N -1 3 294.286 1.750 10 0 CDAEHM COc1n[n-]c(NC(=O)CCCOc2cccc(F)c2)n1 ZINC000179365695 189188629 /nfs/dbraw/zinc/18/86/29/189188629.db2.gz CKCWVCHVVNJXCC-UHFFFAOYSA-N -1 3 294.286 1.750 10 0 CDAEHM C[C@@H]1C[C@@H](C(=O)N=c2[nH][n-]cc2Br)[C@H](C)O1 ZINC000640317723 360938402 /nfs/dbraw/zinc/93/84/02/360938402.db2.gz HRPBJPSZUGJPBC-DSYKOEDSSA-N -1 3 288.145 1.346 10 0 CDAEHM Cn1cnc(S(=O)(=O)[N-]C/C=C\c2ccccc2)c1 ZINC000350619554 361111310 /nfs/dbraw/zinc/11/13/10/361111310.db2.gz QZDQJGZIPWWCRN-YVMONPNESA-N -1 3 277.349 1.412 10 0 CDAEHM NC(=O)c1csc(=NCCC[C@H]2CCCC[C@H]2O)[n-]1 ZINC000432342984 361150227 /nfs/dbraw/zinc/15/02/27/361150227.db2.gz PVWZAGIADMJOHG-MWLCHTKSSA-N -1 3 283.397 1.407 10 0 CDAEHM CC(=C([O-])c1cnc2[nH]cccc1-2)S(C)(=O)=O ZINC000168048804 361223063 /nfs/dbraw/zinc/22/30/63/361223063.db2.gz AAKMIMPHZURCMJ-ZETCQYMHSA-N -1 3 252.295 1.179 10 0 CDAEHM CCCCN(C)CCNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000575120652 361259516 /nfs/dbraw/zinc/25/95/16/361259516.db2.gz CRRBVLBNAKAVMT-STQMWFEESA-N -1 3 299.415 1.471 10 0 CDAEHM Cc1ccc(C(=O)NC[C@H](O)C(F)(F)F)c([O-])c1C ZINC000267154950 363748979 /nfs/dbraw/zinc/74/89/79/363748979.db2.gz 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CCc1ccc(C(=O)NC[C@H]2CCN(C(C)=O)C2)c([O-])c1 ZINC000573407725 371531965 /nfs/dbraw/zinc/53/19/65/371531965.db2.gz YFZRYFUHXKNXEM-CYBMUJFWSA-N -1 3 290.363 1.553 10 0 CDAEHM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000575136842 371758578 /nfs/dbraw/zinc/75/85/78/371758578.db2.gz LSUCMENGEMRZPM-ILWJIGKKSA-N -1 3 259.309 1.588 10 0 CDAEHM COC(=O)c1ccccc1NC([O-])=NOC(C)C ZINC000296467956 371773853 /nfs/dbraw/zinc/77/38/53/371773853.db2.gz WPQHLGQVIRCXPX-UHFFFAOYSA-N -1 3 252.270 1.935 10 0 CDAEHM COC(=O)c1ccccc1NC(=O)[N-]OC(C)C ZINC000296467956 371773857 /nfs/dbraw/zinc/77/38/57/371773857.db2.gz WPQHLGQVIRCXPX-UHFFFAOYSA-N -1 3 252.270 1.935 10 0 CDAEHM COc1ccc(C(=O)NCCc2cn[nH]c2)c([O-])c1 ZINC000379975992 372027435 /nfs/dbraw/zinc/02/74/35/372027435.db2.gz OFRLFRLODBFBJE-UHFFFAOYSA-N -1 3 261.281 1.096 10 0 CDAEHM CCCC1(c2noc([C@H](C)[N-]S(C)(=O)=O)n2)CCC1 ZINC000351336779 372393447 /nfs/dbraw/zinc/39/34/47/372393447.db2.gz AZSPEUGNLIZFQS-VIFPVBQESA-N -1 3 287.385 1.902 10 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ZINC000451230309 393164507 /nfs/dbraw/zinc/16/45/07/393164507.db2.gz OACAIJRHYWOSQB-BDAKNGLRSA-N -1 3 263.384 1.352 10 0 CDAEHM O=S(=O)([N-]CCCC1CCOCC1)c1ccccn1 ZINC000451607714 393359247 /nfs/dbraw/zinc/35/92/47/393359247.db2.gz LIPLLQGFUFATOM-UHFFFAOYSA-N -1 3 284.381 1.567 10 0 CDAEHM C[C@H]1CCc2ccccc2N1C(=O)[C@@H](N)CC(=O)[O-] ZINC000085810856 135038294 /nfs/dbraw/zinc/03/82/94/135038294.db2.gz UIQQSBTZTBAJOF-ONGXEEELSA-N -1 3 262.309 1.156 10 0 CDAEHM Cc1ccc(C(=O)N2C[C@@H](O)CC(F)(F)C2)c([O-])c1C ZINC000682586111 483296117 /nfs/dbraw/zinc/29/61/17/483296117.db2.gz GUZCUPRDBGRXME-JTQLQIEISA-N -1 3 285.290 1.851 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000182593483 140021857 /nfs/dbraw/zinc/02/18/57/140021857.db2.gz NYQSCAJLVLKQCN-ZIAGYGMSSA-N -1 3 277.320 1.412 10 0 CDAEHM Cc1ccc(C(=O)N2CCCNC(=O)[C@H]2C)c([O-])c1 ZINC000188092578 140087790 /nfs/dbraw/zinc/08/77/90/140087790.db2.gz LCELAJGLDGJSOE-SNVBAGLBSA-N -1 3 262.309 1.051 10 0 CDAEHM C([N-]c1nc(C2CCC2)no1)c1nc([C@@H]2CCCO2)n[nH]1 ZINC000656208755 413106244 /nfs/dbraw/zinc/10/62/44/413106244.db2.gz YKYUAXBSLFHWLA-VIFPVBQESA-N -1 3 290.327 1.919 10 0 CDAEHM C([N-]c1nc(C2CCC2)no1)c1n[nH]c([C@@H]2CCCO2)n1 ZINC000656208755 413106245 /nfs/dbraw/zinc/10/62/45/413106245.db2.gz YKYUAXBSLFHWLA-VIFPVBQESA-N -1 3 290.327 1.919 10 0 CDAEHM O=C1[N-]c2ncc(Cl)c(Br)c2C1=O ZINC000575625107 397602918 /nfs/dbraw/zinc/60/29/18/397602918.db2.gz XHXWVRXDEMEERE-UHFFFAOYSA-N -1 3 261.462 1.632 10 0 CDAEHM O=C(NC1(c2nnn[n-]2)CCCC1)c1cccc2c1CNC2 ZINC000662613836 413193103 /nfs/dbraw/zinc/19/31/03/413193103.db2.gz LNYYGEYBMOHZBV-UHFFFAOYSA-N -1 3 298.350 1.002 10 0 CDAEHM O=C(NC1(c2nn[n-]n2)CCCC1)c1cccc2c1CNC2 ZINC000662613836 413193110 /nfs/dbraw/zinc/19/31/10/413193110.db2.gz LNYYGEYBMOHZBV-UHFFFAOYSA-N -1 3 298.350 1.002 10 0 CDAEHM CC(C)C(=O)Nc1ccc(NC(=O)c2nc[n-]n2)cc1 ZINC000095041906 147111577 /nfs/dbraw/zinc/11/15/77/147111577.db2.gz PGZVTPZHNCYHBN-UHFFFAOYSA-N -1 3 273.296 1.652 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(=O)[nH]c2)n[n-]1 ZINC000119586156 147325376 /nfs/dbraw/zinc/32/53/76/147325376.db2.gz IRWIISPRZNYBRY-UHFFFAOYSA-N -1 3 284.279 1.163 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(=O)[nH]c2)[n-]n1 ZINC000119586156 147325377 /nfs/dbraw/zinc/32/53/77/147325377.db2.gz IRWIISPRZNYBRY-UHFFFAOYSA-N -1 3 284.279 1.163 10 0 CDAEHM C[C@@H]([N-]C(=O)C(F)F)c1nnc2n1CCCCC2 ZINC000235211097 148700796 /nfs/dbraw/zinc/70/07/96/148700796.db2.gz XXZMSUUDKFHWCB-SSDOTTSWSA-N -1 3 258.272 1.447 10 0 CDAEHM COCC[C@H](COC)NC(=O)c1cccc([O-])c1 ZINC000311127291 149209893 /nfs/dbraw/zinc/20/98/93/149209893.db2.gz VQJKAHOFWGJFHA-LLVKDONJSA-N -1 3 253.298 1.174 10 0 CDAEHM Cc1c(CCC(=O)NCc2ncccc2[O-])cnn1C ZINC000352498250 155229010 /nfs/dbraw/zinc/22/90/10/155229010.db2.gz AHTUYTOWYNMPCK-UHFFFAOYSA-N -1 3 274.324 1.078 10 0 CDAEHM CCn1nc(C)c(C(=O)NCc2ncccc2[O-])c1C ZINC000352501824 155230175 /nfs/dbraw/zinc/23/01/75/155230175.db2.gz QBNXHQDWDCPGRI-UHFFFAOYSA-N -1 3 274.324 1.550 10 0 CDAEHM CC(=O)c1ccc(C(=O)NCc2ncccc2[O-])s1 ZINC000352502701 155232205 /nfs/dbraw/zinc/23/22/05/155232205.db2.gz XRCSNWRUQOIPBC-UHFFFAOYSA-N -1 3 276.317 1.981 10 0 CDAEHM C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000352514810 155240877 /nfs/dbraw/zinc/24/08/77/155240877.db2.gz CRXWPGXLNAOONI-GXSJLCMTSA-N -1 3 262.309 1.409 10 0 CDAEHM CC(C)c1cc(C(=O)NCc2ncccc2[O-])n(C)n1 ZINC000352516126 155243072 /nfs/dbraw/zinc/24/30/72/155243072.db2.gz KDMVDZBAZZGDIA-UHFFFAOYSA-N -1 3 274.324 1.574 10 0 CDAEHM COc1cc(NC(=O)NCc2ncccc2[O-])ccn1 ZINC000352520052 155246733 /nfs/dbraw/zinc/24/67/33/155246733.db2.gz UTKVMRFHBQWDLI-UHFFFAOYSA-N -1 3 274.280 1.513 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-][C@@H]2CCC[C@H](CO)C2)c1 ZINC000334889510 150040182 /nfs/dbraw/zinc/04/01/82/150040182.db2.gz ZXQLPQBYEGMYGH-WDEREUQCSA-N -1 3 289.422 1.886 10 0 CDAEHM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000335039443 150215540 /nfs/dbraw/zinc/21/55/40/150215540.db2.gz CZTOAXNILRHZAR-NXEZZACHSA-N -1 3 259.327 1.434 10 0 CDAEHM CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C)o2)C1 ZINC000335370091 150597215 /nfs/dbraw/zinc/59/72/15/150597215.db2.gz BNDAYBUGOLRPCT-VHSXEESVSA-N -1 3 259.327 1.434 10 0 CDAEHM C[C@H]1CCN(S(=O)(=O)c2ccc([O-])cc2)CCS1 ZINC000336230924 151377908 /nfs/dbraw/zinc/37/79/08/151377908.db2.gz DLZUUSVNRXGOAF-JTQLQIEISA-N -1 3 287.406 1.908 10 0 CDAEHM CN(C)c1cccc(NC(=O)NCc2ncccc2[O-])n1 ZINC000346921096 153349941 /nfs/dbraw/zinc/34/99/41/153349941.db2.gz VNEVSMSGCCRAQW-UHFFFAOYSA-N -1 3 287.323 1.570 10 0 CDAEHM O=C(NCCc1cccs1)NCc1ncccc1[O-] ZINC000349177479 154063662 /nfs/dbraw/zinc/06/36/62/154063662.db2.gz CGESRQOOIPLMGY-UHFFFAOYSA-N -1 3 277.349 1.891 10 0 CDAEHM C[C@@H](Cc1ccncc1)NC(=O)NCc1ncccc1[O-] ZINC000349490040 154122817 /nfs/dbraw/zinc/12/28/17/154122817.db2.gz FTKHFSPEPSHJGV-NSHDSACASA-N -1 3 286.335 1.613 10 0 CDAEHM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cnc(C)s2)C1 ZINC000349985485 154298212 /nfs/dbraw/zinc/29/82/12/154298212.db2.gz SLXPAXBXEJMSNQ-RKDXNWHRSA-N -1 3 276.383 1.297 10 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3 264.297 1.481 10 0 CDAEHM CC(C)(C)n1nnc(-c2nc(-c3ccc([O-])cc3)no2)n1 ZINC000656747379 413613011 /nfs/dbraw/zinc/61/30/11/413613011.db2.gz JQVJLHJVNTWLJG-UHFFFAOYSA-N -1 3 286.295 1.851 10 0 CDAEHM CCc1ccc2[nH]c([C@]3(C)NC(=O)[N-]C3=O)cc2c1 ZINC000222610844 413706580 /nfs/dbraw/zinc/70/65/80/413706580.db2.gz BXZCEQZKSPCBBQ-AWEZNQCLSA-N -1 3 257.293 1.785 10 0 CDAEHM C[C@H](C(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-])[C@H](N)c1ccccc1 ZINC000656856420 413762652 /nfs/dbraw/zinc/76/26/52/413762652.db2.gz HODPAYSNNDACJA-IMIFBBOLSA-N -1 3 290.363 1.787 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](CO)C2CCC2)c(F)c1 ZINC000657055129 413877934 /nfs/dbraw/zinc/87/79/34/413877934.db2.gz CIYLGUHIXWEAGC-LBPRGKRZSA-N -1 3 287.356 1.573 10 0 CDAEHM CN1c2ccccc2C[C@@H]([N-]S(=O)(=O)C2(C)CC2)C1=O ZINC000657071667 413903481 /nfs/dbraw/zinc/90/34/81/413903481.db2.gz VMXTUUREIZWGKA-LLVKDONJSA-N -1 3 294.376 1.046 10 0 CDAEHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2cscn2)O1 ZINC000657152908 413979370 /nfs/dbraw/zinc/97/93/70/413979370.db2.gz KZEZWDKBUOAWNU-DTWKUNHWSA-N -1 3 276.383 1.379 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-]CC[C@@]2(C)CC2(F)F)cn1C ZINC000657158995 413987837 /nfs/dbraw/zinc/98/78/37/413987837.db2.gz BVPVZYHCNRDIJR-JTQLQIEISA-N -1 3 293.339 1.442 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-][C@@H]2C[C@H](O)C23CCC3)c1 ZINC000657188761 414025436 /nfs/dbraw/zinc/02/54/36/414025436.db2.gz SIMVHTXGACIUAH-ZJUUUORDSA-N -1 3 287.406 1.638 10 0 CDAEHM O=C([O-])[C@@H](NC1CC1)c1cc2c(c(Cl)c1)OCO2 ZINC000037183562 173015837 /nfs/dbraw/zinc/01/58/37/173015837.db2.gz NVYREUNEKMQOTK-JTQLQIEISA-N -1 3 269.684 1.946 10 0 CDAEHM CC[C@H]1COCCN1CC(=O)c1cc(F)ccc1[O-] ZINC000037340098 173141153 /nfs/dbraw/zinc/14/11/53/173141153.db2.gz KRNLEMKUCNMSIO-NSHDSACASA-N -1 3 267.300 1.825 10 0 CDAEHM O=C([O-])c1ccc(CN2CC[C@H]3COC[C@H]3C2)s1 ZINC000659802762 414134936 /nfs/dbraw/zinc/13/49/36/414134936.db2.gz UZZICHBXAHFFPU-VHSXEESVSA-N -1 3 267.350 1.915 10 0 CDAEHM CNCc1ccccc1NC(=O)c1ncccc1[O-] ZINC000037760320 173687165 /nfs/dbraw/zinc/68/71/65/173687165.db2.gz PDTDLZLJBDEICR-UHFFFAOYSA-N -1 3 257.293 1.759 10 0 CDAEHM CC(C)[C@H](N[C@@H]1CCN(CC(=O)[O-])C1=O)c1ccccc1 ZINC000662211300 414564801 /nfs/dbraw/zinc/56/48/01/414564801.db2.gz OCFIXBXFDLFDCO-HIFRSBDPSA-N -1 3 290.363 1.659 10 0 CDAEHM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1CC(=O)N1CCCCC1 ZINC000662223412 414571127 /nfs/dbraw/zinc/57/11/27/414571127.db2.gz KYPVTZVYHVMAEB-AGIUHOORSA-N -1 3 282.384 1.573 10 0 CDAEHM CCN(CCC(=O)[O-])CC(=O)NCc1ccccc1Cl ZINC000038025032 174008767 /nfs/dbraw/zinc/00/87/67/174008767.db2.gz ZUALMHWAPINZOS-UHFFFAOYSA-N -1 3 298.770 1.753 10 0 CDAEHM CCN(CCC(=O)[O-])CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000038025050 174009257 /nfs/dbraw/zinc/00/92/57/174009257.db2.gz YNIDQPSXNNKYTO-NWDGAFQWSA-N -1 3 270.373 1.478 10 0 CDAEHM O=C([O-])c1cccc(NC(=O)CNC2CCCC2)c1 ZINC000040431406 174260258 /nfs/dbraw/zinc/26/02/58/174260258.db2.gz SHYWDSLIXWIRIN-UHFFFAOYSA-N -1 3 262.309 1.856 10 0 CDAEHM CC[C@H](C)[C@@H](NC(=O)C1(N)CCCCC1)C(=O)[O-] ZINC000040472416 174280435 /nfs/dbraw/zinc/28/04/35/174280435.db2.gz ITPXBVZKDCBGHH-VHSXEESVSA-N -1 3 256.346 1.264 10 0 CDAEHM CC(C)(C)[C@H](N)C(=O)Nc1ccccc1C(=O)[O-] ZINC000040472855 174281234 /nfs/dbraw/zinc/28/12/34/174281234.db2.gz XFIWUFKCQUHCDC-SNVBAGLBSA-N -1 3 250.298 1.697 10 0 CDAEHM CCC[C@H](N)C(=O)Nc1cc(F)ccc1C(=O)[O-] ZINC000040473689 174281557 /nfs/dbraw/zinc/28/15/57/174281557.db2.gz VSNPYROURZFOKA-VIFPVBQESA-N -1 3 254.261 1.590 10 0 CDAEHM CC[C@@H](C)NCC(=O)N1c2ccccc2C[C@@H]1C(=O)[O-] ZINC000040480746 174284594 /nfs/dbraw/zinc/28/45/94/174284594.db2.gz CJFLTEDHAOJCQR-ZWNOBZJWSA-N -1 3 276.336 1.417 10 0 CDAEHM CC[C@H](N)C(=O)NC1(C(=O)[O-])CCC(CC)CC1 ZINC000040481437 174285436 /nfs/dbraw/zinc/28/54/36/174285436.db2.gz UTOUSWAPEDVJRC-QUNCOHTASA-N -1 3 256.346 1.264 10 0 CDAEHM CCC1CCC(NC(=O)[C@H](N)C(C)C)(C(=O)[O-])CC1 ZINC000040481409 174285515 /nfs/dbraw/zinc/28/55/15/174285515.db2.gz XGRWERCZBOMKTK-IQLKVPPVSA-N -1 3 270.373 1.510 10 0 CDAEHM CC(C)C[C@@H](N)C(=O)N(CCCC(=O)[O-])C(C)C ZINC000040485384 174288823 /nfs/dbraw/zinc/28/88/23/174288823.db2.gz CQMPNGCHIMMRPW-LLVKDONJSA-N -1 3 258.362 1.462 10 0 CDAEHM CC(C)c1nnc(SCC(=O)[O-])n1[C@@H]1CCCN(C)C1 ZINC000040715920 174383202 /nfs/dbraw/zinc/38/32/02/174383202.db2.gz GKGYBJWSGBONRG-SNVBAGLBSA-N -1 3 298.412 1.845 10 0 CDAEHM C[C@@H](C(=O)N[C@](C)(C(=O)[O-])C1CC1)N1[C@@H](C)CC[C@@H]1C ZINC000043559560 175065531 /nfs/dbraw/zinc/06/55/31/175065531.db2.gz FBJCGVGCCYRZEB-VEABSNGSSA-N -1 3 282.384 1.617 10 0 CDAEHM C[C@@H](Nc1cccc2c(=O)[n-][nH]c(=O)c12)c1cnn(C)c1 ZINC000044494594 175182198 /nfs/dbraw/zinc/18/21/98/175182198.db2.gz UUZSHPBIFSUPPY-MRVPVSSYSA-N -1 3 285.307 1.535 10 0 CDAEHM CN1CCC[C@@H](CNC(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC000044559976 175204226 /nfs/dbraw/zinc/20/42/26/175204226.db2.gz SBFSOROFOSNXSB-LBPRGKRZSA-N -1 3 297.399 1.415 10 0 CDAEHM CCCC[C@H](N)C(=O)N1CCc2sccc2[C@@H]1C(=O)[O-] ZINC000044592651 175213860 /nfs/dbraw/zinc/21/38/60/175213860.db2.gz ONFUFDDDRBIIIR-CMPLNLGQSA-N -1 3 296.392 1.776 10 0 CDAEHM CC[C@@H](C(=O)[O-])N(C)C(=O)N(C)C1CCN(CC)CC1 ZINC000044646361 175222843 /nfs/dbraw/zinc/22/28/43/175222843.db2.gz BETQBEYJEGZGJE-LBPRGKRZSA-N -1 3 285.388 1.318 10 0 CDAEHM O=C([O-])c1ccccc1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044692921 175234108 /nfs/dbraw/zinc/23/41/08/175234108.db2.gz DFKSEJUGBMOBPY-SNVBAGLBSA-N -1 3 274.320 1.351 10 0 CDAEHM CC[C@H](C)[C@H](NC(=O)NC[C@H](C)N1CCCCC1)C(=O)[O-] ZINC000045013386 175290294 /nfs/dbraw/zinc/29/02/94/175290294.db2.gz GDFYGSIHOUIURF-AVGNSLFASA-N -1 3 299.415 1.659 10 0 CDAEHM C[C@@H](CNc1nnc(SCC(=O)[O-])s1)N(C)C ZINC000045108414 175309081 /nfs/dbraw/zinc/30/90/81/175309081.db2.gz JFZDAXCADHTPCM-LURJTMIESA-N -1 3 276.387 1.077 10 0 CDAEHM COc1nc(OC)nc(Sc2ccc([O-])cc2)n1 ZINC000061452362 175645863 /nfs/dbraw/zinc/64/58/63/175645863.db2.gz SELBQUKBKGDSDO-UHFFFAOYSA-N -1 3 265.294 1.746 10 0 CDAEHM CN(C)C(C)(C)C[N-]S(=O)(=O)c1cnccc1Cl 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/nfs/dbraw/zinc/52/43/39/424524339.db2.gz BUWLCIMDQVMRHY-VIFPVBQESA-N -1 3 263.345 1.590 10 0 CDAEHM CC[C@H](CC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1)C(C)C ZINC000651979029 424611229 /nfs/dbraw/zinc/61/12/29/424611229.db2.gz SOGIVNCQQBZSNZ-VXGBXAGGSA-N -1 3 293.415 1.963 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(F)cn2)n[n-]1 ZINC000182734924 270250374 /nfs/dbraw/zinc/25/03/74/270250374.db2.gz BPEIJGCZRUIGQO-UHFFFAOYSA-N -1 3 286.270 1.597 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(F)cn2)[n-]n1 ZINC000182734924 270250376 /nfs/dbraw/zinc/25/03/76/270250376.db2.gz BPEIJGCZRUIGQO-UHFFFAOYSA-N -1 3 286.270 1.597 10 0 CDAEHM C[C@]1(Br)C[C@H]1C(=O)[N-]OCC(F)F ZINC000529032557 270899690 /nfs/dbraw/zinc/89/96/90/270899690.db2.gz VNJBKKPISJSQEP-FFWSUHOLSA-N -1 3 258.062 1.473 10 0 CDAEHM O=C(c1ccccc1[O-])N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000530069847 271096358 /nfs/dbraw/zinc/09/63/58/271096358.db2.gz KBEYPOINOPJWJI-FDMGOTLNSA-N -1 3 279.361 1.518 10 0 CDAEHM CO[C@@]1(C(=O)[O-])CCN(C[C@@H](O)c2ccccc2C)C1 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10 0 CDAEHM COc1cc(=NC(=O)COc2cc(C)ccc2C)[n-]n1C ZINC000548472091 289891601 /nfs/dbraw/zinc/89/16/01/289891601.db2.gz DNLLYVUAJMYISE-UHFFFAOYSA-N -1 3 289.335 1.485 10 0 CDAEHM Cn1cnc(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)c1 ZINC000554664924 290187015 /nfs/dbraw/zinc/18/70/15/290187015.db2.gz DPSHJFBGXWMNQH-UHFFFAOYSA-N -1 3 285.291 1.287 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2CCOCC3(CC3)C2)n1 ZINC000556093384 290253330 /nfs/dbraw/zinc/25/33/30/290253330.db2.gz DUKMKBAILIKYES-NSHDSACASA-N -1 3 263.341 1.664 10 0 CDAEHM COc1cc(=NC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)[n-]n1C ZINC000556246036 290260547 /nfs/dbraw/zinc/26/05/47/290260547.db2.gz VVWRWTJTFDLXAY-GMTAPVOTSA-N -1 3 265.357 1.861 10 0 CDAEHM CC(C)n1cnc(S(=O)(=O)[N-]CC2=CCOCC2)c1 ZINC000556336709 290264766 /nfs/dbraw/zinc/26/47/66/290264766.db2.gz HSHBWSYIFYNADA-UHFFFAOYSA-N -1 3 285.369 1.089 10 0 CDAEHM COc1ccc([N-]S(=O)(=O)N2CCC2)c2ncccc12 ZINC000556800911 290300989 /nfs/dbraw/zinc/30/09/89/290300989.db2.gz PBUIIEKHZVRWQM-UHFFFAOYSA-N -1 3 293.348 1.606 10 0 CDAEHM CC(C)OCCCC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000558400490 290390486 /nfs/dbraw/zinc/39/04/86/290390486.db2.gz CHDZFRHGRGOLFY-NSHDSACASA-N -1 3 295.387 1.096 10 0 CDAEHM O=C(Cc1ccc2c(c1)CCCO2)NCc1ncccc1[O-] ZINC000563194828 293305593 /nfs/dbraw/zinc/30/55/93/293305593.db2.gz XQNZHABJUAQZOV-UHFFFAOYSA-N -1 3 298.342 1.971 10 0 CDAEHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(C)c1[O-] ZINC000081580148 293511164 /nfs/dbraw/zinc/51/11/64/293511164.db2.gz BSBICYLZMKTSBZ-LBPRGKRZSA-N -1 3 286.335 1.865 10 0 CDAEHM COc1cnccc1[C@H](C)[N-]S(=O)(=O)c1cscn1 ZINC000568388555 294026400 /nfs/dbraw/zinc/02/64/00/294026400.db2.gz FPFLDURPVHRAPR-QMMMGPOBSA-N -1 3 299.377 1.586 10 0 CDAEHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CC2)c1 ZINC000574011794 294927692 /nfs/dbraw/zinc/92/76/92/294927692.db2.gz QRDWDLZGJFQYHD-RYUDHWBXSA-N -1 3 283.397 1.788 10 0 CDAEHM CCCn1cc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)cn1 ZINC000574877706 295068251 /nfs/dbraw/zinc/06/82/51/295068251.db2.gz MMFSXHAJXKDXHQ-WCQYABFASA-N -1 3 265.357 1.836 10 0 CDAEHM Cc1ccc(C(=O)N2CCO[C@@]3(CCCOC3)C2)c([O-])c1 ZINC000286416364 301510933 /nfs/dbraw/zinc/51/09/33/301510933.db2.gz QASTUJNWKNYGCP-INIZCTEOSA-N -1 3 291.347 1.722 10 0 CDAEHM COc1cc(CNC(=O)NCc2ncccc2[O-])ccn1 ZINC000349415658 316122603 /nfs/dbraw/zinc/12/26/03/316122603.db2.gz OASNSJPDZWRDPE-UHFFFAOYSA-N -1 3 288.307 1.190 10 0 CDAEHM C[C@@H](NC(=O)N=c1cc2ccccn2[n-]1)c1cn[nH]c1 ZINC000570115426 316915430 /nfs/dbraw/zinc/91/54/30/316915430.db2.gz IHUFJMULBUNRLO-SECBINFHSA-N -1 3 270.296 1.362 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@]2(CCOC2)C1 ZINC000576550546 317160167 /nfs/dbraw/zinc/16/01/67/317160167.db2.gz UTRHQHZLTSIKCU-OAHLLOKOSA-N -1 3 295.310 1.092 10 0 CDAEHM COc1cc(=NC(=O)N[C@@H]2C[C@H]2C(C)C)[n-]n1C ZINC000576563456 317161772 /nfs/dbraw/zinc/16/17/72/317161772.db2.gz ZJKGWIPZXBZZGP-DTWKUNHWSA-N -1 3 252.318 1.017 10 0 CDAEHM C[C@H]1CCC[C@H](CC[N-]S(=O)(=O)c2ccn(C)n2)C1 ZINC000576869069 317221511 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482325145 /nfs/dbraw/zinc/32/51/45/482325145.db2.gz GGQDOFDQVLAHIW-UHFFFAOYSA-N -1 3 287.367 1.151 10 0 CDAEHM CC1=C(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)CCC1 ZINC000651977901 482447596 /nfs/dbraw/zinc/44/75/96/482447596.db2.gz GUJJCMMVXPSMQN-NSHDSACASA-N -1 3 275.356 1.392 10 0 CDAEHM Cc1nn(C)cc1S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000672430767 482583280 /nfs/dbraw/zinc/58/32/80/482583280.db2.gz FRARMYSFCHMTOY-VIFPVBQESA-N -1 3 279.312 1.195 10 0 CDAEHM C[C@@H](C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)C1CCCC1 ZINC000684077991 482633835 /nfs/dbraw/zinc/63/38/35/482633835.db2.gz AGHBAHBOHOVZPY-BMIGLBTASA-N -1 3 293.367 1.013 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N2C[C@H](O)CC(F)(F)C2)n1 ZINC000684097749 482647027 /nfs/dbraw/zinc/64/70/27/482647027.db2.gz OFENUKXUETWGHW-RKDXNWHRSA-N -1 3 273.283 1.254 10 0 CDAEHM Cn1cncc1CCC(=O)Nc1c([O-])cccc1F ZINC000684469493 482832264 /nfs/dbraw/zinc/83/22/64/482832264.db2.gz AVUZLVVYMMDCCU-UHFFFAOYSA-N -1 3 263.272 1.836 10 0 CDAEHM C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1c([O-])cc(F)cc1F ZINC000675148271 483233231 /nfs/dbraw/zinc/23/32/31/483233231.db2.gz IPCCPVOYWTVREH-PRHODGIISA-N -1 3 296.317 1.883 10 0 CDAEHM CCc1ccc(C(=O)NC2(CCO)CCOCC2)c([O-])c1 ZINC000682527626 483271075 /nfs/dbraw/zinc/27/10/75/483271075.db2.gz RNLPYHTZKHAQEU-UHFFFAOYSA-N -1 3 293.363 1.616 10 0 CDAEHM Cc1nc(C)c(CCC(=O)N2CC[C@@H](C)[C@@H](F)C2)c(=O)[n-]1 ZINC000679248477 483313533 /nfs/dbraw/zinc/31/35/33/483313533.db2.gz CNAHDVTXXRXOSY-RNCFNFMXSA-N -1 3 295.358 1.938 10 0 CDAEHM COc1nnc([N-]C(=O)c2scnc2C)s1 ZINC000682680381 483327075 /nfs/dbraw/zinc/32/70/75/483327075.db2.gz JDHDQCCTXWLNQM-UHFFFAOYSA-N -1 3 256.312 1.564 10 0 CDAEHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@H](OC(F)F)C1 ZINC000679716697 483428618 /nfs/dbraw/zinc/42/86/18/483428618.db2.gz MSBDCQAWJQLXIS-VIFPVBQESA-N -1 3 296.277 1.802 10 0 CDAEHM COc1nnc([N-]C(=O)c2cnc(C(C)(C)C)nc2)s1 ZINC000676695539 483562280 /nfs/dbraw/zinc/56/22/80/483562280.db2.gz ONUBAMFOUCBASS-UHFFFAOYSA-N -1 3 293.352 1.887 10 0 CDAEHM CCO[C@@H](CN(CC)Cc1ccncc1)C(=O)[O-] ZINC000062754186 520308078 /nfs/dbraw/zinc/30/80/78/520308078.db2.gz FZKXWKZGEWSXLU-LBPRGKRZSA-N -1 3 252.314 1.393 10 0 CDAEHM CCN(CC(=O)N(C)C1=CCCC1)[C@H](C)CC(=O)[O-] ZINC000061182637 520303002 /nfs/dbraw/zinc/30/30/02/520303002.db2.gz QUKYMFMEDYXFRK-LLVKDONJSA-N -1 3 268.357 1.698 10 0 CDAEHM CCN(CC(=O)NC1CCCCC1)C[C@H](C)C(=O)[O-] ZINC000061220994 520330291 /nfs/dbraw/zinc/33/02/91/520330291.db2.gz BPAYWHHRKZTXPY-NSHDSACASA-N -1 3 270.373 1.478 10 0 CDAEHM CCN(CC(=O)NCc1ccc(C)cc1)[C@H](C)CC(=O)[O-] ZINC000061182504 520335030 /nfs/dbraw/zinc/33/50/30/520335030.db2.gz OYRQXSOLQBFZPH-CYBMUJFWSA-N -1 3 292.379 1.796 10 0 CDAEHM CCN(CC(=O)NCCc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000061218355 520336793 /nfs/dbraw/zinc/33/67/93/520336793.db2.gz RRWFTOIATVLVGM-CYBMUJFWSA-N -1 3 292.379 1.388 10 0 CDAEHM CCN(CC)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000049205628 520514439 /nfs/dbraw/zinc/51/44/39/520514439.db2.gz UFSSXBOFCXAIQE-UHFFFAOYSA-N -1 3 261.281 1.444 10 0 CDAEHM CCC[C@@H](NC(=O)N[C@H](CC(C)C)CN(C)C)C(=O)[O-] ZINC000049560902 520744272 /nfs/dbraw/zinc/74/42/72/520744272.db2.gz BYYCSULUTJMHSO-VXGBXAGGSA-N -1 3 287.404 1.515 10 0 CDAEHM CCC[C@H](CC)NC(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000061146367 521074987 /nfs/dbraw/zinc/07/49/87/521074987.db2.gz LIYWWEGVYDIPEN-LBPRGKRZSA-N -1 3 285.388 1.367 10 0 CDAEHM CCN(Cc1cc(=O)n2ccsc2n1)[C@H](C)CC(=O)[O-] ZINC000061183489 521284202 /nfs/dbraw/zinc/28/42/02/521284202.db2.gz YYCPUXWJVQRROQ-SECBINFHSA-N -1 3 295.364 1.441 10 0 CDAEHM CCN1CCC[C@@H](Nc2nc3ccccn3c2C(=O)[O-])C1 ZINC000049225894 521627234 /nfs/dbraw/zinc/62/72/34/521627234.db2.gz IRDBDTMNLJNZBV-LLVKDONJSA-N -1 3 288.351 1.929 10 0 CDAEHM CCN1CCC[C@H](NC(=O)N2CCCC[C@@H]2CC(=O)[O-])C1 ZINC000049227931 521644933 /nfs/dbraw/zinc/64/49/33/521644933.db2.gz HWLOCMIJNDTSLY-QWHCGFSZSA-N -1 3 297.399 1.510 10 0 CDAEHM CCS(=O)(=O)[N-]c1cc(Cl)ccc1-n1cncn1 ZINC000070243518 521684420 /nfs/dbraw/zinc/68/44/20/521684420.db2.gz RWULKRVZPRXRGH-UHFFFAOYSA-N -1 3 286.744 1.682 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2ccc3c(c2)CC(=O)N3)c[n-]1 ZINC000340339027 521816273 /nfs/dbraw/zinc/81/62/73/521816273.db2.gz ALYWBYTUTMQHJF-UHFFFAOYSA-N -1 3 299.286 1.548 10 0 CDAEHM CN(C)C[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000061653822 521832565 /nfs/dbraw/zinc/83/25/65/521832565.db2.gz BMPVTSKSBZFQST-ZDUSSCGKSA-N -1 3 291.351 1.943 10 0 CDAEHM CN(C)C[C@@H]1CCCN1C(=O)Nc1ccccc1C(=O)[O-] ZINC000061653868 521832587 /nfs/dbraw/zinc/83/25/87/521832587.db2.gz QGXVURDHRIIUJH-NSHDSACASA-N -1 3 291.351 1.943 10 0 CDAEHM CN(CCc1ccncc1)Cc1cccnc1C(=O)[O-] ZINC000062752848 522978060 /nfs/dbraw/zinc/97/80/60/522978060.db2.gz RUBIVRZKVHLPJK-UHFFFAOYSA-N -1 3 271.320 1.849 10 0 CDAEHM CCn1c(C)nnc1CS(=O)(=O)c1cccc([O-])c1 ZINC000183994985 523157092 /nfs/dbraw/zinc/15/70/92/523157092.db2.gz ILKHFTHSZPQRRX-UHFFFAOYSA-N -1 3 281.337 1.286 10 0 CDAEHM COCCCCS(=O)(=O)[N-][C@@H](COC)c1ccco1 ZINC000185017269 523186828 /nfs/dbraw/zinc/18/68/28/523186828.db2.gz SGIYZALBTZXYJA-NSHDSACASA-N -1 3 291.369 1.313 10 0 CDAEHM CC[C@H]1CN(S(=O)(=O)c2ccc([O-])cc2)CCS1 ZINC000157825867 523299319 /nfs/dbraw/zinc/29/93/19/523299319.db2.gz GYLMXRTZSWUZPY-NSHDSACASA-N -1 3 287.406 1.908 10 0 CDAEHM COc1ccc(C(=O)[N-]c2n[nH]c(C3CCC3)n2)nn1 ZINC000184545568 523762459 /nfs/dbraw/zinc/76/24/59/523762459.db2.gz NEUAOMXYYSPUPO-UHFFFAOYSA-N -1 3 274.284 1.123 10 0 CDAEHM COC(=O)[C@H]1C[C@@H]1C(=O)[N-]OCc1ccc(F)cc1 ZINC000184144926 523986106 /nfs/dbraw/zinc/98/61/06/523986106.db2.gz PBPXDYGKCTXTTG-QWRGUYRKSA-N -1 3 267.256 1.183 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1 ZINC000163911703 523998249 /nfs/dbraw/zinc/99/82/49/523998249.db2.gz XPWNOIUJRXBSNL-BETUJISGSA-N -1 3 274.364 1.921 10 0 CDAEHM C[C@@H](CN1CCCC1)NC(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000049187456 524589631 /nfs/dbraw/zinc/58/96/31/524589631.db2.gz WPZHLNZRVCGSBS-QWHCGFSZSA-N -1 3 297.399 1.510 10 0 CDAEHM C[C@H](CS(C)(=O)=O)C(=O)[N-]OCc1ccc(F)cc1 ZINC000184138414 524600815 /nfs/dbraw/zinc/60/08/15/524600815.db2.gz BHGCHCBDQYOYMZ-SECBINFHSA-N -1 3 289.328 1.054 10 0 CDAEHM Cc1cc(C[C@@H](C)NC(=O)c2cccc([O-])c2)[nH]n1 ZINC000182831219 524826396 /nfs/dbraw/zinc/82/63/96/524826396.db2.gz ZYWYGXLISMZUSG-SECBINFHSA-N -1 3 259.309 1.785 10 0 CDAEHM C[C@H](Oc1ccc2c([O-])coc2c1)C(=O)NC1CC1 ZINC000062805369 525939667 /nfs/dbraw/zinc/93/96/67/525939667.db2.gz PDPSCDROKGZGCN-QMMMGPOBSA-N -1 3 261.277 1.308 10 0 CDAEHM Cc1nnc(N[C@@H]2CN3CCC2CC3)c(C(=O)[O-])c1C ZINC000054527435 526374208 /nfs/dbraw/zinc/37/42/08/526374208.db2.gz LWBZMMKCUZRAKS-LLVKDONJSA-N -1 3 276.340 1.298 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCCO1 ZINC000155748811 526808944 /nfs/dbraw/zinc/80/89/44/526808944.db2.gz SMESWQKGUFXMQA-GFCCVEGCSA-N -1 3 290.319 1.161 10 0 CDAEHM Cc1nc(N(C)C2CCN(C)CC2)sc1C(=O)[O-] ZINC000054967887 526949700 /nfs/dbraw/zinc/94/97/00/526949700.db2.gz PUBRGPJTWVPRLG-UHFFFAOYSA-N -1 3 269.370 1.680 10 0 CDAEHM O=C(Nc1ccc2c(c1)NCCC2)c1cc(=O)[n-]c(=O)[nH]1 ZINC000069052972 527283344 /nfs/dbraw/zinc/28/33/44/527283344.db2.gz UVEIZRWWTDXMDC-UHFFFAOYSA-N -1 3 286.291 1.086 10 0 CDAEHM NN=c1s[n-]nc1COc1ccc2c(c1)CCC(=O)N2 ZINC000051148560 527288396 /nfs/dbraw/zinc/28/83/96/527288396.db2.gz TYKAUUIDKBKTTR-UHFFFAOYSA-N -1 3 291.336 1.287 10 0 CDAEHM O=C([O-])CN1CCCN(C(=O)NC2CCCCCC2)CC1 ZINC000061145627 527608895 /nfs/dbraw/zinc/60/88/95/527608895.db2.gz AKCLLQMIZLOGTM-UHFFFAOYSA-N -1 3 297.399 1.511 10 0 CDAEHM O=C([O-])C[C@H](NC(=O)N1CCCNCC1)c1ccccc1 ZINC000048834620 527632777 /nfs/dbraw/zinc/63/27/77/527632777.db2.gz NNSZWJIBFYRUGW-ZDUSSCGKSA-N -1 3 291.351 1.207 10 0 CDAEHM CCC[C@@](C)(O)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000155511532 527906424 /nfs/dbraw/zinc/90/64/24/527906424.db2.gz JMSHWHUKOBYZAO-CQSZACIVSA-N -1 3 289.339 1.280 10 0 CDAEHM CCC[C@@](C)(O)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000155511532 527906431 /nfs/dbraw/zinc/90/64/31/527906431.db2.gz JMSHWHUKOBYZAO-CQSZACIVSA-N -1 3 289.339 1.280 10 0 CDAEHM Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@H](O)C3 ZINC000015266973 560229983 /nfs/dbraw/zinc/22/99/83/560229983.db2.gz VOTLUFSYIRHICX-GFCCVEGCSA-N -1 3 276.288 1.881 10 0 biogenic,in-vitro CDAEHM Cc1cc(=O)[n-]c(CN[C@@H](CCO)c2ccccc2)n1 ZINC000774852300 575246715 /nfs/dbraw/zinc/24/67/15/575246715.db2.gz QQHULSHOZYRPML-ZDUSSCGKSA-N -1 3 273.336 1.704 10 0 CDAEHM CC[C@](C)(CC(=O)OC)NC(=O)/C=C\c1cncc([O-])c1 ZINC000770500426 575456489 /nfs/dbraw/zinc/45/64/89/575456489.db2.gz DKLXTHFKKUWAHM-IYKSTZQJSA-N -1 3 292.335 1.648 10 0 CDAEHM CC[C@](C)(CC(=O)OC)NC(=O)/C=C/c1cncc([O-])c1 ZINC000770500428 575456603 /nfs/dbraw/zinc/45/66/03/575456603.db2.gz DKLXTHFKKUWAHM-LLYBFZRZSA-N -1 3 292.335 1.648 10 0 CDAEHM CC1(C)Cc2ccc(C(=O)N[C@H](CO)C3CC3)c([O-])c2O1 ZINC000771041630 575536808 /nfs/dbraw/zinc/53/68/08/575536808.db2.gz JPDKYZKYBULXSE-GFCCVEGCSA-N -1 3 291.347 1.606 10 0 CDAEHM C/C=C\COC(=O)[C@H](CCSC)[N-]S(=O)(=O)CC ZINC000771582927 575594266 /nfs/dbraw/zinc/59/42/66/575594266.db2.gz UPLLNTJULSONGG-OAQKJQOQSA-N -1 3 295.426 1.167 10 0 CDAEHM CC(C)[C@@H]1C[C@@H]1C(=O)OCc1nc2c(cnn2C)c(=O)[n-]1 ZINC000772493645 575709780 /nfs/dbraw/zinc/70/97/80/575709780.db2.gz RFRLBTBJPLGFRI-IUCAKERBSA-N -1 3 290.323 1.404 10 0 CDAEHM C[C@H](COC(=O)c1c([O-])cccc1F)CS(C)(=O)=O ZINC000772583649 575725459 /nfs/dbraw/zinc/72/54/59/575725459.db2.gz ZLQJFALZUYJLML-MRVPVSSYSA-N -1 3 290.312 1.369 10 0 CDAEHM O=C(CN1CC[C@H](C(F)F)C1)[N-]OCc1ccccc1 ZINC000772271064 575742451 /nfs/dbraw/zinc/74/24/51/575742451.db2.gz ABJZXVVHESGAHU-LBPRGKRZSA-N -1 3 284.306 1.821 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccco2)o1 ZINC000773302574 575799514 /nfs/dbraw/zinc/79/95/14/575799514.db2.gz PUFYBLOWBROEKM-SECBINFHSA-N -1 3 271.294 1.193 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CSCCS2)o1 ZINC000773323966 575801789 /nfs/dbraw/zinc/80/17/89/575801789.db2.gz FRXZVEQYCBOILF-VIFPVBQESA-N -1 3 293.435 1.715 10 0 CDAEHM CCO[N-]C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000759986490 576450735 /nfs/dbraw/zinc/45/07/35/576450735.db2.gz RSXDISILSYMQGI-UHFFFAOYSA-N -1 3 295.343 1.015 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCSC[C@@H](C)C2)n1 ZINC000753836657 576861194 /nfs/dbraw/zinc/86/11/94/576861194.db2.gz BJQBIDLJDZQAJI-VIFPVBQESA-N -1 3 253.371 1.676 10 0 CDAEHM O=C([N-]CCc1cnc(C2CC2)nc1)C(F)(F)C(F)F ZINC000756083588 576976508 /nfs/dbraw/zinc/97/65/08/576976508.db2.gz CMKJEAMVCPCICT-UHFFFAOYSA-N -1 3 291.248 1.913 10 0 CDAEHM CCCC[C@@H](CCC)OC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000751568233 577050982 /nfs/dbraw/zinc/05/09/82/577050982.db2.gz USMJIHANLQVTAV-ZJUUUORDSA-N -1 3 270.329 1.487 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CC(=O)NC[C@H]2c2ccccc2)n1 ZINC000933325603 617392907 /nfs/dbraw/zinc/39/29/07/617392907.db2.gz QKXDJTATFSHGCW-ZDUSSCGKSA-N -1 3 298.346 1.164 10 0 CDAEHM O=c1cc(-c2noc(C[C@@H]3CC[C@@H](C4CC4)O3)n2)nc[n-]1 ZINC000924106853 617454885 /nfs/dbraw/zinc/45/48/85/617454885.db2.gz RBRIINGFKMXIEX-ONGXEEELSA-N -1 3 288.307 1.732 10 0 CDAEHM CCOC(=O)c1nc([C@H](C)NCc2cccnc2C)n[n-]1 ZINC000895236385 619476840 /nfs/dbraw/zinc/47/68/40/619476840.db2.gz QGCHJIMZCKVSBQ-JTQLQIEISA-N -1 3 289.339 1.536 10 0 CDAEHM CCOC(=O)c1nnc([C@H](C)NCc2cccnc2C)[n-]1 ZINC000895236385 619476842 /nfs/dbraw/zinc/47/68/42/619476842.db2.gz QGCHJIMZCKVSBQ-JTQLQIEISA-N -1 3 289.339 1.536 10 0 CDAEHM CCOC(=O)c1n[n-]c([C@H](C)NCc2cccnc2C)n1 ZINC000895236385 619476845 /nfs/dbraw/zinc/47/68/45/619476845.db2.gz QGCHJIMZCKVSBQ-JTQLQIEISA-N -1 3 289.339 1.536 10 0 CDAEHM NC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000897192720 620406371 /nfs/dbraw/zinc/40/63/71/620406371.db2.gz JPMYFTLRINPJFA-SFYZADRCSA-N -1 3 282.727 1.886 10 0 CDAEHM Cc1n[nH]c(C)c1CC(=O)[N-]OCCCC(F)(F)F ZINC000871210175 620577244 /nfs/dbraw/zinc/57/72/44/620577244.db2.gz ACTDZQGHFSCIMC-UHFFFAOYSA-N -1 3 279.262 1.959 10 0 CDAEHM O=C(c1ccc2c(c1)CCO2)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898211104 621365645 /nfs/dbraw/zinc/36/56/45/621365645.db2.gz MDORUEMIZZIXQF-GFCCVEGCSA-N -1 3 299.330 1.680 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC000898211892 621366400 /nfs/dbraw/zinc/36/64/00/621366400.db2.gz XSXBSVQINAXNLN-ZDUSSCGKSA-N -1 3 299.330 1.948 10 0 CDAEHM CC(C)c1cc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)[nH]n1 ZINC000898211642 621366456 /nfs/dbraw/zinc/36/64/56/621366456.db2.gz ROOFFYRPMNGXBU-VIFPVBQESA-N -1 3 289.339 1.592 10 0 CDAEHM O=C(CCc1ccccn1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898213469 621366891 /nfs/dbraw/zinc/36/68/91/621366891.db2.gz WQQDSKGVTZOAHC-LLVKDONJSA-N -1 3 286.335 1.459 10 0 CDAEHM O=C(c1ccc2cc[nH]c2n1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217315 621369655 /nfs/dbraw/zinc/36/96/55/621369655.db2.gz IEOXICMCDJEABS-SNVBAGLBSA-N -1 3 297.318 1.621 10 0 CDAEHM Cc1ncc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c(C)n1 ZINC000898217031 621370149 /nfs/dbraw/zinc/37/01/49/621370149.db2.gz ASTPQKHLZHIOQN-SNVBAGLBSA-N -1 3 287.323 1.152 10 0 CDAEHM C[C@@H]1C[C@H](C)[C@H](C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)O1 ZINC000898222181 621410726 /nfs/dbraw/zinc/41/07/26/621410726.db2.gz RJLBRMLEUAYGOG-DCJFZGGZSA-N -1 3 279.340 1.245 10 0 CDAEHM C[C@]1(c2ccccc2)C[C@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898744528 621854464 /nfs/dbraw/zinc/85/44/64/621854464.db2.gz DIDHFKFRCSKUHX-RVSPLBMKSA-N -1 3 299.374 1.592 10 0 CDAEHM CSc1ccc([O-])c(C(=O)N[C@]23C[C@H]2COC3)c1 ZINC000899243557 622115532 /nfs/dbraw/zinc/11/55/32/622115532.db2.gz GXMYXVRFKZCBOW-SDBXPKJASA-N -1 3 265.334 1.633 10 0 CDAEHM C/C(=C\C(=O)Nc1cccc([O-])c1F)CN1CCOCC1 ZINC000901241908 624032081 /nfs/dbraw/zinc/03/20/81/624032081.db2.gz BTJKNQNGLLVTKX-PKNBQFBNSA-N -1 3 294.326 1.748 10 0 CDAEHM CO[C@H]1C[C@@H](N(C)Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000901473309 624287862 /nfs/dbraw/zinc/28/78/62/624287862.db2.gz BNFZHEHSHXZZPF-DGOAAXQJSA-N -1 3 265.309 1.987 10 0 CDAEHM O=C([O-])[C@@H]1[C@@H]2CN(C[C@H](O)c3ccc(F)cc3F)CC[C@@H]21 ZINC000903627302 626042637 /nfs/dbraw/zinc/04/26/37/626042637.db2.gz JCGAYUAEBQQHCH-HYKPAMGXSA-N -1 3 297.301 1.651 10 0 CDAEHM CC1(C)CN(Cc2ccc(C(=O)[O-])s2)CCN1CCO ZINC000903685081 626054195 /nfs/dbraw/zinc/05/41/95/626054195.db2.gz NJIKXEXPHLBRTR-UHFFFAOYSA-N -1 3 298.408 1.335 10 0 CDAEHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)[C@@H]1CC12CC2 ZINC000910049356 628846221 /nfs/dbraw/zinc/84/62/21/628846221.db2.gz YKIREQMKRZXJJS-NSHDSACASA-N -1 3 269.308 1.529 10 0 CDAEHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)[C@@H]1CC12CC2 ZINC000910049356 628846224 /nfs/dbraw/zinc/84/62/24/628846224.db2.gz YKIREQMKRZXJJS-NSHDSACASA-N -1 3 269.308 1.529 10 0 CDAEHM CC(C)N(C)CC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC000910223195 628911606 /nfs/dbraw/zinc/91/16/06/628911606.db2.gz XEAMJODEVAPHIP-OAHLLOKOSA-N -1 3 284.400 1.866 10 0 CDAEHM CC(C)N1CCC[C@@H]1C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC000910315158 628986778 /nfs/dbraw/zinc/98/67/78/628986778.db2.gz FBEMLZIOCQNGDI-DOMZBBRYSA-N -1 3 282.384 1.619 10 0 CDAEHM CN1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000911508278 629310158 /nfs/dbraw/zinc/31/01/58/629310158.db2.gz IWKAGVPDSYARDU-RQJABVFESA-N -1 3 288.347 1.269 10 0 CDAEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H](C)[C@@H]2CCCO2)n1 ZINC000911808623 629539932 /nfs/dbraw/zinc/53/99/32/629539932.db2.gz FJBWSJDZZIZVBM-MNOVXSKESA-N -1 3 293.367 1.657 10 0 CDAEHM C=C/C(C)=C/CC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911851730 629590470 /nfs/dbraw/zinc/59/04/70/629590470.db2.gz FVXBILATBTUJHN-LLMHMKPQSA-N -1 3 261.325 1.954 10 0 CDAEHM C[C@H](CC(=O)[N-]OC1CCOCC1)[C@H]1CCCO1 ZINC000832390079 631329266 /nfs/dbraw/zinc/32/92/66/631329266.db2.gz NSQSLSJVDWTQDO-ZYHUDNBSSA-N -1 3 257.330 1.418 10 0 CDAEHM COc1ncc(S(=O)(=O)[N-][C@H]2CSC2(C)C)s1 ZINC000915335898 631702250 /nfs/dbraw/zinc/70/22/50/631702250.db2.gz DDJHLMKBXIGDPX-LURJTMIESA-N -1 3 294.423 1.324 10 0 CDAEHM COC(=O)[C@@H](F)C[N-]S(=O)(=O)CCC(C)(C)C1CC1 ZINC000916259636 631948304 /nfs/dbraw/zinc/94/83/04/631948304.db2.gz CAYCMBDRHSPGPR-JTQLQIEISA-N -1 3 295.376 1.243 10 0 CDAEHM Cc1c[nH]nc1CSc1nc2c(cnn2C)c(=O)[n-]1 ZINC000918169493 632333279 /nfs/dbraw/zinc/33/32/79/632333279.db2.gz BKQNNYWSPXZDTD-UHFFFAOYSA-N -1 3 276.325 1.393 10 0 CDAEHM CO[C@]12CCC[C@@]1([N-]S(=O)(=O)CC1CC1)CCO2 ZINC000921315458 632927901 /nfs/dbraw/zinc/92/79/01/632927901.db2.gz GEVIUZKPRDUVPA-NEPJUHHUSA-N -1 3 275.370 1.002 10 0 CDAEHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)C(C)(C)OC)s1 ZINC000921423518 632984212 /nfs/dbraw/zinc/98/42/12/632984212.db2.gz RESCTAKFWBCMOB-QMMMGPOBSA-N -1 3 292.426 1.797 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@]1(C)CCCCO1 ZINC000921678836 633157047 /nfs/dbraw/zinc/15/70/47/633157047.db2.gz PFSQEOPNNGFHJL-LBPRGKRZSA-N -1 3 288.369 1.529 10 0 CDAEHM Cc1cc(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)[nH]n1 ZINC001627304479 1165989022 /nfs/dbraw/zinc/98/90/22/1165989022.db2.gz CIPGRKSLONCAIY-UHFFFAOYSA-N -1 3 297.322 1.470 10 0 CDAEHM CCOc1nnc(NC(=O)c2cccc(Cl)c2N)[n-]1 ZINC001632531515 1166356218 /nfs/dbraw/zinc/35/62/18/1166356218.db2.gz MUMOGXWYJNTARJ-UHFFFAOYSA-N -1 3 281.703 1.691 10 0 CDAEHM CCOc1nc(NC(=O)c2cccc(Cl)c2N)n[n-]1 ZINC001632531515 1166356227 /nfs/dbraw/zinc/35/62/27/1166356227.db2.gz MUMOGXWYJNTARJ-UHFFFAOYSA-N -1 3 281.703 1.691 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2cccc(Cl)c2N)n1 ZINC001632531515 1166356232 /nfs/dbraw/zinc/35/62/32/1166356232.db2.gz MUMOGXWYJNTARJ-UHFFFAOYSA-N -1 3 281.703 1.691 10 0 CDAEHM O=[N+]([O-])c1ccc(N2CCC(c3nnn[n-]3)CC2)cc1 ZINC000095146607 1166595824 /nfs/dbraw/zinc/59/58/24/1166595824.db2.gz CXMHEEKFLCUVNE-UHFFFAOYSA-N -1 3 274.284 1.492 10 0 CDAEHM O=[N+]([O-])c1ccc(N2CCC(c3nn[n-]n3)CC2)cc1 ZINC000095146607 1166595828 /nfs/dbraw/zinc/59/58/28/1166595828.db2.gz CXMHEEKFLCUVNE-UHFFFAOYSA-N -1 3 274.284 1.492 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)NCC1=CCCOC1 ZINC001636906289 1166708547 /nfs/dbraw/zinc/70/85/47/1166708547.db2.gz ZQTSSNMSOBDSEV-UHFFFAOYSA-N -1 3 265.284 1.537 10 0 CDAEHM Cc1cccc(CO[N-]C(=O)Cc2cncc(O)c2)n1 ZINC001641580699 1167121521 /nfs/dbraw/zinc/12/15/21/1167121521.db2.gz VVOJVXVQKFSYJQ-UHFFFAOYSA-N -1 3 273.292 1.281 10 0 CDAEHM Cc1cscc1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001644269125 1167303041 /nfs/dbraw/zinc/30/30/41/1167303041.db2.gz YVMCEMZGLILRCM-UHFFFAOYSA-N -1 3 281.362 1.771 10 0 CDAEHM O=C(c1cnc2c[nH]nc2c1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001644260649 1167303388 /nfs/dbraw/zinc/30/33/88/1167303388.db2.gz CEWRYIBZIWYNQW-QMMMGPOBSA-N -1 3 298.306 1.016 10 0 CDAEHM C=C/C(C)=C\CC(=O)N[C@H](C)CCNCc1n[nH]c(=O)[n-]1 ZINC001568665412 1169419763 /nfs/dbraw/zinc/41/97/63/1169419763.db2.gz CASCZQGKZSEPDA-GULOHRGCSA-N -1 3 293.371 1.017 10 0 CDAEHM O=C(Cc1nnc(C2CC2)[nH]1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001569459146 1169885151 /nfs/dbraw/zinc/88/51/51/1169885151.db2.gz RXQLZQOCHUEDDE-UHFFFAOYSA-N -1 3 298.306 1.445 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1ccc(C=O)cc1 ZINC001585162915 1172881191 /nfs/dbraw/zinc/88/11/91/1172881191.db2.gz AOJCXRSPQNDKIB-AFNCTOJWSA-N -1 3 299.330 1.141 10 0 CDAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)Oc1cccc(C2CC2)c1 ZINC001598206730 1174310037 /nfs/dbraw/zinc/31/00/37/1174310037.db2.gz RTRKHDWQRPTXEO-UHFFFAOYSA-N -1 3 287.275 1.567 10 0 CDAEHM CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc2c(c1)CNC2 ZINC000123789757 1175266711 /nfs/dbraw/zinc/26/67/11/1175266711.db2.gz GOWSDQKCVCITNM-LBPRGKRZSA-N -1 3 262.309 1.225 10 0 CDAEHM COC[C@H]1CCN(Cc2cccc(C(=O)[O-])n2)C1 ZINC000234715170 1178223679 /nfs/dbraw/zinc/22/36/79/1178223679.db2.gz GXORZNOYDYKEOG-JTQLQIEISA-N -1 3 250.298 1.248 10 0 CDAEHM O=C(CCC1CC1)NCCCNC(=O)c1ccccc1[O-] ZINC001720229160 1181155414 /nfs/dbraw/zinc/15/54/14/1181155414.db2.gz ZGBAKSGRUIRFOG-UHFFFAOYSA-N -1 3 290.363 1.819 10 0 CDAEHM CC(=O)NCCC1=CCN(C(=O)c2ccccc2[O-])CC1 ZINC001739276423 1184425776 /nfs/dbraw/zinc/42/57/76/1184425776.db2.gz VWRKKVAMPVHMIK-UHFFFAOYSA-N -1 3 288.347 1.691 10 0 CDAEHM O=C([O-])[C@@H](NCc1cccc2c1OCO2)[C@H]1CCCO1 ZINC001771829240 1184768000 /nfs/dbraw/zinc/76/80/00/1184768000.db2.gz AZXOGLHBBYMBDK-PWSUYJOCSA-N -1 3 279.292 1.137 10 0 CDAEHM CO[C@H](CNCc1cc(C)c(C(=O)[O-])o1)[C@H]1CCOC1 ZINC001771908173 1186945995 /nfs/dbraw/zinc/94/59/95/1186945995.db2.gz WFEMJFXTHGIQAI-CMPLNLGQSA-N -1 3 283.324 1.427 10 0 CDAEHM O=C(Nc1cccc([O-])c1F)C1=C[S@@](=O)CCC1 ZINC001636439051 1166675679 /nfs/dbraw/zinc/67/56/79/1166675679.db2.gz CRYMCSAAKGTLDI-SFHVURJKSA-N -1 3 269.297 1.896 10 0 CDAEHM Cc1nonc1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000849346061 844077769 /nfs/dbraw/zinc/07/77/69/844077769.db2.gz ORYSBQWSTRRXQK-MDZLAQPJSA-N -1 3 279.340 1.843 10 0 CDAEHM CCOc1nc(NC(=O)c2ccc(C)c(C)n2)n[n-]1 ZINC000318739918 844239576 /nfs/dbraw/zinc/23/95/76/844239576.db2.gz OGOXLYCKPYCERB-UHFFFAOYSA-N -1 3 261.285 1.468 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2ccc(C)c(C)n2)n1 ZINC000318739918 844239599 /nfs/dbraw/zinc/23/95/99/844239599.db2.gz OGOXLYCKPYCERB-UHFFFAOYSA-N -1 3 261.285 1.468 10 0 CDAEHM CCOc1nnc(NC(=O)c2ccc(C)c(C)n2)[n-]1 ZINC000318739918 844239543 /nfs/dbraw/zinc/23/95/43/844239543.db2.gz OGOXLYCKPYCERB-UHFFFAOYSA-N -1 3 261.285 1.468 10 0 CDAEHM COCCN(CCF)C(=O)c1ccc(N)cc1[O-] ZINC000852851605 844549070 /nfs/dbraw/zinc/54/90/70/844549070.db2.gz VFTWUCQBSYSNDH-UHFFFAOYSA-N -1 3 256.277 1.033 10 0 CDAEHM CCOCCO[N-]C(=O)CC(C)(C)COC(C)=O ZINC000775239358 843081800 /nfs/dbraw/zinc/08/18/00/843081800.db2.gz ZQMLZMLHEKIFCB-UHFFFAOYSA-N -1 3 261.318 1.050 10 0 CDAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C1CCC2(CC2)CC1 ZINC000867193140 843214728 /nfs/dbraw/zinc/21/47/28/843214728.db2.gz IITFORILYZZNPT-QGZVFWFLSA-N -1 3 294.442 1.661 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2cnn(C)c2)C(C)C)o1 ZINC000921849314 843389685 /nfs/dbraw/zinc/38/96/85/843389685.db2.gz MQBFSAJFHALJNK-CYBMUJFWSA-N -1 3 297.380 1.997 10 0 CDAEHM C[C@H]1[C@H](NC(=O)c2cc(F)c([O-])c(F)c2)CCN1C ZINC000928435503 843610204 /nfs/dbraw/zinc/61/02/04/843610204.db2.gz GSIMJGGMUJNNGR-WRWORJQWSA-N -1 3 270.279 1.493 10 0 CDAEHM Cc1cc(=O)[n-]c(CN(Cc2ccccc2)[C@H](C)CO)n1 ZINC000880375389 843732000 /nfs/dbraw/zinc/73/20/00/843732000.db2.gz VPLQJIYAZRHLSN-CYBMUJFWSA-N -1 3 287.363 1.874 10 0 CDAEHM CCn1ncnc1CNCCc1c(F)cc([O-])cc1F ZINC000922976256 843737156 /nfs/dbraw/zinc/73/71/56/843737156.db2.gz HSIRVIIZCDZECO-UHFFFAOYSA-N -1 3 282.294 1.614 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1C[C@]1(C)C(C)C ZINC000867386140 843756070 /nfs/dbraw/zinc/75/60/70/843756070.db2.gz QBLXBHKXDQPYPF-LYGAQUJYSA-N -1 3 282.431 1.373 10 0 CDAEHM CC(C)(O)CO[N-]C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000839745060 843759469 /nfs/dbraw/zinc/75/94/69/843759469.db2.gz KWSVFTJNXQFEMU-ZDUSSCGKSA-N -1 3 276.352 1.018 10 0 CDAEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1C[C@@H]1C ZINC000067901360 843862019 /nfs/dbraw/zinc/86/20/19/843862019.db2.gz GLPNVXOUWLFJTP-CABZTGNLSA-N -1 3 288.347 1.995 10 0 CDAEHM COc1ccc(C(=O)NN2CCC[C@H](OC)C2)c([O-])c1 ZINC000928416089 843874079 /nfs/dbraw/zinc/87/40/79/843874079.db2.gz WALRSKJEMAAQPE-NSHDSACASA-N -1 3 280.324 1.156 10 0 CDAEHM Cc1noc([C@H](C)N(C)Cc2nc(C)cc(=O)[n-]2)n1 ZINC000847058175 843894777 /nfs/dbraw/zinc/89/47/77/843894777.db2.gz PRDBDTRPEOZSLW-QMMMGPOBSA-N -1 3 263.301 1.375 10 0 CDAEHM CN(C)C[C@H](N)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000702202251 843902176 /nfs/dbraw/zinc/90/21/76/843902176.db2.gz YGXKQBJBVSXMNC-VIFPVBQESA-N -1 3 266.276 1.143 10 0 CDAEHM Cc1cc(C(=O)[N-]N2CCCNC2=O)c(Cl)cc1F ZINC000779443999 843916797 /nfs/dbraw/zinc/91/67/97/843916797.db2.gz OASXNUQWTLPEAB-UHFFFAOYSA-N -1 3 285.706 1.848 10 0 CDAEHM CCc1onc(C)c1C[N-]S(=O)(=O)c1cscn1 ZINC000922033049 843948579 /nfs/dbraw/zinc/94/85/79/843948579.db2.gz GAAZUOWPTZFTAG-UHFFFAOYSA-N -1 3 287.366 1.480 10 0 CDAEHM Cc1ccnc(NCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC000866289452 844705189 /nfs/dbraw/zinc/70/51/89/844705189.db2.gz DEURTWJJIAOMJC-UHFFFAOYSA-N -1 3 272.308 1.570 10 0 CDAEHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000866786622 844820649 /nfs/dbraw/zinc/82/06/49/844820649.db2.gz CCMBLLSIOUABAH-VIFPVBQESA-N -1 3 296.352 1.429 10 0 CDAEHM CCCCC(=O)COC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000869380634 844956320 /nfs/dbraw/zinc/95/63/20/844956320.db2.gz GWUOSEIOAATQCN-UHFFFAOYSA-N -1 3 293.319 1.425 10 0 CDAEHM C[C@H]1CCC[C@H](CNC(=O)c2cc3c(cc2[O-])OCO3)O1 ZINC000855799964 845015878 /nfs/dbraw/zinc/01/58/78/845015878.db2.gz ZIOUYXZHCKPPBJ-VHSXEESVSA-N -1 3 293.319 1.808 10 0 CDAEHM C[C@@H](CN(CC(N)=O)C(C)(C)C)C(=O)c1ccc([O-])cc1 ZINC000929858701 845199262 /nfs/dbraw/zinc/19/92/62/845199262.db2.gz LLMQASZQTSJCEF-NSHDSACASA-N -1 3 292.379 1.797 10 0 CDAEHM O=S(=O)([N-]CCC1CC=CC1)c1cscn1 ZINC000921622058 845305010 /nfs/dbraw/zinc/30/50/10/845305010.db2.gz FUBDAJGWTGJCSO-UHFFFAOYSA-N -1 3 258.368 1.778 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(C)cc1 ZINC000866388810 845330731 /nfs/dbraw/zinc/33/07/31/845330731.db2.gz NCHIJEPHSCBCPS-KRWDZBQOSA-N -1 3 290.410 1.447 10 0 CDAEHM Cc1cnc(C(=O)NCCn2ccnc2C(C)C)c([O-])c1 ZINC000778810202 845477518 /nfs/dbraw/zinc/47/75/18/845477518.db2.gz LWECTEVPWDPBDS-UHFFFAOYSA-N -1 3 288.351 1.846 10 0 CDAEHM COc1nnc(NC(=O)CC2CCC3(CC2)OCCO3)[n-]1 ZINC000788524408 845528767 /nfs/dbraw/zinc/52/87/67/845528767.db2.gz YGMMYONZGQPICV-UHFFFAOYSA-N -1 3 296.327 1.075 10 0 CDAEHM COc1nc(NC(=O)CC2CCC3(CC2)OCCO3)n[n-]1 ZINC000788524408 845528771 /nfs/dbraw/zinc/52/87/71/845528771.db2.gz YGMMYONZGQPICV-UHFFFAOYSA-N -1 3 296.327 1.075 10 0 CDAEHM COc1n[n-]c(NC(=O)CC2CCC3(CC2)OCCO3)n1 ZINC000788524408 845528773 /nfs/dbraw/zinc/52/87/73/845528773.db2.gz YGMMYONZGQPICV-UHFFFAOYSA-N -1 3 296.327 1.075 10 0 CDAEHM CC[C@@H](C)CO[N-]C(=O)[C@@H]1CCc2nnc(C3CC3)n2C1 ZINC000816977931 845606868 /nfs/dbraw/zinc/60/68/68/845606868.db2.gz JYJJYGXSBMRNQP-ZYHUDNBSSA-N -1 3 292.383 1.812 10 0 CDAEHM Cc1sccc1CC(=O)[N-]OC[C@H]1CCOC1 ZINC000788120321 845657251 /nfs/dbraw/zinc/65/72/51/845657251.db2.gz WVCCNMMSMPWSDX-JTQLQIEISA-N -1 3 255.339 1.683 10 0 CDAEHM COc1cccc(CNCCc2nc(C(=O)[O-])cs2)n1 ZINC000864521731 845720102 /nfs/dbraw/zinc/72/01/02/845720102.db2.gz CTKIFZJHUHNYPK-UHFFFAOYSA-N -1 3 293.348 1.577 10 0 CDAEHM CCc1ccc(C(=O)NCC[C@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000927738623 845875401 /nfs/dbraw/zinc/87/54/01/845875401.db2.gz JRUGHCBPXNIUAY-LBPRGKRZSA-N -1 3 290.363 1.553 10 0 CDAEHM CCO[C@@H](COC(=O)c1cccc2nn[n-]c21)C1CC1 ZINC000859647349 845890051 /nfs/dbraw/zinc/89/00/51/845890051.db2.gz XHNWNKYOONTQOP-LBPRGKRZSA-N -1 3 275.308 1.930 10 0 CDAEHM CCO[C@@H](COC(=O)c1cccc2[n-]nnc21)C1CC1 ZINC000859647349 845890053 /nfs/dbraw/zinc/89/00/53/845890053.db2.gz XHNWNKYOONTQOP-LBPRGKRZSA-N -1 3 275.308 1.930 10 0 CDAEHM CCO[C@@H](COC(=O)c1cccc2n[n-]nc21)C1CC1 ZINC000859647349 845890059 /nfs/dbraw/zinc/89/00/59/845890059.db2.gz XHNWNKYOONTQOP-LBPRGKRZSA-N -1 3 275.308 1.930 10 0 CDAEHM O=C(N[C@@H]1CC12CC2)c1nnc2ccccc2c1[O-] ZINC000819625208 845956401 /nfs/dbraw/zinc/95/64/01/845956401.db2.gz FOZIGJUCNIBXPE-SNVBAGLBSA-N -1 3 255.277 1.618 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CC[C@@]2(CO)CCC[C@@H]12 ZINC000924131043 845958543 /nfs/dbraw/zinc/95/85/43/845958543.db2.gz AUDNQTBQFAGSKV-UKRRQHHQSA-N -1 3 277.320 1.475 10 0 CDAEHM Cc1ccc([O-])c(CN2CC(O)(c3ccccc3)C2)n1 ZINC000811509807 846031958 /nfs/dbraw/zinc/03/19/58/846031958.db2.gz FPVXBMIVGVTDCG-UHFFFAOYSA-N -1 3 270.332 1.799 10 0 CDAEHM C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1cn[nH]c1 ZINC000436721247 846185963 /nfs/dbraw/zinc/18/59/63/846185963.db2.gz IEMPOQWYQMYKRV-SSDOTTSWSA-N -1 3 275.264 1.335 10 0 CDAEHM COC(=O)[C@H](CF)NC(=O)c1cc2sccc2c([O-])c1 ZINC000813693183 846266105 /nfs/dbraw/zinc/26/61/05/846266105.db2.gz MSZGXFFJPHUZPB-VIFPVBQESA-N -1 3 297.307 1.848 10 0 CDAEHM COC(=O)c1cc(C(=O)OCCOc2cccnc2)c[n-]1 ZINC000815949408 846449590 /nfs/dbraw/zinc/44/95/90/846449590.db2.gz LURWHNFNUTXRLD-UHFFFAOYSA-N -1 3 290.275 1.432 10 0 CDAEHM Cc1nc(C)c(CC(=O)N2C[C@@H](C)C(=O)[C@H](C)C2)c(=O)[n-]1 ZINC000855578594 846470815 /nfs/dbraw/zinc/47/08/15/846470815.db2.gz HWLLSZRURGGTCL-RKDXNWHRSA-N -1 3 291.351 1.025 10 0 CDAEHM CON1CCC(CC(=O)[N-]OCCC2CC2)CC1 ZINC000854639812 846472085 /nfs/dbraw/zinc/47/20/85/846472085.db2.gz GXHZJPSIPQNSHE-UHFFFAOYSA-N -1 3 256.346 1.498 10 0 CDAEHM CC[C@@H]1OCC[C@H]1C(=O)Nc1n[n-]c(SC)n1 ZINC000795854353 846531589 /nfs/dbraw/zinc/53/15/89/846531589.db2.gz DTZHYZXPPLJWJC-RQJHMYQMSA-N -1 3 256.331 1.280 10 0 CDAEHM C[C@@H]1[C@@H](C(=O)[N-]OC(C)(C)CO)[C@@H]1c1ccccc1 ZINC000836806470 846547383 /nfs/dbraw/zinc/54/73/83/846547383.db2.gz WFFKXVJMVXHEOV-WCFLWFBJSA-N -1 3 263.337 1.855 10 0 CDAEHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OC[C@@H]1CC1(F)F ZINC000816423093 846651560 /nfs/dbraw/zinc/65/15/60/846651560.db2.gz YWVQUAKVDDTMKR-JGVFFNPUSA-N -1 3 299.339 1.149 10 0 CDAEHM COC(=O)c1cnc(SCC[C@@H]2COC(C)(C)O2)[n-]1 ZINC000849890847 846723732 /nfs/dbraw/zinc/72/37/32/846723732.db2.gz BSLOZHJINCGLAP-MRVPVSSYSA-N -1 3 286.353 1.830 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCC1CCCC1 ZINC000866463310 846748252 /nfs/dbraw/zinc/74/82/52/846748252.db2.gz LMOAAIZRMXQZQB-INIZCTEOSA-N -1 3 282.431 1.519 10 0 CDAEHM Cc1nc(C)c(CC(=O)N2CC[C@H]2C(F)(F)F)c(=O)[n-]1 ZINC000854519657 846779696 /nfs/dbraw/zinc/77/96/96/846779696.db2.gz IQYNEKVPEWJZEW-VIFPVBQESA-N -1 3 289.257 1.505 10 0 CDAEHM CSc1nc(NC(=O)C=CCOC2CCOCC2)n[n-]1 ZINC000865062485 846829024 /nfs/dbraw/zinc/82/90/24/846829024.db2.gz ZZLDUXMPIMMFOL-IHWYPQMZSA-N -1 3 298.368 1.217 10 0 CDAEHM O=C(Cc1ccc2cnccc2c1)[N-]OC[C@@H]1CCOC1 ZINC000861247358 846836734 /nfs/dbraw/zinc/83/67/34/846836734.db2.gz GYABSSXWINTCDF-CYBMUJFWSA-N -1 3 286.331 1.862 10 0 CDAEHM CC1(C[N-]S(=O)(=O)CC2CCCC2)OCCCO1 ZINC000192224025 846886873 /nfs/dbraw/zinc/88/68/73/846886873.db2.gz RNXFGIWSITZMDZ-UHFFFAOYSA-N -1 3 277.386 1.249 10 0 CDAEHM C[C@@H]1C[C@H](NC(=O)c2cc3c(cc2[O-])OCO3)[C@@H](C)O1 ZINC000870478062 846892849 /nfs/dbraw/zinc/89/28/49/846892849.db2.gz IJGFZTDKVBQFNJ-MRTMQBJTSA-N -1 3 279.292 1.417 10 0 CDAEHM CS(C)(=O)=NS(=O)(=O)[N-]C[C@H]1CC2CCC1CC2 ZINC000867446602 847166759 /nfs/dbraw/zinc/16/67/59/847166759.db2.gz MAHJRGLDZCUOFA-VQXHTEKXSA-N -1 3 294.442 1.375 10 0 CDAEHM CCCN(CCC)S(=O)(=O)[N-]c1cc(CC)n(C)n1 ZINC000817354304 847184324 /nfs/dbraw/zinc/18/43/24/847184324.db2.gz IQRNUNWYBDUIJU-UHFFFAOYSA-N -1 3 288.417 1.761 10 0 CDAEHM COC[C@H](COC(=O)Cc1ccc([O-])c(F)c1)OC ZINC000849795498 847287550 /nfs/dbraw/zinc/28/75/50/847287550.db2.gz CNNAWUUMDLODQS-SNVBAGLBSA-N -1 3 272.272 1.278 10 0 CDAEHM C=CCNC(=O)N[N-]C(=O)c1ccccc1Br ZINC000042926393 847331376 /nfs/dbraw/zinc/33/13/76/847331376.db2.gz HCTFPFYFTIXNHR-UHFFFAOYSA-N -1 3 298.140 1.579 10 0 CDAEHM CN(C(=O)NC[C@H]1CCCN1C)C1(C(=O)[O-])CCCC1 ZINC000312887794 847332669 /nfs/dbraw/zinc/33/26/69/847332669.db2.gz HSLHHIOIBSLMQF-LLVKDONJSA-N -1 3 283.372 1.119 10 0 CDAEHM COc1cccc(S([O-])=CC(=O)OCC(=O)C2CC2)c1 ZINC000820246435 847510616 /nfs/dbraw/zinc/51/06/16/847510616.db2.gz JBPIVRXSOJIOPO-FQEVSTJZSA-N -1 3 296.344 1.325 10 0 CDAEHM COC(=O)c1cc(C(=O)OC/C=C\Br)c[n-]1 ZINC000816094571 847541188 /nfs/dbraw/zinc/54/11/88/847541188.db2.gz YCZCVGCUZMRSOF-IHWYPQMZSA-N -1 3 288.097 1.867 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCCC[C@H]1C ZINC000866387178 847623578 /nfs/dbraw/zinc/62/35/78/847623578.db2.gz PKUFGHAPORBHLN-LYGAQUJYSA-N -1 3 282.431 1.517 10 0 CDAEHM CO[C@H](CSCc1nc(C)cc(=O)[n-]1)[C@@H]1CCOC1 ZINC000853769738 847746705 /nfs/dbraw/zinc/74/67/05/847746705.db2.gz HGIJDFDBDBOEPX-GHMZBOCLSA-N -1 3 284.381 1.775 10 0 CDAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H](C)Cc1ccco1 ZINC000866478088 847801168 /nfs/dbraw/zinc/80/11/68/847801168.db2.gz VCBLEULCFUXYSV-VVVCHXIZSA-N -1 3 294.398 1.163 10 0 CDAEHM CC[C@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)C(N)=O ZINC000924080023 847827996 /nfs/dbraw/zinc/82/79/96/847827996.db2.gz DMSRKDMNAYLSID-QMMMGPOBSA-N -1 3 297.261 1.921 10 0 CDAEHM COC[C@H](COC(=O)c1n[n-]c2c1cccc2OC)OC ZINC000849776500 847871861 /nfs/dbraw/zinc/87/18/61/847871861.db2.gz BZZLGHMYQJKMGP-SECBINFHSA-N -1 3 294.307 1.390 10 0 CDAEHM COC[C@H](COC(=O)c1[n-]nc2c1cccc2OC)OC ZINC000849776500 847871871 /nfs/dbraw/zinc/87/18/71/847871871.db2.gz BZZLGHMYQJKMGP-SECBINFHSA-N -1 3 294.307 1.390 10 0 CDAEHM CCOc1nnc(NC(=O)CCc2ccc(OC)cc2)[n-]1 ZINC000228781807 847877952 /nfs/dbraw/zinc/87/79/52/847877952.db2.gz RVRXZDFCALUYRD-UHFFFAOYSA-N -1 3 290.323 1.783 10 0 CDAEHM CCOc1nc(NC(=O)CCc2ccc(OC)cc2)n[n-]1 ZINC000228781807 847877955 /nfs/dbraw/zinc/87/79/55/847877955.db2.gz RVRXZDFCALUYRD-UHFFFAOYSA-N -1 3 290.323 1.783 10 0 CDAEHM CCOc1n[n-]c(NC(=O)CCc2ccc(OC)cc2)n1 ZINC000228781807 847877956 /nfs/dbraw/zinc/87/79/56/847877956.db2.gz RVRXZDFCALUYRD-UHFFFAOYSA-N -1 3 290.323 1.783 10 0 CDAEHM O=C(NC12CCN(CC1)C2)c1c([O-])cccc1F ZINC000715555718 847903316 /nfs/dbraw/zinc/90/33/16/847903316.db2.gz MWFRTIXSEKUJAY-UHFFFAOYSA-N -1 3 250.273 1.109 10 0 CDAEHM CSc1ccc([O-])c(C(=O)NC2CC(CC(N)=O)C2)c1 ZINC000928052903 847912496 /nfs/dbraw/zinc/91/24/96/847912496.db2.gz OMYZXGDDRHNAFZ-UHFFFAOYSA-N -1 3 294.376 1.498 10 0 CDAEHM CC(C)(C)OCC[C@@H](NCc1cc2n(n1)CCC2)C(=O)[O-] ZINC001646226424 1167707161 /nfs/dbraw/zinc/70/71/61/1167707161.db2.gz KQILACIAEPBMIC-CYBMUJFWSA-N -1 3 295.383 1.577 10 0 CDAEHM O=C(NCCOc1ccc(Cl)cc1)c1cc(=O)[n-]cn1 ZINC001540399624 1167917531 /nfs/dbraw/zinc/91/75/31/1167917531.db2.gz PYUTWBDFYQWRHN-UHFFFAOYSA-N -1 3 293.710 1.644 10 0 CDAEHM CCOc1nnc(NC(=O)C=Cc2cncc(C)c2)[n-]1 ZINC001174744756 913330984 /nfs/dbraw/zinc/33/09/84/913330984.db2.gz JMJAZQBITPDABA-PLNGDYQASA-N -1 3 273.296 1.559 10 0 CDAEHM CCOc1nc(NC(=O)C=Cc2cncc(C)c2)n[n-]1 ZINC001174744756 913331000 /nfs/dbraw/zinc/33/10/00/913331000.db2.gz JMJAZQBITPDABA-PLNGDYQASA-N -1 3 273.296 1.559 10 0 CDAEHM CCOc1n[n-]c(NC(=O)C=Cc2cncc(C)c2)n1 ZINC001174744756 913331019 /nfs/dbraw/zinc/33/10/19/913331019.db2.gz JMJAZQBITPDABA-PLNGDYQASA-N -1 3 273.296 1.559 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N(C)CCn1cnnc1 ZINC000706618763 895615084 /nfs/dbraw/zinc/61/50/84/895615084.db2.gz GXUQCKJUUTWUQZ-UHFFFAOYSA-N -1 3 260.297 1.064 10 0 CDAEHM CCn1ncc(NC(=O)c2cc(F)cc3n[n-]nc32)c1C ZINC001176890863 914342059 /nfs/dbraw/zinc/34/20/59/914342059.db2.gz SCIHFRRVRKBMEJ-UHFFFAOYSA-N -1 3 288.286 1.874 10 0 CDAEHM Cc1cccc(CO[N-]C(=O)Cc2ccc(O)cc2)n1 ZINC001647931265 1169078941 /nfs/dbraw/zinc/07/89/41/1169078941.db2.gz XGRCCHRNUGVMIK-UHFFFAOYSA-N -1 3 272.304 1.886 10 0 CDAEHM CCC1(NCc2n[nH]c(=O)[n-]2)CCN(C(=O)C(C)C)CC1 ZINC001484807588 916176607 /nfs/dbraw/zinc/17/66/07/916176607.db2.gz XPNBKMDFIJZLMC-UHFFFAOYSA-N -1 3 295.387 1.027 10 0 CDAEHM Cc1[nH]c(=O)[nH]c(=S)c1C(=O)[N-]OC/C=C\Cl ZINC001141763587 936936892 /nfs/dbraw/zinc/93/68/92/936936892.db2.gz UJFWVENCKXYPKE-IHWYPQMZSA-N -1 3 275.717 1.193 10 0 CDAEHM Clc1ncccc1CN1CC[C@@H](c2nnn[n-]2)C1 ZINC001197294646 925117050 /nfs/dbraw/zinc/11/70/50/925117050.db2.gz BOXWWRQCIJOJCO-SECBINFHSA-N -1 3 264.720 1.238 10 0 CDAEHM Clc1ncccc1CN1CC[C@@H](c2nn[n-]n2)C1 ZINC001197294646 925117058 /nfs/dbraw/zinc/11/70/58/925117058.db2.gz BOXWWRQCIJOJCO-SECBINFHSA-N -1 3 264.720 1.238 10 0 CDAEHM O=S(=O)([N-]C/C=C/CO)c1cc(Cl)ccc1Cl ZINC000717552837 931490083 /nfs/dbraw/zinc/49/00/83/931490083.db2.gz FQKXOWOVDDWGQE-OWOJBTEDSA-N -1 3 296.175 1.820 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@]1(C)CCc2ccccc21 ZINC001411766711 932005974 /nfs/dbraw/zinc/00/59/74/932005974.db2.gz ORTDSWYAWVPUKF-SUMWQHHRSA-N -1 3 299.374 1.519 10 0 CDAEHM O=C(N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1ccccc1[O-] ZINC001119047038 937690436 /nfs/dbraw/zinc/69/04/36/937690436.db2.gz YGDDUQOLJUQJMN-CRWJRVTASA-N -1 3 259.305 1.545 10 0 CDAEHM O=C(Nc1ncccc1[O-])c1ccc2c(n1)CCCN2 ZINC001412824535 934380488 /nfs/dbraw/zinc/38/04/88/934380488.db2.gz BMDHXCIYDLGIKP-UHFFFAOYSA-N -1 3 270.292 1.793 10 0 CDAEHM COc1ccnc(N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)n1 ZINC001412922984 935094379 /nfs/dbraw/zinc/09/43/79/935094379.db2.gz QOXPFJOZTBYSFN-YFKPBYRVSA-N -1 3 288.233 1.795 10 0 CDAEHM Cc1c[nH]nc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001413355456 935997859 /nfs/dbraw/zinc/99/78/59/935997859.db2.gz LIDDYCXKMHGZJB-UHFFFAOYSA-N -1 3 287.323 1.411 10 0 CDAEHM COC1(CC[N-]S(=O)(=O)c2cccnc2F)CCC1 ZINC000401844967 940883001 /nfs/dbraw/zinc/88/30/01/940883001.db2.gz WKHZDKBOQLLEEO-UHFFFAOYSA-N -1 3 288.344 1.458 10 0 CDAEHM O=C(NCCc1cc(F)ccc1F)c1cnncc1[O-] ZINC001362047977 970817747 /nfs/dbraw/zinc/81/77/47/970817747.db2.gz MVINVHKWWGLLGQ-UHFFFAOYSA-N -1 3 279.246 1.433 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001362056175 970826207 /nfs/dbraw/zinc/82/62/07/970826207.db2.gz MNJMJARKALJOGR-SOUVJXGZSA-N -1 3 299.374 1.727 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CC[C@@H](c3cnccn3)C2)n1 ZINC001473834556 970864997 /nfs/dbraw/zinc/86/49/97/970864997.db2.gz UAGXNXXFHDBFCY-LLVKDONJSA-N -1 3 271.324 1.270 10 0 CDAEHM CSc1nc(NC(=O)Cc2c(C)cc(C)[nH]c2=O)n[n-]1 ZINC001362085122 970865514 /nfs/dbraw/zinc/86/55/14/970865514.db2.gz BOQOIQRYGRRKTR-UHFFFAOYSA-N -1 3 293.352 1.425 10 0 CDAEHM CNc1ccc(C(=O)Nc2nnc(OC)[n-]2)c(Cl)c1 ZINC001362154900 970952127 /nfs/dbraw/zinc/95/21/27/970952127.db2.gz JVOFECVRVNTYGJ-UHFFFAOYSA-N -1 3 281.703 1.761 10 0 CDAEHM CNc1ccc(C(=O)Nc2n[n-]c(OC)n2)c(Cl)c1 ZINC001362154900 970952142 /nfs/dbraw/zinc/95/21/42/970952142.db2.gz JVOFECVRVNTYGJ-UHFFFAOYSA-N -1 3 281.703 1.761 10 0 CDAEHM CNc1ccc(C(=O)Nc2nc(OC)n[n-]2)c(Cl)c1 ZINC001362154900 970952161 /nfs/dbraw/zinc/95/21/61/970952161.db2.gz JVOFECVRVNTYGJ-UHFFFAOYSA-N -1 3 281.703 1.761 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C[C@H]1CCC2(CCC2)O1 ZINC001362210655 971018642 /nfs/dbraw/zinc/01/86/42/971018642.db2.gz ZFRVMQYVGQXBKU-SECBINFHSA-N -1 3 293.323 1.627 10 0 CDAEHM O=C([O-])c1csc(CNC[C@@H]2CCSC2)n1 ZINC000378683766 943813184 /nfs/dbraw/zinc/81/31/84/943813184.db2.gz UZKSDVKWUDICGG-ZETCQYMHSA-N -1 3 258.368 1.684 10 0 CDAEHM O=C(NCCCNC(=O)c1ccccc1[O-])c1ccco1 ZINC001491561763 944043622 /nfs/dbraw/zinc/04/36/22/944043622.db2.gz GNOLACNLANDVAY-UHFFFAOYSA-N -1 3 288.303 1.535 10 0 CDAEHM C[C@H](O)CN1CCN(C(=O)c2cccc([O-])c2F)[C@@H](C)C1 ZINC001362994010 971798124 /nfs/dbraw/zinc/79/81/24/971798124.db2.gz DZCVYQHKQGPZFE-QWRGUYRKSA-N -1 3 296.342 1.058 10 0 CDAEHM C[C@H]1[C@@H](O)CCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC001363495290 953379429 /nfs/dbraw/zinc/37/94/29/953379429.db2.gz SOVTXQONZCBVTJ-CABZTGNLSA-N -1 3 287.319 1.321 10 0 CDAEHM O=C(NCc1cc(=O)c([O-])co1)c1c(F)cccc1F ZINC001363840463 953898612 /nfs/dbraw/zinc/89/86/12/953898612.db2.gz MWRHYDJDTNDAIY-UHFFFAOYSA-N -1 3 281.214 1.554 10 0 CDAEHM C[C@H](NC(=O)[C@H](O)C(C)(C)C)c1nc(C(F)(F)F)n[n-]1 ZINC001364313847 954454436 /nfs/dbraw/zinc/45/44/36/954454436.db2.gz VPLJIWTXZFVGAD-WDSKDSINSA-N -1 3 294.277 1.408 10 0 CDAEHM COc1nnc(NC(=O)c2nccc3occc32)[n-]1 ZINC001295099876 954610632 /nfs/dbraw/zinc/61/06/32/954610632.db2.gz DXHSLHRZYRZFSJ-UHFFFAOYSA-N -1 3 259.225 1.207 10 0 CDAEHM COc1nc(NC(=O)c2nccc3occc32)n[n-]1 ZINC001295099876 954610638 /nfs/dbraw/zinc/61/06/38/954610638.db2.gz DXHSLHRZYRZFSJ-UHFFFAOYSA-N -1 3 259.225 1.207 10 0 CDAEHM COc1n[n-]c(NC(=O)c2nccc3occc32)n1 ZINC001295099876 954610644 /nfs/dbraw/zinc/61/06/44/954610644.db2.gz DXHSLHRZYRZFSJ-UHFFFAOYSA-N -1 3 259.225 1.207 10 0 CDAEHM CC[C@](C)(CNCc1cn(C2CCC2)nn1)C(=O)[O-] ZINC001327068026 954687618 /nfs/dbraw/zinc/68/76/18/954687618.db2.gz YCAJNRKAUDHGAK-CYBMUJFWSA-N -1 3 266.345 1.594 10 0 CDAEHM COc1cncc(CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)c1 ZINC001364789260 955174951 /nfs/dbraw/zinc/17/49/51/955174951.db2.gz QNHUUCGYCORKIY-UHFFFAOYSA-N -1 3 298.346 1.979 10 0 CDAEHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001328383107 955280270 /nfs/dbraw/zinc/28/02/70/955280270.db2.gz DIDSJEWEYGSLQR-DVVUODLYSA-N -1 3 299.321 1.440 10 0 CDAEHM O=C([C@H](O)C1CCC1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001363379685 972126360 /nfs/dbraw/zinc/12/63/60/972126360.db2.gz FVONVQIIKACGKU-GFCCVEGCSA-N -1 3 289.335 1.063 10 0 CDAEHM Cc1ncoc1CN[C@@H](C)CNC(=O)c1ccccc1[O-] ZINC001366254181 956676355 /nfs/dbraw/zinc/67/63/55/956676355.db2.gz CQSNLBDJGSWPOK-JTQLQIEISA-N -1 3 289.335 1.597 10 0 CDAEHM CC(C)=CC[C@@H](NCc1cn(C2CCC2)nn1)C(=O)[O-] ZINC001331913325 957330497 /nfs/dbraw/zinc/33/04/97/957330497.db2.gz VEVLWOYPNKSAKT-CYBMUJFWSA-N -1 3 278.356 1.902 10 0 CDAEHM CCc1cnc(CCNCc2cc(C(=O)[O-])n[nH]2)s1 ZINC001332436448 957565467 /nfs/dbraw/zinc/56/54/67/957565467.db2.gz DRRPGQGXGNSBAL-UHFFFAOYSA-N -1 3 280.353 1.459 10 0 CDAEHM 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298.342 1.637 10 0 CDAEHM CCS(=O)(=O)C1(CNC(=O)c2ccc(C)cc2[O-])CC1 ZINC000620051800 342142044 /nfs/dbraw/zinc/14/20/44/342142044.db2.gz LWQJJFKFBNEYDC-UHFFFAOYSA-N -1 3 297.376 1.398 10 0 CDAEHM [O-]c1ccc([C@@H]2COCCN2)c(Br)c1 ZINC000096884690 185119913 /nfs/dbraw/zinc/11/99/13/185119913.db2.gz WRIUNNFPRFHBBC-JTQLQIEISA-N -1 3 258.115 1.816 10 0 CDAEHM Cc1cccc([O-])c1C(=O)NCCc1nnc2n1CCC2 ZINC000624419414 342168325 /nfs/dbraw/zinc/16/83/25/342168325.db2.gz CUTJKEIYVKUGPA-UHFFFAOYSA-N -1 3 286.335 1.211 10 0 CDAEHM CCN(C(=O)c1cc(=O)[n-]cn1)[C@H](C)c1cccnc1 ZINC000625658644 342193142 /nfs/dbraw/zinc/19/31/42/342193142.db2.gz KKDCDIBHAHWXSE-SNVBAGLBSA-N -1 3 272.308 1.801 10 0 CDAEHM CCCn1c(=O)[n-]nc1SCc1ncnn1CC(C)C ZINC000351814864 361966227 /nfs/dbraw/zinc/96/62/27/361966227.db2.gz YBLGTGZGAGDUSQ-UHFFFAOYSA-N -1 3 296.400 1.934 10 0 CDAEHM CCc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c1[O-] ZINC000593871335 342849105 /nfs/dbraw/zinc/84/91/05/342849105.db2.gz IDIMNWZPWLBALU-ADWYPQAOSA-N -1 3 279.361 1.300 10 0 CDAEHM C[N-]S(=O)(=O)c1occc1-c1ccc(C=O)cc1 ZINC000675053755 539069213 /nfs/dbraw/zinc/06/92/13/539069213.db2.gz KQVMBZCNZWZNBO-UHFFFAOYSA-N -1 3 265.290 1.667 10 0 CDAEHM C[C@H](CC(N)=O)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000354718540 539101143 /nfs/dbraw/zinc/10/11/43/539101143.db2.gz MCFLJEWMPRSOQI-SECBINFHSA-N -1 3 272.304 1.539 10 0 CDAEHM CN(C(=O)c1cc([O-])c2ccccc2c1)[C@H]1CCN(C)C1=O ZINC000280405179 539127808 /nfs/dbraw/zinc/12/78/08/539127808.db2.gz OJDOLEKPWALSQO-AWEZNQCLSA-N -1 3 298.342 1.848 10 0 CDAEHM CCc1cc(C(=O)N2CC[C@H](O)C2(C)C)ccc1[O-] ZINC000336416234 362024029 /nfs/dbraw/zinc/02/40/29/362024029.db2.gz MSXCHMYZBSKEIO-ZDUSSCGKSA-N -1 3 263.337 1.940 10 0 CDAEHM COc1cc(Br)cc([C@H](N)C(=O)[O-])c1 ZINC000238454312 362058378 /nfs/dbraw/zinc/05/83/78/362058378.db2.gz ASAHXYGMYOLRNC-QMMMGPOBSA-N -1 3 260.087 1.542 10 0 CDAEHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1cn[nH]c1 ZINC000339833392 362066366 /nfs/dbraw/zinc/06/63/66/362066366.db2.gz RLSYDEFOENEANX-QMMMGPOBSA-N -1 3 278.287 1.815 10 0 CDAEHM Cc1noc([C@@H]2CN([C@@H](CC(C)C)C(=O)[O-])CCN2C)n1 ZINC000629487946 362094453 /nfs/dbraw/zinc/09/44/53/362094453.db2.gz FCILCNLURJRAPC-RYUDHWBXSA-N -1 3 296.371 1.166 10 0 CDAEHM O=S(=O)([N-][C@H]1CC2CCC1CC2)c1c[nH]cn1 ZINC000310514457 362107417 /nfs/dbraw/zinc/10/74/17/362107417.db2.gz VAUZUUNUSOBHRR-RTBKNWGFSA-N -1 3 255.343 1.267 10 0 CDAEHM O=c1[nH]cc(S(=O)(=O)[N-]C[C@@H]2CCCC23CC3)s1 ZINC000632601409 362148363 /nfs/dbraw/zinc/14/83/63/362148363.db2.gz DZBDAVYZTUYXMC-QMMMGPOBSA-N -1 3 288.394 1.707 10 0 CDAEHM Cc1ccc([O-])c(C(=O)NCCO[C@@H]2CC2(F)F)c1 ZINC000618124806 342399679 /nfs/dbraw/zinc/39/96/79/342399679.db2.gz LJJXGRDUWPOKJX-LLVKDONJSA-N -1 3 271.263 1.855 10 0 CDAEHM CN1CCCC[C@@H]1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000600979501 342416707 /nfs/dbraw/zinc/41/67/07/342416707.db2.gz VDKCAYUTDWAOKF-CYBMUJFWSA-N -1 3 285.351 1.316 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](C)Oc2ccccc2)[n-]1 ZINC000126774508 187261537 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/nfs/dbraw/zinc/19/24/14/240192414.db2.gz YWDWATPDXBZYLY-UHFFFAOYSA-N -1 3 276.292 1.968 10 0 CDAEHM C[C@@H](CNc1nc(Br)cs1)c1nnn[n-]1 ZINC000307011389 364985534 /nfs/dbraw/zinc/98/55/34/364985534.db2.gz JSMYQWJZBFHRDU-BYPYZUCNSA-N -1 3 289.162 1.634 10 0 CDAEHM C[C@@H](CNc1nc(Br)cs1)c1nn[n-]n1 ZINC000307011389 364985535 /nfs/dbraw/zinc/98/55/35/364985535.db2.gz JSMYQWJZBFHRDU-BYPYZUCNSA-N -1 3 289.162 1.634 10 0 CDAEHM C[C@@H]1C[C@@H](C(=O)Nc2cc(-c3nccn3C)[n-]n2)CCO1 ZINC000272106071 365085987 /nfs/dbraw/zinc/08/59/87/365085987.db2.gz WVHNDPQXAANAEF-ZJUUUORDSA-N -1 3 289.339 1.564 10 0 CDAEHM C[C@@H]1C[C@@H](C(=O)Nc2cc(-c3nccn3C)n[n-]2)CCO1 ZINC000272106071 365085991 /nfs/dbraw/zinc/08/59/91/365085991.db2.gz WVHNDPQXAANAEF-ZJUUUORDSA-N -1 3 289.339 1.564 10 0 CDAEHM COc1ccc(C(=O)N2C[C@H](C)C[C@@H](O)C2)c([O-])c1 ZINC000401556921 366995421 /nfs/dbraw/zinc/99/54/21/366995421.db2.gz WGBGUQNUXZWQOK-NXEZZACHSA-N -1 3 265.309 1.244 10 0 CDAEHM Cn1ccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000357663139 367134211 /nfs/dbraw/zinc/13/42/11/367134211.db2.gz UGLULXCQVAXJPB-UHFFFAOYSA-N -1 3 281.315 1.797 10 0 CDAEHM Cc1noc([C@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)n1 ZINC000357614700 367099917 /nfs/dbraw/zinc/09/99/17/367099917.db2.gz JOTAAGATJHEOKO-QMMMGPOBSA-N -1 3 298.302 1.711 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-]C[C@@H](O)C(C)(C)C)s1 ZINC000270022559 367470580 /nfs/dbraw/zinc/47/05/80/367470580.db2.gz WXIFBKLKSSXMTL-MRVPVSSYSA-N -1 3 278.399 1.137 10 0 CDAEHM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000416321841 241951013 /nfs/dbraw/zinc/95/10/13/241951013.db2.gz LZDNSVQTMKBIQQ-KXUCPTDWSA-N -1 3 278.356 1.365 10 0 CDAEHM CC[C@](C)(OC)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000280767426 367523743 /nfs/dbraw/zinc/52/37/43/367523743.db2.gz RLKQMFRDLYEEFO-AWEZNQCLSA-N -1 3 289.339 1.298 10 0 CDAEHM CC[C@](C)(OC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000280767426 367523748 /nfs/dbraw/zinc/52/37/48/367523748.db2.gz RLKQMFRDLYEEFO-AWEZNQCLSA-N -1 3 289.339 1.298 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)Cn2cccn2)o1 ZINC000358425073 367674624 /nfs/dbraw/zinc/67/46/24/367674624.db2.gz IBSIPBIQFDDZFE-JTQLQIEISA-N -1 3 283.353 1.399 10 0 CDAEHM CCOC(=O)C[C@H](C)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358592933 367800814 /nfs/dbraw/zinc/80/08/14/367800814.db2.gz AGWTYKHFSHADJS-VIFPVBQESA-N -1 3 289.353 1.456 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)s1 ZINC000528553593 367894311 /nfs/dbraw/zinc/89/43/11/367894311.db2.gz OXWWXEANCMJXSP-LEQIOUOKSA-N -1 3 290.410 1.542 10 0 CDAEHM CCc1cc(=O)[n-]c(CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)n1 ZINC000528762463 367974765 /nfs/dbraw/zinc/97/47/65/367974765.db2.gz LPVPTQPURFAJOT-YCWTYVPXSA-N -1 3 265.357 1.646 10 0 CDAEHM Cc1ccc(-c2nnc(NC(=O)[C@H]3CCOC[C@H]3C)[n-]2)o1 ZINC000193268565 368057276 /nfs/dbraw/zinc/05/72/76/368057276.db2.gz SBRKWTQKFWCEOH-SCZZXKLOSA-N -1 3 290.323 1.984 10 0 CDAEHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3CCOC[C@H]3C)n2)o1 ZINC000193268565 368057280 /nfs/dbraw/zinc/05/72/80/368057280.db2.gz SBRKWTQKFWCEOH-SCZZXKLOSA-N -1 3 290.323 1.984 10 0 CDAEHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCOC[C@H]3C)n[n-]2)o1 ZINC000193268565 368057282 /nfs/dbraw/zinc/05/72/82/368057282.db2.gz SBRKWTQKFWCEOH-SCZZXKLOSA-N -1 3 290.323 1.984 10 0 CDAEHM CC1(C)SC[C@@H]1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000283453297 368292737 /nfs/dbraw/zinc/29/27/37/368292737.db2.gz UTDKKPBJYGDIDL-VIFPVBQESA-N -1 3 280.328 1.721 10 0 CDAEHM CC1(C)SC[C@@H]1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000283453297 368292739 /nfs/dbraw/zinc/29/27/39/368292739.db2.gz UTDKKPBJYGDIDL-VIFPVBQESA-N -1 3 280.328 1.721 10 0 CDAEHM CC1(C)SC[C@@H]1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000283453297 368292742 /nfs/dbraw/zinc/29/27/42/368292742.db2.gz UTDKKPBJYGDIDL-VIFPVBQESA-N -1 3 280.328 1.721 10 0 CDAEHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)Cc1cc(C)on1 ZINC000330504149 202898431 /nfs/dbraw/zinc/89/84/31/202898431.db2.gz DMVPVXLOKUQOCS-CABZTGNLSA-N -1 3 290.385 1.200 10 0 CDAEHM Cn1cc(CNCc2ncccc2[O-])c(C(F)F)n1 ZINC000361136344 368656751 /nfs/dbraw/zinc/65/67/51/368656751.db2.gz OBHQRXNXAOZOFO-UHFFFAOYSA-N -1 3 268.267 1.748 10 0 CDAEHM COc1cc(C(=O)N2C[C@H](C)[C@@H]2C)cc(OC)c1[O-] ZINC000294016923 370904618 /nfs/dbraw/zinc/90/46/18/370904618.db2.gz IYTBWBLRJVODFG-IUCAKERBSA-N -1 3 265.309 1.890 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCO[C@@]2(CCCOC2)C1 ZINC000286295270 368766929 /nfs/dbraw/zinc/76/69/29/368766929.db2.gz JMSKBFFFIGUPNG-HNNXBMFYSA-N -1 3 293.319 1.119 10 0 CDAEHM NCC(F)(F)CC(=O)Nc1cccc(Cl)c1[O-] ZINC000567284537 370943061 /nfs/dbraw/zinc/94/30/61/370943061.db2.gz VUMUYASMKYXEPQ-UHFFFAOYSA-N -1 3 264.659 1.968 10 0 CDAEHM Cn1nccc1C[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000631723071 369126120 /nfs/dbraw/zinc/12/61/20/369126120.db2.gz MSRXNNYSFOCMKH-UHFFFAOYSA-N -1 3 291.279 1.429 10 0 CDAEHM CC[C@@H](CS(=O)(=O)[N-]CC1(C(F)(F)F)CC1)OC ZINC000420712056 244337917 /nfs/dbraw/zinc/33/79/17/244337917.db2.gz QRUJEKYBFCRUBT-QMMMGPOBSA-N -1 3 289.319 1.673 10 0 CDAEHM Cc1ncccc1CNC1(c2nn[n-]n2)CCCC1 ZINC000546035197 369309076 /nfs/dbraw/zinc/30/90/76/369309076.db2.gz JYAUNJMGRGPLPR-UHFFFAOYSA-N -1 3 258.329 1.462 10 0 CDAEHM C[C@@H]1C[C@H](C(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@@H](C)O1 ZINC000630622110 369445004 /nfs/dbraw/zinc/44/50/04/369445004.db2.gz UHJGTUKZVIXVOT-LNLATYFQSA-N -1 3 287.323 1.619 10 0 CDAEHM C[C@@H]1C[C@H](C(=O)Nc2cccc(-c3nn[n-]n3)c2)[C@@H](C)O1 ZINC000630622110 369445007 /nfs/dbraw/zinc/44/50/07/369445007.db2.gz UHJGTUKZVIXVOT-LNLATYFQSA-N -1 3 287.323 1.619 10 0 CDAEHM COc1cc(=NC(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)[n-]n1C ZINC000547514755 369576507 /nfs/dbraw/zinc/57/65/07/369576507.db2.gz KZUFLIIOAFKHTL-YMTOWFKASA-N -1 3 296.371 1.176 10 0 CDAEHM Cn1cncc1CCNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000547805564 369650349 /nfs/dbraw/zinc/65/03/49/369650349.db2.gz UAECNNCTGGRMNR-UHFFFAOYSA-N -1 3 299.374 1.977 10 0 CDAEHM C[C@@H](CO)N(C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000135853748 369754134 /nfs/dbraw/zinc/75/41/34/369754134.db2.gz VMJPNTIANYURKC-VIFPVBQESA-N -1 3 263.293 1.311 10 0 CDAEHM COc1cc(=NC(=O)Cc2cc(C)ccc2OC)[n-]n1C ZINC000548142879 369767113 /nfs/dbraw/zinc/76/71/13/369767113.db2.gz DLPZKVIMJSFOOC-UHFFFAOYSA-N -1 3 289.335 1.349 10 0 CDAEHM COc1cc(=NC(=O)CCO[C@@H](C)CC(C)C)[n-]n1C ZINC000548189777 369781323 /nfs/dbraw/zinc/78/13/23/369781323.db2.gz NSBSLGPORGWQFJ-NSHDSACASA-N -1 3 283.372 1.630 10 0 CDAEHM CCc1nnc([N-]C(=O)c2c(OC)ccnc2OC)s1 ZINC000630798825 370021629 /nfs/dbraw/zinc/02/16/29/370021629.db2.gz AATBVUJUZLKLQO-UHFFFAOYSA-N -1 3 294.336 1.765 10 0 CDAEHM CSc1nnc(NC(=O)[C@H](C)c2ccncc2)[n-]1 ZINC000630861127 370098916 /nfs/dbraw/zinc/09/89/16/370098916.db2.gz RNJLVVGFYRWDAX-SSDOTTSWSA-N -1 3 263.326 1.664 10 0 CDAEHM CSc1n[n-]c(NC(=O)[C@H](C)c2ccncc2)n1 ZINC000630861127 370098919 /nfs/dbraw/zinc/09/89/19/370098919.db2.gz RNJLVVGFYRWDAX-SSDOTTSWSA-N -1 3 263.326 1.664 10 0 CDAEHM CSc1nc(NC(=O)[C@H](C)c2ccncc2)n[n-]1 ZINC000630861127 370098922 /nfs/dbraw/zinc/09/89/22/370098922.db2.gz RNJLVVGFYRWDAX-SSDOTTSWSA-N -1 3 263.326 1.664 10 0 CDAEHM COC[C@H]1CCN1C(=O)c1cccc(OC)c1[O-] ZINC000294206116 370994027 /nfs/dbraw/zinc/99/40/27/370994027.db2.gz DFRHXPMOTXPIBR-SECBINFHSA-N -1 3 251.282 1.262 10 0 CDAEHM O=C([O-])c1cccc2c1CCN(CC1(O)CCC1)C2 ZINC000572901754 371334844 /nfs/dbraw/zinc/33/48/44/371334844.db2.gz ZQEJBGAHGLVUPL-UHFFFAOYSA-N -1 3 261.321 1.658 10 0 CDAEHM CCCN(CC(=O)[O-])C(=O)[C@H](CN)c1ccc(F)cc1 ZINC000573211222 371464565 /nfs/dbraw/zinc/46/45/65/371464565.db2.gz IGKRMGHXVODPDN-GFCCVEGCSA-N -1 3 282.315 1.191 10 0 CDAEHM CCOC(=O)c1csc(=NCC2(CO)CCCC2)[n-]1 ZINC000336816313 371502418 /nfs/dbraw/zinc/50/24/18/371502418.db2.gz LMRRESVIJHGTIL-UHFFFAOYSA-N -1 3 284.381 1.706 10 0 CDAEHM CCOCCOCC(=O)Nc1cc(F)ccc1[O-] ZINC000174883402 371957651 /nfs/dbraw/zinc/95/76/51/371957651.db2.gz KLGNAARIAUQVNB-UHFFFAOYSA-N -1 3 257.261 1.523 10 0 CDAEHM O=S(=O)([N-]Cc1cscn1)c1cn2c(n1)CCCC2 ZINC000378601905 372020615 /nfs/dbraw/zinc/02/06/15/372020615.db2.gz VNTYMZGHAUAIRC-UHFFFAOYSA-N -1 3 298.393 1.154 10 0 CDAEHM CC(C)C[C@@H](CO)N(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000578521289 372491633 /nfs/dbraw/zinc/49/16/33/372491633.db2.gz QKGFULMPDLWGLL-NSHDSACASA-N -1 3 293.367 1.539 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2CCN(C3CC3)CC2)c1 ZINC000048995816 372899186 /nfs/dbraw/zinc/89/91/86/372899186.db2.gz AONOQISDBXUXLG-UHFFFAOYSA-N -1 3 260.337 1.621 10 0 CDAEHM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)NC1CCCCC1 ZINC000397034850 373106087 /nfs/dbraw/zinc/10/60/87/373106087.db2.gz CJNIIQBDFMRDOW-NEPJUHHUSA-N -1 3 282.384 1.620 10 0 CDAEHM COc1cccc(C(=O)NC[C@@H]2CCCC2=O)c1[O-] ZINC000189970027 373309286 /nfs/dbraw/zinc/30/92/86/373309286.db2.gz DDUFOVJWLGMVSY-VIFPVBQESA-N -1 3 263.293 1.500 10 0 CDAEHM CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@H]1CCOC1 ZINC000106885484 373787523 /nfs/dbraw/zinc/78/75/23/373787523.db2.gz VLBGSPHDVVXKGC-JTQLQIEISA-N -1 3 299.330 1.890 10 0 CDAEHM Cc1cc([N-]S(=O)(=O)N(C)C)nn1[C@@H](C)C1CC1 ZINC000342413929 374141628 /nfs/dbraw/zinc/14/16/28/374141628.db2.gz BYPINBALASOXNC-VIFPVBQESA-N -1 3 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287.319 1.894 10 0 CDAEHM COCc1nc(C)c(C(=O)NCc2ncccc2[O-])s1 ZINC000352501796 155230889 /nfs/dbraw/zinc/23/08/89/155230889.db2.gz PWBWGDMDJXVLHO-UHFFFAOYSA-N -1 3 293.348 1.629 10 0 CDAEHM Cc1cc(NC(=O)c2cccc([O-])c2)c(=O)n(C)c1 ZINC000334174574 149330533 /nfs/dbraw/zinc/33/05/33/149330533.db2.gz CBOUMYBHTHMCSM-UHFFFAOYSA-N -1 3 258.277 1.652 10 0 CDAEHM C[C@H]1COCC[C@@H]1C(=O)NCc1ncccc1[O-] ZINC000352506910 155236336 /nfs/dbraw/zinc/23/63/36/155236336.db2.gz IMCVJCNSXPDVNU-UWVGGRQHSA-N -1 3 250.298 1.076 10 0 CDAEHM C[C@H]1COCC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000352506911 155235584 /nfs/dbraw/zinc/23/55/84/155235584.db2.gz IMCVJCNSXPDVNU-VHSXEESVSA-N -1 3 250.298 1.076 10 0 CDAEHM CC(C)c1cc(C(=O)NCc2ncccc2[O-])on1 ZINC000352507364 155235810 /nfs/dbraw/zinc/23/58/10/155235810.db2.gz JVMZIIWTUWHKAY-UHFFFAOYSA-N -1 3 261.281 1.829 10 0 CDAEHM CC(=O)Nc1cccc(C(=O)NCc2ncccc2[O-])c1 ZINC000352506998 155236085 /nfs/dbraw/zinc/23/60/85/155236085.db2.gz JDDFMVLHZZMYRV-UHFFFAOYSA-N -1 3 285.303 1.676 10 0 CDAEHM O=C(CSCc1ccncc1)NCc1ncccc1[O-] ZINC000352510563 155237421 /nfs/dbraw/zinc/23/74/21/155237421.db2.gz UAKPVTUSJQRCQB-UHFFFAOYSA-N -1 3 289.360 1.732 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](c2ccccc2)n2cccn2)[n-]1 ZINC000352649034 155323945 /nfs/dbraw/zinc/32/39/45/155323945.db2.gz WHBUVTRBJMKESC-LLVKDONJSA-N -1 3 298.306 1.238 10 0 CDAEHM COc1nc(NC(=O)[C@@H](c2ccccc2)n2cccn2)n[n-]1 ZINC000352649034 155323946 /nfs/dbraw/zinc/32/39/46/155323946.db2.gz WHBUVTRBJMKESC-LLVKDONJSA-N -1 3 298.306 1.238 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](c2ccccc2)n2cccn2)n1 ZINC000352649034 155323949 /nfs/dbraw/zinc/32/39/49/155323949.db2.gz WHBUVTRBJMKESC-LLVKDONJSA-N -1 3 298.306 1.238 10 0 CDAEHM Cc1cc(CCNC(=O)c2cc(F)cc3nn[n-]c32)on1 ZINC000343100219 152030969 /nfs/dbraw/zinc/03/09/69/152030969.db2.gz ATTOFGSAVCTCNB-UHFFFAOYSA-N -1 3 289.270 1.366 10 0 CDAEHM Cc1cc(CCNC(=O)c2cc(F)cc3[n-]nnc32)on1 ZINC000343100219 152030972 /nfs/dbraw/zinc/03/09/72/152030972.db2.gz ATTOFGSAVCTCNB-UHFFFAOYSA-N -1 3 289.270 1.366 10 0 CDAEHM Cc1cc(CCNC(=O)c2cc(F)cc3n[n-]nc32)on1 ZINC000343100219 152030976 /nfs/dbraw/zinc/03/09/76/152030976.db2.gz ATTOFGSAVCTCNB-UHFFFAOYSA-N -1 3 289.270 1.366 10 0 CDAEHM COc1nc(NC(=O)[C@@H](O)[C@H](C)c2ccc(C)cc2)n[n-]1 ZINC000352675225 155352152 /nfs/dbraw/zinc/35/21/52/155352152.db2.gz AVBWHMBAFMRFFM-KOLCDFICSA-N -1 3 290.323 1.225 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](O)[C@H](C)c2ccc(C)cc2)[n-]1 ZINC000352675225 155352154 /nfs/dbraw/zinc/35/21/54/155352154.db2.gz AVBWHMBAFMRFFM-KOLCDFICSA-N -1 3 290.323 1.225 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](O)[C@H](C)c2ccc(C)cc2)n1 ZINC000352675225 155352157 /nfs/dbraw/zinc/35/21/57/155352157.db2.gz AVBWHMBAFMRFFM-KOLCDFICSA-N -1 3 290.323 1.225 10 0 CDAEHM COc1cc(C(=O)NCc2ccn(C)n2)cc(OC)c1[O-] ZINC000346329881 153142037 /nfs/dbraw/zinc/14/20/37/153142037.db2.gz RWKQXLRSLAKUDH-UHFFFAOYSA-N -1 3 291.307 1.073 10 0 CDAEHM O=C(NCc1ncccc1[O-])Nc1ccncc1F ZINC000346936968 153353692 /nfs/dbraw/zinc/35/36/92/153353692.db2.gz JSNJFMCYMHQBJR-UHFFFAOYSA-N -1 3 262.244 1.065 10 0 CDAEHM COc1cccc(C(=O)N[C@@H]2CCCn3ncnc32)c1[O-] ZINC000177546164 286444464 /nfs/dbraw/zinc/44/44/64/286444464.db2.gz HVLODHCCASKNSM-SNVBAGLBSA-N -1 3 288.307 1.257 10 0 CDAEHM CO[C@@H]1CCC[C@@H](C(=O)NCc2ncccc2[O-])C1 ZINC000352211325 155026000 /nfs/dbraw/zinc/02/60/00/155026000.db2.gz JWYNVHRTCGYGBA-GHMZBOCLSA-N -1 3 264.325 1.609 10 0 CDAEHM Cc1cc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)n(C)n1 ZINC000356019702 157319882 /nfs/dbraw/zinc/31/98/82/157319882.db2.gz INVPSLPIFFAMTR-UHFFFAOYSA-N -1 3 296.330 1.500 10 0 CDAEHM CCn1cnnc1[N-]C(=O)COc1ccc(O)cc1 ZINC000356184348 157387479 /nfs/dbraw/zinc/38/74/79/157387479.db2.gz JCMBPYIAOBLJIW-UHFFFAOYSA-N -1 3 262.269 1.021 10 0 CDAEHM CN1CCO[C@@H]2CN(C(=O)c3cc([O-])ccc3Cl)C[C@@H]21 ZINC000356950793 157613712 /nfs/dbraw/zinc/61/37/12/157613712.db2.gz ABQXAWRIODAIDR-QWHCGFSZSA-N -1 3 296.754 1.201 10 0 CDAEHM Cc1nc(C)c(CC(=O)N(C)[C@@H](CO)CC(C)C)c(=O)[n-]1 ZINC000358791524 158029159 /nfs/dbraw/zinc/02/91/59/158029159.db2.gz PEUHXERDBRGYGD-GFCCVEGCSA-N -1 3 295.383 1.207 10 0 CDAEHM CSCCC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000359825168 158390495 /nfs/dbraw/zinc/39/04/95/158390495.db2.gz VDOGHECIOCOXMP-UHFFFAOYSA-N -1 3 295.364 1.274 10 0 CDAEHM CCc1cc(C(=O)NCC[C@@H](O)C(F)(F)F)ccc1[O-] ZINC000362804067 159241824 /nfs/dbraw/zinc/24/18/24/159241824.db2.gz CDHMGZINSHAVBK-LLVKDONJSA-N -1 3 291.269 1.998 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)C[C@@]2(CCCOC2)O1 ZINC000373746591 160224899 /nfs/dbraw/zinc/22/48/99/160224899.db2.gz SQPGKRYWGKTIAW-MLGOLLRUSA-N -1 3 291.347 1.802 10 0 CDAEHM CC(C)[C@@H](NC(=O)C(=O)[N-]c1cnns1)C1CC1 ZINC000658808466 413446486 /nfs/dbraw/zinc/44/64/86/413446486.db2.gz GSENNCKAMQQDLF-SECBINFHSA-N -1 3 268.342 1.027 10 0 CDAEHM COc1cccc(C(=O)N2CC[C@H](C)[C@H](O)C2)c1[O-] ZINC000089429653 165024033 /nfs/dbraw/zinc/02/40/33/165024033.db2.gz SJLAGOAMDXXEHH-GXSJLCMTSA-N -1 3 265.309 1.244 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N[C@H](C1CC1)C1CCOCC1 ZINC000655407928 412185177 /nfs/dbraw/zinc/18/51/77/412185177.db2.gz XAKPNNGCZCCIKR-MRXNPFEDSA-N -1 3 290.363 1.651 10 0 CDAEHM COc1ccc([N-]S(=O)(=O)c2cccnc2NN)cc1 ZINC000035358291 172148483 /nfs/dbraw/zinc/14/84/83/172148483.db2.gz WTINBIUNIPBERF-UHFFFAOYSA-N -1 3 294.336 1.177 10 0 CDAEHM CCOc1ccc(C(C)=O)cc1CNCC(=O)[O-] ZINC000035384873 172167500 /nfs/dbraw/zinc/16/75/00/172167500.db2.gz DUMYKDJKEDHJEC-UHFFFAOYSA-N -1 3 251.282 1.462 10 0 CDAEHM CCc1noc([N-]Cc2c(C(F)(F)F)cnn2C)n1 ZINC000656775549 413644751 /nfs/dbraw/zinc/64/47/51/413644751.db2.gz WGJFBWNXCXAKMN-UHFFFAOYSA-N -1 3 275.234 1.996 10 0 CDAEHM O=S(=O)([N-][C@H](CO)C1CCC1)c1cncc(Cl)c1 ZINC000657057675 413883012 /nfs/dbraw/zinc/88/30/12/413883012.db2.gz VSECJIJXYYKLFB-LLVKDONJSA-N -1 3 290.772 1.174 10 0 CDAEHM C[C@H]1CCC[C@H](C)N1CCNC(=O)C1(C(=O)[O-])CC=CC1 ZINC000663107231 413942190 /nfs/dbraw/zinc/94/21/90/413942190.db2.gz GYZUCIIPINTNBD-STQMWFEESA-N -1 3 294.395 1.787 10 0 CDAEHM C[C@H](C(=O)NC[C@H](C(=O)[O-])C1CCC1)N1CCCCCC1 ZINC000663152199 414006796 /nfs/dbraw/zinc/00/67/96/414006796.db2.gz ISRJUDUINHXJJP-OCCSQVGLSA-N -1 3 296.411 1.868 10 0 CDAEHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccco2)O1 ZINC000657155186 413985842 /nfs/dbraw/zinc/98/58/42/413985842.db2.gz OIRKLEDWDOCUDL-ZJUUUORDSA-N -1 3 259.327 1.516 10 0 CDAEHM CCCn1c(=O)[n-]nc1SCCO[C@H]1CC1(F)F ZINC000657231679 414054493 /nfs/dbraw/zinc/05/44/93/414054493.db2.gz KKCXLVZFRJTAQD-ZETCQYMHSA-N -1 3 279.312 1.910 10 0 CDAEHM CCCCn1c(=O)[n-]nc1SC[C@@H](COC)OC ZINC000657234991 414056424 /nfs/dbraw/zinc/05/64/24/414056424.db2.gz XDWVVDBZSFIUAY-SECBINFHSA-N -1 3 275.374 1.537 10 0 CDAEHM CCOc1cc2c(cc1[C@H](NC)C(=O)[O-])O[C@@H](C)C2 ZINC000037180971 173013882 /nfs/dbraw/zinc/01/38/82/173013882.db2.gz WKJURSTZYYNZKN-SDBXPKJASA-N -1 3 265.309 1.754 10 0 CDAEHM CN1CC[C@H]2OCCN(C(=O)c3ccc([O-])cc3F)[C@H]2C1 ZINC000285695957 196369655 /nfs/dbraw/zinc/36/96/55/196369655.db2.gz IMNNJKJTLHQESD-UONOGXRCSA-N -1 3 294.326 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FJEURYNALIIZTR-JTQLQIEISA-N -1 3 282.365 1.585 10 0 CDAEHM O=C1NCCCC[C@@H]1NCc1ccc([O-])c(Cl)c1 ZINC000043478367 175055231 /nfs/dbraw/zinc/05/52/31/175055231.db2.gz HXJWSCNGPLDRRS-NSHDSACASA-N -1 3 268.744 1.804 10 0 CDAEHM C[C@@H](C(=O)N(CCC(=O)[O-])C1CC1)N1[C@H](C)CC[C@@H]1C ZINC000043559599 175065988 /nfs/dbraw/zinc/06/59/88/175065988.db2.gz SKXSCQZGLNPNSE-TUAOUCFPSA-N -1 3 282.384 1.713 10 0 CDAEHM S=c1[n-]nc(Cn2cncn2)n1-c1ccccc1 ZINC000044547813 175202190 /nfs/dbraw/zinc/20/21/90/175202190.db2.gz WNZZLCIYSBWDCE-UHFFFAOYSA-N -1 3 258.310 1.196 10 0 CDAEHM CN1CCCC[C@H]1Cn1ccnc1SCC(=O)[O-] ZINC000044563334 175206412 /nfs/dbraw/zinc/20/64/12/175206412.db2.gz HOOKZIUPVXMQMU-JTQLQIEISA-N -1 3 269.370 1.544 10 0 CDAEHM CCCC[C@@H](N)C(=O)N1CCc2sccc2[C@@H]1C(=O)[O-] ZINC000044592652 175213504 /nfs/dbraw/zinc/21/35/04/175213504.db2.gz ONFUFDDDRBIIIR-ZYHUDNBSSA-N -1 3 296.392 1.776 10 0 CDAEHM CCC[C@@H](N)C(=O)N1CCc2sccc2[C@@H]1C(=O)[O-] ZINC000044592622 175213688 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358461138 /nfs/dbraw/zinc/46/11/38/358461138.db2.gz WQJRFPCYTCWXOH-NEPJUHHUSA-N -1 3 277.368 1.508 10 0 CDAEHM COc1cc(CC(=O)NCc2ncccc2[O-])ccc1O ZINC000622570645 351215769 /nfs/dbraw/zinc/21/57/69/351215769.db2.gz LLBNJWQSUUZESC-UHFFFAOYSA-N -1 3 288.303 1.360 10 0 CDAEHM C[C@@H](Oc1ccccn1)C(=O)NCc1ncccc1[O-] ZINC000622570670 351216066 /nfs/dbraw/zinc/21/60/66/351216066.db2.gz MRSDSRBDRCOFKF-SNVBAGLBSA-N -1 3 273.292 1.266 10 0 CDAEHM CC[C@H]1CCCCCN1C(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000125369428 351434775 /nfs/dbraw/zinc/43/47/75/351434775.db2.gz WHPGNJCVCIIYOJ-WDEREUQCSA-N -1 3 281.356 1.156 10 0 CDAEHM CCc1cc(C(=O)N2CCC[C@H](C(=O)OC)C2)ccc1[O-] ZINC000291404358 198012227 /nfs/dbraw/zinc/01/22/27/198012227.db2.gz BNWXDTQOGXKNOW-ZDUSSCGKSA-N -1 3 291.347 1.980 10 0 CDAEHM O=C(COCC(F)F)Nc1nnc(C(F)(F)F)[n-]1 ZINC000624527165 351593595 /nfs/dbraw/zinc/59/35/95/351593595.db2.gz JNBNOICNBRYULW-UHFFFAOYSA-N -1 3 274.149 1.044 10 0 CDAEHM O=C(COCC(F)F)Nc1nc(C(F)(F)F)n[n-]1 ZINC000624527165 351593597 /nfs/dbraw/zinc/59/35/97/351593597.db2.gz JNBNOICNBRYULW-UHFFFAOYSA-N -1 3 274.149 1.044 10 0 CDAEHM CC[C@@H](O)CN1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000175223594 366054946 /nfs/dbraw/zinc/05/49/46/366054946.db2.gz AZVLDWHBMDXQGK-GFCCVEGCSA-N -1 3 296.342 1.060 10 0 CDAEHM Cn1cc(NC([O-])=NOCC(C)(C)O)c(C2CC2)n1 ZINC000292154247 198184239 /nfs/dbraw/zinc/18/42/39/198184239.db2.gz XFOPSTMTVAFAJS-UHFFFAOYSA-N -1 3 268.317 1.122 10 0 CDAEHM Cn1cc(NC(=O)[N-]OCC(C)(C)O)c(C2CC2)n1 ZINC000292154247 198184240 /nfs/dbraw/zinc/18/42/40/198184240.db2.gz XFOPSTMTVAFAJS-UHFFFAOYSA-N -1 3 268.317 1.122 10 0 CDAEHM CCc1cc(C(=O)N(C)CC2(CO)CC2)ccc1[O-] ZINC000292670439 198369961 /nfs/dbraw/zinc/36/99/61/198369961.db2.gz BAMLKDUSJHGYCQ-UHFFFAOYSA-N -1 3 263.337 1.799 10 0 CDAEHM C[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000158832035 188396007 /nfs/dbraw/zinc/39/60/07/188396007.db2.gz MKYHAKAKGWAVEC-JGVFFNPUSA-N -1 3 278.761 1.030 10 0 CDAEHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC2(CC2)CC1 ZINC000629646188 363244836 /nfs/dbraw/zinc/24/48/36/363244836.db2.gz PWLLPFHJFWSFGC-UHFFFAOYSA-N -1 3 298.342 1.977 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-][C@H]2CCOC[C@@H]2C)c1 ZINC000336266643 363250709 /nfs/dbraw/zinc/25/07/09/363250709.db2.gz NWGWWWYLOMHSHX-UWVGGRQHSA-N -1 3 275.395 1.760 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-][C@@H]2CCOC2(C)C)nc1C ZINC000451690639 363336150 /nfs/dbraw/zinc/33/61/50/363336150.db2.gz ABDUNTQWWWAWDC-SNVBAGLBSA-N -1 3 287.385 1.057 10 0 CDAEHM Cc1noc([N-]C(=O)[C@H]2CC(c3cccnc3)=NO2)c1C ZINC000276854020 366185239 /nfs/dbraw/zinc/18/52/39/366185239.db2.gz UXPBYTQPBUXIJD-GFCCVEGCSA-N -1 3 286.291 1.818 10 0 CDAEHM CCc1cc(C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)ccc1[O-] ZINC000629769748 363426577 /nfs/dbraw/zinc/42/65/77/363426577.db2.gz RLKRWOYUYLWSHV-NILFDRSVSA-N -1 3 275.348 1.940 10 0 CDAEHM COC[C@H](CC(C)(C)C)NC(=O)c1cc(=O)[n-]cn1 ZINC000628020914 356367541 /nfs/dbraw/zinc/36/75/41/356367541.db2.gz OFDBUCFBKMINAQ-VIFPVBQESA-N -1 3 267.329 1.363 10 0 CDAEHM CC[C@@H](NC(=O)c1cc(=O)[n-]cn1)[C@H]1CCCCO1 ZINC000628025174 356383941 /nfs/dbraw/zinc/38/39/41/356383941.db2.gz OXPSMKSWBLIGRB-MWLCHTKSSA-N -1 3 265.313 1.260 10 0 CDAEHM O=S(=O)(NCC[C@H]1CCOC1)c1ccc([O-])cc1 ZINC000236597414 140241523 /nfs/dbraw/zinc/24/15/23/140241523.db2.gz PSRKURVBBXWTCH-JTQLQIEISA-N -1 3 271.338 1.097 10 0 CDAEHM COc1nnc(NC(=O)Cc2cccc(C)c2Cl)[n-]1 ZINC000277075406 366290398 /nfs/dbraw/zinc/29/03/98/366290398.db2.gz NWNLSJCOTYDWPE-UHFFFAOYSA-N -1 3 280.715 1.956 10 0 CDAEHM COc1nc(NC(=O)Cc2cccc(C)c2Cl)n[n-]1 ZINC000277075406 366290400 /nfs/dbraw/zinc/29/04/00/366290400.db2.gz NWNLSJCOTYDWPE-UHFFFAOYSA-N -1 3 280.715 1.956 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2cccc(C)c2Cl)n1 ZINC000277075406 366290402 /nfs/dbraw/zinc/29/04/02/366290402.db2.gz NWNLSJCOTYDWPE-UHFFFAOYSA-N -1 3 280.715 1.956 10 0 CDAEHM COc1cc(Br)c2c(c1)CN[C@H](C(=O)[O-])C2 ZINC000725255753 538451782 /nfs/dbraw/zinc/45/17/82/538451782.db2.gz LRDHPCRSEJOOGI-JTQLQIEISA-N -1 3 286.125 1.557 10 0 CDAEHM CC(C)(C)OC(=O)c1nn[n-]c1C1CCOCC1 ZINC000725266530 538456841 /nfs/dbraw/zinc/45/68/41/538456841.db2.gz JLSCYSRTRASSIK-UHFFFAOYSA-N -1 3 253.302 1.654 10 0 CDAEHM CC(C)(C)OC(=O)c1[n-]nnc1C1CCOCC1 ZINC000725266530 538456844 /nfs/dbraw/zinc/45/68/44/538456844.db2.gz JLSCYSRTRASSIK-UHFFFAOYSA-N -1 3 253.302 1.654 10 0 CDAEHM CC(C)(C)OC(=O)c1n[n-]nc1C1CCOCC1 ZINC000725266530 538456848 /nfs/dbraw/zinc/45/68/48/538456848.db2.gz JLSCYSRTRASSIK-UHFFFAOYSA-N -1 3 253.302 1.654 10 0 CDAEHM COc1cc(=NC(=O)[C@H]2CCC(C)=C(C)C2)[n-]n1C ZINC000569488205 358509667 /nfs/dbraw/zinc/50/96/67/358509667.db2.gz IRFWTOKFUVTYAX-NSHDSACASA-N -1 3 263.341 1.926 10 0 CDAEHM CCOC(=O)c1ccc2[n-]c(NC(=O)OC)nc2c1 ZINC000027627884 358508737 /nfs/dbraw/zinc/50/87/37/358508737.db2.gz FNOFBQHRXUXLOV-UHFFFAOYSA-N -1 3 263.253 1.918 10 0 CDAEHM C[C@H](CCO)CN=c1cc(-c2ccccc2)n2[n-]cnc2n1 ZINC000631137304 356742543 /nfs/dbraw/zinc/74/25/43/356742543.db2.gz YYTIPHZJXITUDK-GFCCVEGCSA-N -1 3 297.362 1.644 10 0 CDAEHM O=S(=O)([N-][C@H]1CCCC[C@H]1O)c1ccccc1F ZINC000052004447 357265922 /nfs/dbraw/zinc/26/59/22/357265922.db2.gz HUGASFLLTWIMTQ-WDEREUQCSA-N -1 3 273.329 1.408 10 0 CDAEHM COc1ccc([O-])c(C(=O)NCCn2cc(C)cn2)c1 ZINC000117987382 357577227 /nfs/dbraw/zinc/57/72/27/357577227.db2.gz DXQQXTGHGRCLBI-UHFFFAOYSA-N -1 3 275.308 1.336 10 0 CDAEHM C[C@@H]1CCSCCN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000407993221 357731674 /nfs/dbraw/zinc/73/16/74/357731674.db2.gz XDXCGJGRCLPQIQ-SECBINFHSA-N -1 3 296.396 1.216 10 0 CDAEHM CC(C)CCC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000559248001 358235342 /nfs/dbraw/zinc/23/53/42/358235342.db2.gz AFIARRZQNHXDCQ-JTQLQIEISA-N -1 3 265.361 1.327 10 0 CDAEHM COc1nnc(NC(=O)c2c(F)cccc2OC)[n-]1 ZINC000129464272 358288343 /nfs/dbraw/zinc/28/83/43/358288343.db2.gz JJUUSBGJUBQHIW-UHFFFAOYSA-N -1 3 266.232 1.213 10 0 CDAEHM COc1nc(NC(=O)c2c(F)cccc2OC)n[n-]1 ZINC000129464272 358288346 /nfs/dbraw/zinc/28/83/46/358288346.db2.gz JJUUSBGJUBQHIW-UHFFFAOYSA-N -1 3 266.232 1.213 10 0 CDAEHM COc1n[n-]c(NC(=O)c2c(F)cccc2OC)n1 ZINC000129464272 358288350 /nfs/dbraw/zinc/28/83/50/358288350.db2.gz JJUUSBGJUBQHIW-UHFFFAOYSA-N -1 3 266.232 1.213 10 0 CDAEHM COc1ccc(C(=O)N[C@@H]2C[C@@H](C)O[C@H]2C)c([O-])c1 ZINC000384912392 358337410 /nfs/dbraw/zinc/33/74/10/358337410.db2.gz OSADJQCPPFYQSU-VDDIYKPWSA-N -1 3 265.309 1.697 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000356586478 366420616 /nfs/dbraw/zinc/42/06/16/366420616.db2.gz CZXKHWSBPYWZLC-BIMULSAOSA-N -1 3 265.284 1.573 10 0 CDAEHM CCc1nnc([C@@H](C)S(=O)(=O)c2nc3c([n-]2)CCC3)o1 ZINC000569545112 358577712 /nfs/dbraw/zinc/57/77/12/358577712.db2.gz MZDHUCLOQPDNAM-SSDOTTSWSA-N -1 3 296.352 1.379 10 0 CDAEHM CCc1cccc(C(=O)N[C@H](C)[C@@H](C)CO)c1[O-] ZINC000305422852 358680337 /nfs/dbraw/zinc/68/03/37/358680337.db2.gz AEAPWNUQAFGOKH-VHSXEESVSA-N -1 3 251.326 1.701 10 0 CDAEHM O=C(c1cc(=O)c2ccccc2[n-]1)N(CCO)C1CCC1 ZINC000222105289 358763650 /nfs/dbraw/zinc/76/36/50/358763650.db2.gz OBLBRSVEIHGUIV-UHFFFAOYSA-N -1 3 286.331 1.515 10 0 CDAEHM CN(CCCC(=O)[O-])CC(=O)NCCc1ccc(F)cc1 ZINC000042717964 358974881 /nfs/dbraw/zinc/97/48/81/358974881.db2.gz PUUJHJKNASNWBB-UHFFFAOYSA-N -1 3 296.342 1.281 10 0 CDAEHM COc1ccc(C(=O)N2CCC23CCOCC3)c([O-])c1 ZINC000365346530 359356117 /nfs/dbraw/zinc/35/61/17/359356117.db2.gz WKMMJKHLQYSXNT-UHFFFAOYSA-N -1 3 277.320 1.796 10 0 CDAEHM COC(=O)Cn1ncc(NCc2nc(C)ccc2[O-])c1C ZINC000355423855 359481225 /nfs/dbraw/zinc/48/12/25/359481225.db2.gz MNPOTTUPPFEAPK-UHFFFAOYSA-N -1 3 290.323 1.386 10 0 CDAEHM CC[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)OC ZINC000279366434 359586259 /nfs/dbraw/zinc/58/62/59/359586259.db2.gz GPAQTAVFTHXFGB-SNVBAGLBSA-N -1 3 271.700 1.727 10 0 CDAEHM O=C1c2ccccc2C(=O)N1CCNCc1ncccc1[O-] ZINC000347832904 359643987 /nfs/dbraw/zinc/64/39/87/359643987.db2.gz ULDUMFRFHQZDCO-UHFFFAOYSA-N -1 3 297.314 1.173 10 0 CDAEHM Cc1cnc(C(=O)N2C[C@H](C)N(C)C[C@H]2C)c([O-])c1 ZINC000408377081 359702960 /nfs/dbraw/zinc/70/29/60/359702960.db2.gz ZATMELARVFQMLY-WDEREUQCSA-N -1 3 263.341 1.260 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)C2CCCC2)n[n-]1 ZINC000119593858 359928623 /nfs/dbraw/zinc/92/86/23/359928623.db2.gz LXQVFCJBOPTVJF-UHFFFAOYSA-N -1 3 259.313 1.939 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)C2CCCC2)[n-]n1 ZINC000119593858 359928628 /nfs/dbraw/zinc/92/86/28/359928628.db2.gz LXQVFCJBOPTVJF-UHFFFAOYSA-N -1 3 259.313 1.939 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)C[C@H]2CCCCO2)n[n-]1 ZINC000119521116 359917849 /nfs/dbraw/zinc/91/78/49/359917849.db2.gz RSVUCLYRFRKFAK-SNVBAGLBSA-N -1 3 289.339 1.708 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)C[C@H]2CCCCO2)[n-]n1 ZINC000119521116 359917854 /nfs/dbraw/zinc/91/78/54/359917854.db2.gz RSVUCLYRFRKFAK-SNVBAGLBSA-N -1 3 289.339 1.708 10 0 CDAEHM CO[C@H](CS(=O)(=O)[N-]CC1(O)CCCCC1)C1CC1 ZINC000515379184 360484748 /nfs/dbraw/zinc/48/47/48/360484748.db2.gz MLDBPGJCWOXCAU-GFCCVEGCSA-N -1 3 291.413 1.026 10 0 CDAEHM COc1cccc(C(=O)N2CCC[C@H]3COC[C@H]32)c1[O-] ZINC000367058890 360565710 /nfs/dbraw/zinc/56/57/10/360565710.db2.gz YYGXCZDSXINJIU-CMPLNLGQSA-N -1 3 277.320 1.652 10 0 CDAEHM COc1ccc(F)cc1S(=O)(=O)[N-]CC[C@H](C)F ZINC000645733642 360671701 /nfs/dbraw/zinc/67/17/01/360671701.db2.gz LZTRIWIHKAQVAV-QMMMGPOBSA-N -1 3 279.308 1.861 10 0 CDAEHM CCc1ccc(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)c([O-])c1 ZINC000408409889 360843455 /nfs/dbraw/zinc/84/34/55/360843455.db2.gz FWSZMCZLHHFUJZ-ZFWWWQNUSA-N -1 3 290.363 1.110 10 0 CDAEHM CCCc1noc(CCCC(=O)Nc2nnc(OC)[n-]2)n1 ZINC000179362286 189189149 /nfs/dbraw/zinc/18/91/49/189189149.db2.gz LPHKUHLCIPEFIB-UHFFFAOYSA-N -1 3 294.315 1.110 10 0 CDAEHM CCCc1noc(CCCC(=O)Nc2n[n-]c(OC)n2)n1 ZINC000179362286 189189150 /nfs/dbraw/zinc/18/91/50/189189150.db2.gz LPHKUHLCIPEFIB-UHFFFAOYSA-N -1 3 294.315 1.110 10 0 CDAEHM CCCc1noc(CCCC(=O)Nc2nc(OC)n[n-]2)n1 ZINC000179362286 189189151 /nfs/dbraw/zinc/18/91/51/189189151.db2.gz LPHKUHLCIPEFIB-UHFFFAOYSA-N -1 3 294.315 1.110 10 0 CDAEHM C[C@H](NC(=O)c1csc(=O)[n-]1)C(=O)Cc1ccccc1 ZINC000350641204 361120706 /nfs/dbraw/zinc/12/07/06/361120706.db2.gz DDDJCVIIYCINQG-VIFPVBQESA-N -1 3 290.344 1.779 10 0 CDAEHM NC(=O)c1csc(=NC[C@H](CO)CC2CCCC2)[n-]1 ZINC000432176602 361120863 /nfs/dbraw/zinc/12/08/63/361120863.db2.gz ZUQOBULNVVCZDQ-SNVBAGLBSA-N -1 3 283.397 1.265 10 0 CDAEHM COc1ccncc1CNC(=O)NCc1ncccc1[O-] ZINC000432248020 361129079 /nfs/dbraw/zinc/12/90/79/361129079.db2.gz VBLRMXNRPXFWRG-UHFFFAOYSA-N -1 3 288.307 1.190 10 0 CDAEHM CCN(CC1CCC1)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000338919618 361130180 /nfs/dbraw/zinc/13/01/80/361130180.db2.gz WPTRFQSOJZOCJC-UHFFFAOYSA-N -1 3 278.356 1.510 10 0 CDAEHM NC(=O)c1csc(=NCCc2cc(F)ccc2F)[n-]1 ZINC000432315836 361141111 /nfs/dbraw/zinc/14/11/11/361141111.db2.gz WYVWXOFSULWZFY-UHFFFAOYSA-N -1 3 283.303 1.597 10 0 CDAEHM CSCCCC[N-]S(=O)(=O)c1cnc(C)s1 ZINC000339043487 361232933 /nfs/dbraw/zinc/23/29/33/361232933.db2.gz OOKORFAAXZKRCC-UHFFFAOYSA-N -1 3 280.440 1.873 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-]CC2(CCO)CCC2)s1 ZINC000339044384 361233747 /nfs/dbraw/zinc/23/37/47/361233747.db2.gz LYUZVMZEVHKTJI-UHFFFAOYSA-N -1 3 290.410 1.283 10 0 CDAEHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c[nH]c(=O)s2)[C@@H]1C ZINC000631646233 361252016 /nfs/dbraw/zinc/25/20/16/361252016.db2.gz ZSEOXBNOJOFOKL-IWSPIJDZSA-N -1 3 290.410 1.952 10 0 CDAEHM COCc1n[n-]c(=NC[C@@H](CC(C)C)N(C)C)s1 ZINC000357024748 366702843 /nfs/dbraw/zinc/70/28/43/366702843.db2.gz FYKXSWILEFDGCI-SNVBAGLBSA-N -1 3 272.418 1.495 10 0 CDAEHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cnn(C)c1 ZINC000357093002 366757388 /nfs/dbraw/zinc/75/73/88/366757388.db2.gz VMGHEPUQMRPHBJ-SNVBAGLBSA-N -1 3 296.330 1.753 10 0 CDAEHM COc1cc(=NC(=O)N2C[C@H](C)CC[C@@H]2C)[n-]n1C ZINC000547515973 361441537 /nfs/dbraw/zinc/44/15/37/361441537.db2.gz LKDGCSXYHYJCLF-ZJUUUORDSA-N -1 3 266.345 1.503 10 0 CDAEHM Cc1ccc(C(=O)NC2(CC(N)=O)CCC2)c([O-])c1 ZINC000436583038 361536865 /nfs/dbraw/zinc/53/68/65/361536865.db2.gz GFICCQONFYNKHP-UHFFFAOYSA-N -1 3 262.309 1.229 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000629124709 361592514 /nfs/dbraw/zinc/59/25/14/361592514.db2.gz OBVIGXVQPYTFCP-DGCLKSJQSA-N -1 3 262.309 1.013 10 0 CDAEHM COCC1(O)CCN(Cc2nc(C)ccc2[O-])CC1 ZINC000271180082 239020949 /nfs/dbraw/zinc/02/09/49/239020949.db2.gz KYYMGZLGCNNZJR-UHFFFAOYSA-N -1 3 266.341 1.069 10 0 CDAEHM COc1cccc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c1[O-] ZINC000042439102 363925881 /nfs/dbraw/zinc/92/58/81/363925881.db2.gz MALDQQOXNQVUTN-NXEZZACHSA-N -1 3 292.335 1.127 10 0 CDAEHM Cc1cccc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C)c1[O-] ZINC000282240747 364001810 /nfs/dbraw/zinc/00/18/10/364001810.db2.gz VPEYMDMBBJCKMC-MWLCHTKSSA-N -1 3 262.309 1.098 10 0 CDAEHM COC[C@]1(C)CN(C(=O)c2ccc([O-])c(OC)c2)CCO1 ZINC000629898168 364114785 /nfs/dbraw/zinc/11/47/85/364114785.db2.gz BBMCVKYQIBGSEG-HNNXBMFYSA-N -1 3 295.335 1.278 10 0 CDAEHM O=C(NC1(C(F)F)CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000566458942 370736770 /nfs/dbraw/zinc/73/67/70/370736770.db2.gz YRSCHCSGYIWSAM-UHFFFAOYSA-N -1 3 269.251 1.587 10 0 CDAEHM CC[C@H](C)OCC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352994586 364701316 /nfs/dbraw/zinc/70/13/16/364701316.db2.gz YYIIZFBNNOCXFT-ONGXEEELSA-N -1 3 267.329 1.437 10 0 CDAEHM CCSc1cccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000270687889 364707703 /nfs/dbraw/zinc/70/77/03/364707703.db2.gz BFSCFMFKRRYCJS-JTQLQIEISA-N -1 3 293.348 1.335 10 0 CDAEHM CC[C@H](NCc1nc(C)ccc1[O-])[C@@H](O)C(F)(F)F ZINC000270772189 364749774 /nfs/dbraw/zinc/74/97/74/364749774.db2.gz AELRXCGDLCCTOK-GZMMTYOYSA-N -1 3 278.274 1.887 10 0 CDAEHM C[C@@H](Cn1cncn1)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000270819835 364774494 /nfs/dbraw/zinc/77/44/94/364774494.db2.gz RIGTWORAMHHRNX-VIFPVBQESA-N -1 3 298.268 1.714 10 0 CDAEHM CNC(=O)[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C(C)C ZINC000412201388 240079030 /nfs/dbraw/zinc/07/90/30/240079030.db2.gz QVRGQFGHKIQGOR-ZDUSSCGKSA-N -1 3 292.335 1.095 10 0 CDAEHM C[C@@H]1CCCN1S(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC000471954218 365032119 /nfs/dbraw/zinc/03/21/19/365032119.db2.gz TVFMEFOHVUNIDK-SSDOTTSWSA-N -1 3 280.300 1.419 10 0 CDAEHM COC(=O)CCCCC(=O)Nc1nnc(SC)[n-]1 ZINC000275480511 193054059 /nfs/dbraw/zinc/05/40/59/193054059.db2.gz YNDWSBHSHABNMW-UHFFFAOYSA-N -1 3 272.330 1.199 10 0 CDAEHM COC(=O)CCCCC(=O)Nc1nc(SC)n[n-]1 ZINC000275480511 193054060 /nfs/dbraw/zinc/05/40/60/193054060.db2.gz YNDWSBHSHABNMW-UHFFFAOYSA-N -1 3 272.330 1.199 10 0 CDAEHM COC(=O)CCCCC(=O)Nc1n[n-]c(SC)n1 ZINC000275480511 193054062 /nfs/dbraw/zinc/05/40/62/193054062.db2.gz YNDWSBHSHABNMW-UHFFFAOYSA-N -1 3 272.330 1.199 10 0 CDAEHM COc1cc(C(=O)NC[C@H](O)C(F)(F)F)ccc1[O-] ZINC000272611559 365319654 /nfs/dbraw/zinc/31/96/54/365319654.db2.gz NZVIZTZWEGODAC-VIFPVBQESA-N -1 3 279.214 1.054 10 0 CDAEHM C[C@H]1COCC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000278469497 366875389 /nfs/dbraw/zinc/87/53/89/366875389.db2.gz JRSHYJJRRJANIT-KWQFWETISA-N -1 3 251.282 1.253 10 0 CDAEHM C[C@H]1COCC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000278469495 366875964 /nfs/dbraw/zinc/87/59/64/366875964.db2.gz JRSHYJJRRJANIT-GZMMTYOYSA-N -1 3 251.282 1.253 10 0 CDAEHM Cc1noc(CCNC(=O)c2ccc(C)cc2[O-])n1 ZINC000224385898 367331735 /nfs/dbraw/zinc/33/17/35/367331735.db2.gz HAQLULGILJTJBM-UHFFFAOYSA-N -1 3 261.281 1.365 10 0 CDAEHM CC(C)(CCO)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000227609874 367418561 /nfs/dbraw/zinc/41/85/61/367418561.db2.gz SKAXKQZCLYPKRR-UHFFFAOYSA-N -1 3 288.347 1.667 10 0 CDAEHM CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2c([O-])cccc2O)C1 ZINC000280843830 367562690 /nfs/dbraw/zinc/56/26/90/367562690.db2.gz VVFCJGYRIIQTPI-ZJUUUORDSA-N -1 3 293.319 1.559 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2cccc3c2OCO3)o1 ZINC000358463822 367701500 /nfs/dbraw/zinc/70/15/00/367701500.db2.gz MLXALKGFRPWMKL-UHFFFAOYSA-N -1 3 295.316 1.795 10 0 CDAEHM O=S(=O)([N-]C[C@H](O)Cc1ccccc1)c1cscn1 ZINC000576462438 317142437 /nfs/dbraw/zinc/14/24/37/317142437.db2.gz DCSHDWXZABZLSI-LLVKDONJSA-N -1 3 298.389 1.025 10 0 CDAEHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)CC1(OC)CCC1 ZINC000632011497 368073826 /nfs/dbraw/zinc/07/38/26/368073826.db2.gz XIVBFRCBPCVYDG-NEPJUHHUSA-N -1 3 293.429 1.272 10 0 CDAEHM CC1CCC(C)(C[N-]S(=O)(=O)c2cn(C)cn2)CC1 ZINC000360195471 368169694 /nfs/dbraw/zinc/16/96/94/368169694.db2.gz UEXCTNVXCZDASE-UHFFFAOYSA-N -1 3 285.413 1.915 10 0 CDAEHM Cc1nc(=NCCN2[C@H](C)CCC[C@@H]2C)s[n-]1 ZINC000361021892 368602785 /nfs/dbraw/zinc/60/27/85/368602785.db2.gz ISWOIQGBCLAZBZ-AOOOYVTPSA-N -1 3 254.403 1.943 10 0 CDAEHM Cc1ccc([C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cc1 ZINC000541387916 368630351 /nfs/dbraw/zinc/63/03/51/368630351.db2.gz VVHCSKJLGAGMNC-GFCCVEGCSA-N -1 3 258.325 1.808 10 0 CDAEHM C[C@@H]1CCCN(S(=O)(=O)[N-]c2cccc3c2OCO3)C1 ZINC000542015910 368719011 /nfs/dbraw/zinc/71/90/11/368719011.db2.gz VNNSTMDUFGLBEE-SNVBAGLBSA-N -1 3 298.364 1.804 10 0 CDAEHM COc1nnc(NC(=O)C(=O)Nc2ccc(Cl)cc2)[n-]1 ZINC000541845396 368685138 /nfs/dbraw/zinc/68/51/38/368685138.db2.gz UUJLMKYFNDYVOO-UHFFFAOYSA-N -1 3 295.686 1.044 10 0 CDAEHM COc1nc(NC(=O)C(=O)Nc2ccc(Cl)cc2)n[n-]1 ZINC000541845396 368685142 /nfs/dbraw/zinc/68/51/42/368685142.db2.gz UUJLMKYFNDYVOO-UHFFFAOYSA-N -1 3 295.686 1.044 10 0 CDAEHM COc1n[n-]c(NC(=O)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000541845396 368685147 /nfs/dbraw/zinc/68/51/47/368685147.db2.gz UUJLMKYFNDYVOO-UHFFFAOYSA-N -1 3 295.686 1.044 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2ccnc(C)c2)c[n-]1 ZINC000340231213 368843624 /nfs/dbraw/zinc/84/36/24/368843624.db2.gz MKJGZZYFHWQARV-UHFFFAOYSA-N -1 3 259.265 1.179 10 0 CDAEHM Cc1cc(CS(=O)(=O)c2ncc(C(C)(C)C)[n-]2)ncn1 ZINC000630436561 368951471 /nfs/dbraw/zinc/95/14/71/368951471.db2.gz OQIFBLRBMFPEGP-UHFFFAOYSA-N -1 3 294.380 1.780 10 0 CDAEHM Cc1cc(CS(=O)(=O)c2nc(C(C)(C)C)c[n-]2)ncn1 ZINC000630436561 368951477 /nfs/dbraw/zinc/95/14/77/368951477.db2.gz OQIFBLRBMFPEGP-UHFFFAOYSA-N -1 3 294.380 1.780 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H](O)CC(C)(C)C)o1 ZINC000330638620 203066924 /nfs/dbraw/zinc/06/69/24/203066924.db2.gz BFALYPZNLFSKFL-SNVBAGLBSA-N -1 3 275.370 1.663 10 0 CDAEHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cnc(C)s2)CCO1 ZINC000420735270 244349592 /nfs/dbraw/zinc/34/95/92/244349592.db2.gz WQESNOWZOQOILD-VHSXEESVSA-N -1 3 290.410 1.687 10 0 CDAEHM COc1cc(=NC(=O)c2cnc3ccsc3c2)[n-]n1C ZINC000547492820 369568712 /nfs/dbraw/zinc/56/87/12/369568712.db2.gz HMEHTCJFHXCXLZ-UHFFFAOYSA-N -1 3 288.332 1.713 10 0 CDAEHM CC[C@H]1CCC[C@@H]1NC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000547839204 369665242 /nfs/dbraw/zinc/66/52/42/369665242.db2.gz PGVLRMARIQUOGW-UWVGGRQHSA-N -1 3 266.345 1.551 10 0 CDAEHM CC[C@@]1(C)CCN(C(=O)N=c2cc(OC)n(C)[n-]2)C1 ZINC000548165661 369775628 /nfs/dbraw/zinc/77/56/28/369775628.db2.gz PPZVYDYCAWXLSE-ZDUSSCGKSA-N -1 3 266.345 1.505 10 0 CDAEHM COc1cc(=NC(=O)c2cc3ccccc3c(=O)[nH]2)[n-]n1C ZINC000548471340 369870167 /nfs/dbraw/zinc/87/01/67/369870167.db2.gz RLIUOUYTYBXTMM-UHFFFAOYSA-N -1 3 298.302 1.357 10 0 CDAEHM COc1cc(=NC(=O)c2cc(C)cc3c[nH]nc32)[n-]n1C ZINC000548471442 369870257 /nfs/dbraw/zinc/87/02/57/369870257.db2.gz YZGFMFOKTSOOPA-UHFFFAOYSA-N -1 3 285.307 1.288 10 0 CDAEHM COCCC1(C(=O)N=c2cc(OC)n(C)[n-]2)CCCC1 ZINC000548471784 369870452 /nfs/dbraw/zinc/87/04/52/369870452.db2.gz ZOPBIRKTUSQGEJ-UHFFFAOYSA-N -1 3 281.356 1.386 10 0 CDAEHM Cc1cccc(C(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)c1[O-] ZINC000137934790 369945457 /nfs/dbraw/zinc/94/54/57/369945457.db2.gz LOOKOHHQNMUWBW-DGCLKSJQSA-N -1 3 290.363 1.865 10 0 CDAEHM CC[C@H](C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)N(C)C ZINC000120612378 370432692 /nfs/dbraw/zinc/43/26/92/370432692.db2.gz QUUGIKPZWUYFAN-GFCCVEGCSA-N -1 3 288.355 1.069 10 0 CDAEHM CC[C@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)N(C)C ZINC000120612378 370432695 /nfs/dbraw/zinc/43/26/95/370432695.db2.gz QUUGIKPZWUYFAN-GFCCVEGCSA-N -1 3 288.355 1.069 10 0 CDAEHM CCC(C)(CC)NC(=O)C(=O)[N-]c1cnns1 ZINC000565492613 370460560 /nfs/dbraw/zinc/46/05/60/370460560.db2.gz MGLMHSUXRATJSJ-UHFFFAOYSA-N -1 3 256.331 1.172 10 0 CDAEHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)Cc1cc(C)on1)OC ZINC000295199765 371145982 /nfs/dbraw/zinc/14/59/82/371145982.db2.gz FBTDFQKDATYLOO-JOYOIKCWSA-N -1 3 290.385 1.464 10 0 CDAEHM COc1ccc([O-])c(C(=O)NCCCN2CCCC2=O)c1 ZINC000123013612 371224051 /nfs/dbraw/zinc/22/40/51/371224051.db2.gz LDMUMOVKOVORCW-UHFFFAOYSA-N -1 3 292.335 1.143 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)[C@H]1CCCC[C@@H]1OC ZINC000569115483 371236582 /nfs/dbraw/zinc/23/65/82/371236582.db2.gz HUZRKLGXCSWXGX-IUCAKERBSA-N -1 3 281.312 1.340 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)[C@H]1CCCC[C@@H]1OC ZINC000569115483 371236587 /nfs/dbraw/zinc/23/65/87/371236587.db2.gz HUZRKLGXCSWXGX-IUCAKERBSA-N -1 3 281.312 1.340 10 0 CDAEHM COCc1n[n-]c(=N[C@H]2C[C@H](C)N(C3CC3)C2)s1 ZINC000569297252 371253048 /nfs/dbraw/zinc/25/30/48/371253048.db2.gz FETBUMAMGGLAMN-IUCAKERBSA-N -1 3 268.386 1.144 10 0 CDAEHM CC[C@@H](NC(=O)c1cccc(OC)c1[O-])[C@@H](O)C(F)F ZINC000295466019 371292696 /nfs/dbraw/zinc/29/26/96/371292696.db2.gz MDEFQJHGXXKVLW-LDYMZIIASA-N -1 3 289.278 1.535 10 0 CDAEHM COc1cccc(CN2C[C@@H](OC)C[C@H]2CC(=O)[O-])c1 ZINC000572773938 371300892 /nfs/dbraw/zinc/30/08/92/371300892.db2.gz MJBFLHQTVKLHIR-JSGCOSHPSA-N -1 3 279.336 1.759 10 0 CDAEHM Cc1ccc2[n-]cc(C(=O)N[C@H]3CCCNC3=O)c(=O)c2c1 ZINC000295757927 371441569 /nfs/dbraw/zinc/44/15/69/371441569.db2.gz JIJXPIAGZHHQPT-ZDUSSCGKSA-N -1 3 299.330 1.257 10 0 CDAEHM COc1cc(=NC(=O)N[C@H]2CC3CCC2CC3)[n-]n1C ZINC000573419004 371534499 /nfs/dbraw/zinc/53/44/99/371534499.db2.gz IUIHIVYQLFKPKP-ILDUYXDCSA-N -1 3 278.356 1.551 10 0 CDAEHM Cc1cccc(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1[O-] ZINC000177411166 372100255 /nfs/dbraw/zinc/10/02/55/372100255.db2.gz MGNNQNGWGKQCNI-WDEREUQCSA-N -1 3 276.336 1.475 10 0 CDAEHM O=C(c1cc([O-])ccc1F)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000333118992 205046081 /nfs/dbraw/zinc/04/60/81/205046081.db2.gz UQPOXPYMVMFALA-KBPBESRZSA-N -1 3 295.310 1.551 10 0 CDAEHM Cc1ccc2c(n1)[n-]cc(C(=O)N(C)CCN(C)C)c2=O ZINC000176812862 372788368 /nfs/dbraw/zinc/78/83/68/372788368.db2.gz FGPUKKMTMVSDLB-UHFFFAOYSA-N -1 3 288.351 1.277 10 0 CDAEHM Cc1ccc2c([O-])c(C(=O)N(C)CCN(C)C)cnc2n1 ZINC000176812862 372788378 /nfs/dbraw/zinc/78/83/78/372788378.db2.gz FGPUKKMTMVSDLB-UHFFFAOYSA-N -1 3 288.351 1.277 10 0 CDAEHM CC(C)N1CC[C@H](N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C1=O ZINC000584529745 373944007 /nfs/dbraw/zinc/94/40/07/373944007.db2.gz XFIIEGACVJHQBX-WOPDTQHZSA-N -1 3 268.357 1.038 10 0 CDAEHM CCCn1c(=O)[n-]nc1SC[C@@H]1CCc2ncnn21 ZINC000631002644 374122711 /nfs/dbraw/zinc/12/27/11/374122711.db2.gz CBNHZWXVCNIMHP-QMMMGPOBSA-N -1 3 280.357 1.265 10 0 CDAEHM O=S(=O)([N-]C1CC(CO)C1)c1cc(F)ccc1Cl ZINC000660146694 412819561 /nfs/dbraw/zinc/81/95/61/412819561.db2.gz KGYVZVHITVQZNL-UHFFFAOYSA-N -1 3 293.747 1.528 10 0 CDAEHM C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cscn1)c1ccccc1 ZINC000660162147 412831141 /nfs/dbraw/zinc/83/11/41/412831141.db2.gz UFIAVMYQNWQISI-JOYOIKCWSA-N -1 3 298.389 1.544 10 0 CDAEHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000128107164 375105472 /nfs/dbraw/zinc/10/54/72/375105472.db2.gz DNHFFDCDOGHUOM-BXUZGUMPSA-N -1 3 286.335 1.599 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@H]2O)o1 ZINC000334425088 375353104 /nfs/dbraw/zinc/35/31/04/375353104.db2.gz WVVJRJHWPSGQQL-OCCSQVGLSA-N -1 3 293.344 1.525 10 0 CDAEHM COC1CCC(CNC(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000427065536 247090137 /nfs/dbraw/zinc/09/01/37/247090137.db2.gz VEXZLWVUPWAOCI-UHFFFAOYSA-N -1 3 288.351 1.893 10 0 CDAEHM O=C(NC[C@@H]1CC12CCSCC2)c1cc(=O)[n-]cn1 ZINC000627787571 375670947 /nfs/dbraw/zinc/67/09/47/375670947.db2.gz SSIPBXLCBYEIMN-VIFPVBQESA-N -1 3 279.365 1.445 10 0 CDAEHM Cc1noc(C[N-]S(=O)(=O)c2cccc(C(C)C)c2)n1 ZINC000428094888 247242168 /nfs/dbraw/zinc/24/21/68/247242168.db2.gz VEAVDAZAKMEFMD-UHFFFAOYSA-N -1 3 295.364 1.980 10 0 CDAEHM COCCN(Cc1ccnn1C)C(=O)c1cccc([O-])c1 ZINC000428699677 247351190 /nfs/dbraw/zinc/35/11/90/247351190.db2.gz JUZVMEZVMUXDLL-UHFFFAOYSA-N -1 3 289.335 1.415 10 0 CDAEHM C[C@@H](CN(C)C)N=c1cc(-c2ccccc2)n2[n-]cnc2n1 ZINC000631275882 376058205 /nfs/dbraw/zinc/05/82/05/376058205.db2.gz JQGLKUKXASEGGI-LBPRGKRZSA-N -1 3 296.378 1.575 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1.754 10 0 CDAEHM CN(C)C1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000134934865 393288175 /nfs/dbraw/zinc/28/81/75/393288175.db2.gz BFTLCLBTJVTXSV-UHFFFAOYSA-N -1 3 290.363 1.492 10 0 CDAEHM C[C@@H]1C[C@H](C)[C@@H](C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)O1 ZINC000548821965 393383946 /nfs/dbraw/zinc/38/39/46/393383946.db2.gz MATZNRRMLLOWPT-PKCZLINISA-N -1 3 279.340 1.435 10 0 CDAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2COCC2(C)C)c1 ZINC000451962734 393413073 /nfs/dbraw/zinc/41/30/73/393413073.db2.gz FZWWULHEWLPXJJ-JTQLQIEISA-N -1 3 287.385 1.167 10 0 CDAEHM CCc1nc2n(n1)C[C@H](NC(=O)c1cccc([O-])c1)CC2 ZINC000182450981 140020190 /nfs/dbraw/zinc/02/01/90/140020190.db2.gz HSUDYCJQVRDGPR-LLVKDONJSA-N -1 3 286.335 1.291 10 0 CDAEHM C[C@H](O)C[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000228191995 140192313 /nfs/dbraw/zinc/19/23/13/140192313.db2.gz BCWWWQASKSURIU-UWVGGRQHSA-N -1 3 274.320 1.417 10 0 CDAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C(C)(C)N)cc2)n1 ZINC000237645153 140256362 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148111114 /nfs/dbraw/zinc/11/11/14/148111114.db2.gz LLQSXCUVIMBHMK-UHFFFAOYSA-N -1 3 260.253 1.268 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(C(C)=O)cc2)n1 ZINC000179377384 148111117 /nfs/dbraw/zinc/11/11/17/148111117.db2.gz LLQSXCUVIMBHMK-UHFFFAOYSA-N -1 3 260.253 1.268 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)[n-]1 ZINC000182989411 148279386 /nfs/dbraw/zinc/27/93/86/148279386.db2.gz NQEWRFQDYHOZAW-WDEREUQCSA-N -1 3 288.307 1.564 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)n[n-]1 ZINC000182989411 148279390 /nfs/dbraw/zinc/27/93/90/148279390.db2.gz NQEWRFQDYHOZAW-WDEREUQCSA-N -1 3 288.307 1.564 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)n1 ZINC000182989411 148279395 /nfs/dbraw/zinc/27/93/95/148279395.db2.gz NQEWRFQDYHOZAW-WDEREUQCSA-N -1 3 288.307 1.564 10 0 CDAEHM CO[C@H]1CCCC[C@H]1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000294475173 286036649 /nfs/dbraw/zinc/03/66/49/286036649.db2.gz HAZHNAIRDZWWSA-RQJHMYQMSA-N -1 3 292.261 1.967 10 0 CDAEHM CO[C@H]1CCCC[C@H]1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000294475173 286036650 /nfs/dbraw/zinc/03/66/50/286036650.db2.gz HAZHNAIRDZWWSA-RQJHMYQMSA-N -1 3 292.261 1.967 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H](CO)C1 ZINC000311503049 149215244 /nfs/dbraw/zinc/21/52/44/149215244.db2.gz PTMWLCAAOPVDCD-GHMZBOCLSA-N -1 3 288.369 1.121 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1ccc(N2CCCC2)nc1 ZINC000352500803 155231015 /nfs/dbraw/zinc/23/10/15/155231015.db2.gz LRMQQKRTQWHWRY-UHFFFAOYSA-N -1 3 298.346 1.712 10 0 CDAEHM COc1ccc(C)cc1CC(=O)NCc1ncccc1[O-] ZINC000352502147 155232010 /nfs/dbraw/zinc/23/20/10/155232010.db2.gz RKFJMBDIBWJRDY-UHFFFAOYSA-N -1 3 286.331 1.963 10 0 CDAEHM O=C(CCc1ccc(O)cc1)NCc1ncccc1[O-] ZINC000352506188 155236349 /nfs/dbraw/zinc/23/63/49/155236349.db2.gz FIALKHWUGJTKQW-UHFFFAOYSA-N -1 3 272.304 1.742 10 0 CDAEHM CCc1onc(C)c1C(=O)NCc1ncccc1[O-] ZINC000352511083 155239029 /nfs/dbraw/zinc/23/90/29/155239029.db2.gz WBQFEQXPJVFSAH-UHFFFAOYSA-N -1 3 261.281 1.576 10 0 CDAEHM O=C(CCc1ccc(=O)[nH]c1)NCc1ncccc1[O-] ZINC000352515893 155243508 /nfs/dbraw/zinc/24/35/08/155243508.db2.gz IRXQGVYJTWKWFU-UHFFFAOYSA-N -1 3 273.292 1.137 10 0 CDAEHM O=S(=O)([N-][C@H]1CNCCC1(F)F)c1ccsc1 ZINC000334966107 150129091 /nfs/dbraw/zinc/12/90/91/150129091.db2.gz FWUKXUNSGRDPSK-QMMMGPOBSA-N -1 3 282.337 1.024 10 0 CDAEHM CN1CC[C@H]2CCN(C(=O)c3cc([O-])ccc3F)[C@@H]2C1 ZINC000336203833 151357308 /nfs/dbraw/zinc/35/73/08/151357308.db2.gz VKFCURUZYRGOQC-IINYFYTJSA-N -1 3 278.327 1.698 10 0 CDAEHM COc1ccc(C(=O)N2CC[C@H](C)[C@H](OC)C2)c([O-])c1 ZINC000188098982 286280699 /nfs/dbraw/zinc/28/06/99/286280699.db2.gz BVMHSULXMCPXOL-IINYFYTJSA-N -1 3 279.336 1.898 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)CC(C)(C)OC)c1nccs1 ZINC000349593569 154151057 /nfs/dbraw/zinc/15/10/57/154151057.db2.gz YEKPYKLIDLXSBS-VIFPVBQESA-N -1 3 292.426 1.939 10 0 CDAEHM CCc1ncnc(CC)c1C(=O)NCc1ncccc1[O-] ZINC000352221275 155034599 /nfs/dbraw/zinc/03/45/99/155034599.db2.gz LPXQKRZBVZQJHG-UHFFFAOYSA-N -1 3 286.335 1.632 10 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1.019 10 0 CDAEHM Cc1ccnc([N-]S(C)(=O)=O)c1Br ZINC000656741706 413618075 /nfs/dbraw/zinc/61/80/75/413618075.db2.gz UZOPQFVYVPBEEA-UHFFFAOYSA-N -1 3 265.132 1.524 10 0 CDAEHM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@@H]1CNCc2ccccc21 ZINC000656856525 413762896 /nfs/dbraw/zinc/76/28/96/413762896.db2.gz LJKZQTZBOGPMDD-LERXQTSPSA-N -1 3 288.347 1.338 10 0 CDAEHM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)C[C@H](N)c1ccccc1 ZINC000656856872 413763085 /nfs/dbraw/zinc/76/30/85/413763085.db2.gz TXDLIMMKDKNPBA-KGYLQXTDSA-N -1 3 276.336 1.541 10 0 CDAEHM CC(C)[C@H]([N-]S(=O)(=O)C1COC1)c1ccccc1F ZINC000657110036 413929924 /nfs/dbraw/zinc/92/99/24/413929924.db2.gz OXELLLQOIKLCID-ZDUSSCGKSA-N -1 3 287.356 1.841 10 0 CDAEHM CC(C)c1nc(S(=O)(=O)[N-]C[C@@]2(C)CC2(F)F)c[nH]1 ZINC000657154806 413986345 /nfs/dbraw/zinc/98/63/45/413986345.db2.gz CXDDJVYCMMPCPH-SNVBAGLBSA-N -1 3 293.339 1.857 10 0 CDAEHM Cn1cc(S(=O)(=O)[N-]CC[C@]2(C)CC2(F)F)cn1 ZINC000657158973 413987015 /nfs/dbraw/zinc/98/70/15/413987015.db2.gz 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/nfs/dbraw/zinc/56/40/61/414564061.db2.gz RZCSPNWDLKFYJL-OLZOCXBDSA-N -1 3 296.411 1.820 10 0 CDAEHM CC1(C)CCCC[C@H]1CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000662214010 414567520 /nfs/dbraw/zinc/56/75/20/414567520.db2.gz ITUJWPZOWHGYLV-LBPRGKRZSA-N -1 3 282.384 1.432 10 0 CDAEHM C[C@H](CNC(=O)CCCC(=O)[O-])N1CCCCC1 ZINC000038028164 174016632 /nfs/dbraw/zinc/01/66/32/174016632.db2.gz DFYJUWWLKZAWEM-LLVKDONJSA-N -1 3 256.346 1.232 10 0 CDAEHM CC(C)[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000040469712 174278324 /nfs/dbraw/zinc/27/83/24/174278324.db2.gz FHONBMRWKOPEBU-OLZOCXBDSA-N -1 3 276.336 1.008 10 0 CDAEHM CC[C@H](C)[C@H](NC(=O)C1(N)CCCCC1)C(=O)[O-] ZINC000040472414 174280658 /nfs/dbraw/zinc/28/06/58/174280658.db2.gz ITPXBVZKDCBGHH-UWVGGRQHSA-N -1 3 256.346 1.264 10 0 CDAEHM CC(C)[C@H](N)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000040472728 174280708 /nfs/dbraw/zinc/28/07/08/174280708.db2.gz PDALTWVPANQKEB-JTQLQIEISA-N -1 3 252.270 1.012 10 0 CDAEHM CC[C@@H](C)[C@@H](N)C(=O)NCCc1ccc(C(=O)[O-])cc1 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CC(C)[C@](C)(CC(=O)NC[C@@H]1CCCN(C)C1)C(=O)[O-] ZINC000044536255 175198720 /nfs/dbraw/zinc/19/87/20/175198720.db2.gz FNQDGONWVJXBPO-WFASDCNBSA-N -1 3 284.400 1.581 10 0 CDAEHM CCC[C@@](C)(NC(=O)NC[C@@H]1CCCN(C)C1)C(=O)[O-] ZINC000044560017 175204036 /nfs/dbraw/zinc/20/40/36/175204036.db2.gz NDKOLQAIKUNQLY-SMDDNHRTSA-N -1 3 285.388 1.271 10 0 CDAEHM CN1CCCC[C@@H]1CNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000044563961 175207874 /nfs/dbraw/zinc/20/78/74/175207874.db2.gz LVBFPYQOKSHZEE-UPJWGTAASA-N -1 3 280.368 1.254 10 0 CDAEHM O=C(CC1(C(=O)[O-])CCCC1)N[C@H]1CCN(C2CC2)C1 ZINC000044692942 175234085 /nfs/dbraw/zinc/23/40/85/175234085.db2.gz VZAIKGYIOBGGMB-NSHDSACASA-N -1 3 280.368 1.374 10 0 CDAEHM Cc1cc(C[N-]S(=O)(=O)c2c(N)ccc(C)c2C)on1 ZINC000044986731 175284708 /nfs/dbraw/zinc/28/47/08/175284708.db2.gz VGEYKSSGHTXFBF-UHFFFAOYSA-N -1 3 295.364 1.661 10 0 CDAEHM Cc1nnc(SCC(=O)[O-])n1C[C@@H](C)N1CCCCC1 ZINC000045005300 175288246 /nfs/dbraw/zinc/28/82/46/175288246.db2.gz 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290435838 /nfs/dbraw/zinc/43/58/38/290435838.db2.gz XWEOICULRPYBTO-LLVKDONJSA-N -1 3 294.376 1.132 10 0 CDAEHM O=C(CNC(=O)c1cccc([O-])c1)N[C@@H]1C[C@H]1C1CC1 ZINC000559604096 290454582 /nfs/dbraw/zinc/45/45/82/290454582.db2.gz JVMAJRFBBWAZFI-QWHCGFSZSA-N -1 3 274.320 1.037 10 0 CDAEHM O=C1[N-]C(=O)N2CCN(CC/C=C\c3ccccc3)C[C@H]12 ZINC000562703219 293178997 /nfs/dbraw/zinc/17/89/97/293178997.db2.gz SJXCWSAGNIQILT-SMGNDMQFSA-N -1 3 285.347 1.326 10 0 CDAEHM O=S(=O)(CCC1CCCC1)NCc1ncccc1[O-] ZINC000562718551 293183029 /nfs/dbraw/zinc/18/30/29/293183029.db2.gz HDBZZWINMYFGQL-UHFFFAOYSA-N -1 3 284.381 1.787 10 0 CDAEHM C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000563126365 293283062 /nfs/dbraw/zinc/28/30/62/293283062.db2.gz STNFJXFLSOWFIJ-CRWXNKLISA-N -1 3 296.411 1.724 10 0 CDAEHM CCC[C@H](C)[C@H](CO)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000569128095 294164045 /nfs/dbraw/zinc/16/40/45/294164045.db2.gz GJYORTKXOWXBLF-UFBFGSQYSA-N -1 3 294.330 1.624 10 0 CDAEHM CCC[C@H](C)[C@H](CO)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000569128095 294164049 /nfs/dbraw/zinc/16/40/49/294164049.db2.gz GJYORTKXOWXBLF-UFBFGSQYSA-N -1 3 294.330 1.624 10 0 CDAEHM CCC[C@H](C)[C@H](CO)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000569128095 294164053 /nfs/dbraw/zinc/16/40/53/294164053.db2.gz GJYORTKXOWXBLF-UFBFGSQYSA-N -1 3 294.330 1.624 10 0 CDAEHM c1[n-][nH]c2ncnc(=NC[C@@H]3CC34CCSCC4)c1-2 ZINC000570623124 294273501 /nfs/dbraw/zinc/27/35/01/294273501.db2.gz GUBYLNZONPTASX-VIFPVBQESA-N -1 3 275.381 1.672 10 0 CDAEHM CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000570974678 294345483 /nfs/dbraw/zinc/34/54/83/294345483.db2.gz XXRPJARBYXEOOI-DCAQKATOSA-N -1 3 277.372 1.183 10 0 CDAEHM Cc1ccc(C(=O)NCc2cccc(CO)n2)c([O-])c1C ZINC000574650638 295034525 /nfs/dbraw/zinc/03/45/25/295034525.db2.gz GIROZZIEBXUVBL-UHFFFAOYSA-N -1 3 286.331 1.826 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOC2(C)C)o1 ZINC000336307271 301692291 /nfs/dbraw/zinc/69/22/91/301692291.db2.gz 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324781699 /nfs/dbraw/zinc/78/16/99/324781699.db2.gz RLNAJMTVPCELSJ-LBPRGKRZSA-N -1 3 289.335 1.311 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC2)s1 ZINC000583180977 325121903 /nfs/dbraw/zinc/12/19/03/325121903.db2.gz VZKRRKWBEJGUKA-DTWKUNHWSA-N -1 3 258.368 1.528 10 0 CDAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)c(C)c1 ZINC000074969857 482455182 /nfs/dbraw/zinc/45/51/82/482455182.db2.gz OMDPJWVSVFYEDY-UHFFFAOYSA-N -1 3 293.291 1.325 10 0 CDAEHM COC(=O)[C@H](CCF)[N-]S(=O)(=O)CC1CCCCC1 ZINC000593633345 482450076 /nfs/dbraw/zinc/45/00/76/482450076.db2.gz NJLXAEYMYAGEIJ-NSHDSACASA-N -1 3 295.376 1.387 10 0 CDAEHM CN1CCC[C@H]([N-]S(=O)(=O)c2cncc(Cl)c2)C1 ZINC000677239555 482591907 /nfs/dbraw/zinc/59/19/07/482591907.db2.gz WAWOHYWDYOWMAT-JTQLQIEISA-N -1 3 289.788 1.108 10 0 CDAEHM COCCN1CCC[C@H]1CNC(=O)c1ccc([O-])c(F)c1 ZINC000681041536 482666656 /nfs/dbraw/zinc/66/66/56/482666656.db2.gz MBBRIPRQXSSOGP-LBPRGKRZSA-N -1 3 296.342 1.372 10 0 CDAEHM Cn1ncc(N=c2ncnc3[nH][n-]cc2-3)c1C(F)F 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C[C@H](CNC(=O)c1cccc2nn[n-]c21)c1ccncc1 ZINC000682164649 483156494 /nfs/dbraw/zinc/15/64/94/483156494.db2.gz RTOKEEQSNAQJND-SNVBAGLBSA-N -1 3 281.319 1.886 10 0 CDAEHM C[C@H](CNC(=O)c1cccc2[n-]nnc21)c1ccncc1 ZINC000682164649 483156498 /nfs/dbraw/zinc/15/64/98/483156498.db2.gz RTOKEEQSNAQJND-SNVBAGLBSA-N -1 3 281.319 1.886 10 0 CDAEHM C[C@H](CNC(=O)c1cccc2n[n-]nc21)c1ccncc1 ZINC000682164649 483156506 /nfs/dbraw/zinc/15/65/06/483156506.db2.gz RTOKEEQSNAQJND-SNVBAGLBSA-N -1 3 281.319 1.886 10 0 CDAEHM COCc1ccsc1C(=O)[N-]c1nn2cnnc2s1 ZINC000679364633 483349226 /nfs/dbraw/zinc/34/92/26/483349226.db2.gz ILNVZQXKJPFNTF-UHFFFAOYSA-N -1 3 295.349 1.646 10 0 CDAEHM CC(C)[C@H](CN(C)C)NC(=O)NCCCCCC(=O)[O-] ZINC000049230415 519814239 /nfs/dbraw/zinc/81/42/39/519814239.db2.gz HKDWSXNVUJXRLD-LBPRGKRZSA-N -1 3 287.404 1.517 10 0 CDAEHM CCCC[C@H](C)[N-]S(=O)(=O)c1cn(CC)nc1N ZINC000050886846 521152905 /nfs/dbraw/zinc/15/29/05/521152905.db2.gz KWHQIVWSOXIHBG-VIFPVBQESA-N -1 3 274.390 1.342 10 0 CDAEHM O=C(CCc1ccc(O)cc1)[N-]OCc1ccccn1 ZINC001626091171 1161497735 /nfs/dbraw/zinc/49/77/35/1161497735.db2.gz NWHFTQXQMWUAFQ-UHFFFAOYSA-N -1 3 272.304 1.968 10 0 CDAEHM CCN(C(=O)N[C@H]1CCN(C2CC2)C1)[C@H](C)CC(=O)[O-] ZINC000061214541 519989549 /nfs/dbraw/zinc/98/95/49/519989549.db2.gz SNLAXLTWVPEPMW-MNOVXSKESA-N -1 3 283.372 1.118 10 0 CDAEHM CCN(CC(=O)N1[C@H](C)CCC[C@@H]1C)C[C@@H](C)C(=O)[O-] ZINC000061220733 520320408 /nfs/dbraw/zinc/32/04/08/520320408.db2.gz MNFWBRGTEYXMAK-UPJWGTAASA-N -1 3 284.400 1.819 10 0 CDAEHM CCN(CC(=O)Nc1ccc(OC)cc1)[C@@H](C)CC(=O)[O-] ZINC000061183194 520360470 /nfs/dbraw/zinc/36/04/70/520360470.db2.gz ACKMOXKHORWQQC-NSHDSACASA-N -1 3 294.351 1.819 10 0 CDAEHM CCN(CC)C(=O)[C@H](C)N(CC)C[C@@H](C)C(=O)[O-] ZINC000061218692 520533225 /nfs/dbraw/zinc/53/32/25/520533225.db2.gz LQJXRQPMZILNOG-MNOVXSKESA-N -1 3 258.362 1.286 10 0 CDAEHM CCOC(=O)[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000049497903 521204002 /nfs/dbraw/zinc/20/40/02/521204002.db2.gz 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/nfs/dbraw/zinc/90/65/39/523906539.db2.gz KNRXIQMVGGLEDD-SCZZXKLOSA-N -1 3 270.402 1.420 10 0 CDAEHM CO[C@H](C)c1nc(=NC[C@@H](C2CC2)N(C)C)s[n-]1 ZINC000337912389 523906543 /nfs/dbraw/zinc/90/65/43/523906543.db2.gz KNRXIQMVGGLEDD-SCZZXKLOSA-N -1 3 270.402 1.420 10 0 CDAEHM Cc1cc(NC(=O)C2CC3(C2)NC(=O)[N-]C3=O)ccc1F ZINC000157519586 525116615 /nfs/dbraw/zinc/11/66/15/525116615.db2.gz PTEZGVYRWFYDAH-UHFFFAOYSA-N -1 3 291.282 1.061 10 0 CDAEHM C[C@H]([N-]S(=O)(=O)c1ccc[nH]c1=NN)C1CCCCC1 ZINC000052343962 525513867 /nfs/dbraw/zinc/51/38/67/525513867.db2.gz LDRYBTZTYULQDB-JTQLQIEISA-N -1 3 298.412 1.614 10 0 CDAEHM CSc1nnc(NC(=O)[C@@H](C)C2CCOCC2)[n-]1 ZINC000339393166 526205201 /nfs/dbraw/zinc/20/52/01/526205201.db2.gz UPNLALWLCQSBCI-ZETCQYMHSA-N -1 3 270.358 1.528 10 0 CDAEHM CSc1n[n-]c(NC(=O)[C@@H](C)C2CCOCC2)n1 ZINC000339393166 526205208 /nfs/dbraw/zinc/20/52/08/526205208.db2.gz UPNLALWLCQSBCI-ZETCQYMHSA-N -1 3 270.358 1.528 10 0 CDAEHM CSc1nc(NC(=O)[C@@H](C)C2CCOCC2)n[n-]1 ZINC000339393166 526205215 /nfs/dbraw/zinc/20/52/15/526205215.db2.gz UPNLALWLCQSBCI-ZETCQYMHSA-N -1 3 270.358 1.528 10 0 CDAEHM Nc1c(Cl)ncnc1Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000062362427 527433240 /nfs/dbraw/zinc/43/32/40/527433240.db2.gz AKSQHXMIJQHWPK-UHFFFAOYSA-N -1 3 289.682 1.339 10 0 CDAEHM CCc1ccc(C(=O)NC[C@@H]2CN(C)CCO2)c([O-])c1 ZINC000190669650 536165777 /nfs/dbraw/zinc/16/57/77/536165777.db2.gz NLFVEVAVLJDLKA-GFCCVEGCSA-N -1 3 278.352 1.015 10 0 CDAEHM COC(=O)CSCCNC(=O)c1cccc(OC)c1[O-] ZINC000264237335 536483033 /nfs/dbraw/zinc/48/30/33/536483033.db2.gz BDWFKBPUEOVOOU-UHFFFAOYSA-N -1 3 299.348 1.037 10 0 CDAEHM CCn1nc(C)cc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119865578 538201011 /nfs/dbraw/zinc/20/10/11/538201011.db2.gz YTVOEFYAQRNGQJ-UHFFFAOYSA-N -1 3 299.338 1.587 10 0 CDAEHM CCn1nc(C)cc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119865578 538201019 /nfs/dbraw/zinc/20/10/19/538201019.db2.gz YTVOEFYAQRNGQJ-UHFFFAOYSA-N -1 3 299.338 1.587 10 0 CDAEHM 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O=C(Nc1ccccc1[O-])[C@H]1CCCC12OCCO2 ZINC000773852932 575841713 /nfs/dbraw/zinc/84/17/13/575841713.db2.gz SMWOJAYCUIIWGE-SNVBAGLBSA-N -1 3 263.293 1.874 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000764421433 575906202 /nfs/dbraw/zinc/90/62/02/575906202.db2.gz UGFAZBDYNYEKLP-UHFFFAOYSA-N -1 3 298.346 1.293 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCC[C@@H](c3ccnn3C)C2)n1 ZINC000761864862 576599419 /nfs/dbraw/zinc/59/94/19/576599419.db2.gz KQHAZMHZRTYAEV-GFCCVEGCSA-N -1 3 287.367 1.604 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCOC[C@H]2c2ccco2)n1 ZINC000761877173 576602450 /nfs/dbraw/zinc/60/24/50/576602450.db2.gz UQDLYOZCNHXGBY-NSHDSACASA-N -1 3 275.308 1.657 10 0 CDAEHM CC(C)C(=O)OCC(=O)N=c1cc[n-]n1[C@@H](C)C1CC1 ZINC000744477041 576682681 /nfs/dbraw/zinc/68/26/81/576682681.db2.gz FRCMUPZIRVAOAU-JTQLQIEISA-N -1 3 279.340 1.414 10 0 CDAEHM COCCO[N-]C(=O)/C=C(\C)c1cccc(OC)c1 ZINC000751400271 577038657 /nfs/dbraw/zinc/03/86/57/577038657.db2.gz RZABKVXFZOSETN-PKNBQFBNSA-N -1 3 265.309 1.793 10 0 CDAEHM NC(=O)CON=C([O-])Nc1csc2ccccc12 ZINC000757986586 577065102 /nfs/dbraw/zinc/06/51/02/577065102.db2.gz UNSYARNZCYUJOB-UHFFFAOYSA-N -1 3 265.294 1.440 10 0 CDAEHM NC(=O)CO[N-]C(=O)Nc1csc2ccccc12 ZINC000757986586 577065105 /nfs/dbraw/zinc/06/51/05/577065105.db2.gz UNSYARNZCYUJOB-UHFFFAOYSA-N -1 3 265.294 1.440 10 0 CDAEHM CC/C(C)=C/C(=O)NC[C@@H](NC(=O)c1cn[n-]n1)C(C)C ZINC001689008225 1175082689 /nfs/dbraw/zinc/08/26/89/1175082689.db2.gz MYULKQZICUUDAE-CDCCAWJDSA-N -1 3 293.371 1.032 10 0 CDAEHM O=C([O-])[C@]1(F)CN(C[C@H]2CCC=CO2)CC12CCC2 ZINC000901914865 618334951 /nfs/dbraw/zinc/33/49/51/618334951.db2.gz KBJQQVGPTVMBAW-BXUZGUMPSA-N -1 3 269.316 1.958 10 0 CDAEHM C[C@](CCF)(NCc1cc2n(n1)CCCC2)C(=O)[O-] ZINC000901916836 618338990 /nfs/dbraw/zinc/33/89/90/618338990.db2.gz YPQMRLIIJMXODG-CYBMUJFWSA-N -1 3 269.320 1.512 10 0 CDAEHM Cc1ccc(CN2CC[C@@](O)(C(=O)[O-])C2)cc1F ZINC000901900775 618350402 /nfs/dbraw/zinc/35/04/02/618350402.db2.gz GJRUSOAGYYNIDJ-ZDUSSCGKSA-N -1 3 253.273 1.156 10 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TXIHJISUALTNRM-UHFFFAOYSA-N -1 3 297.318 1.152 10 0 CDAEHM CCC1([N-]S(=O)(=O)N=S(=O)(CC)CC)CCC1 ZINC000866909333 620365752 /nfs/dbraw/zinc/36/57/52/620365752.db2.gz JICLBVCFGYBBOM-UHFFFAOYSA-N -1 3 282.431 1.661 10 0 CDAEHM CCn1c(C)cc2n[n-]c(NC(=O)c3[nH]ccc3C)c2c1=O ZINC000898027254 621295665 /nfs/dbraw/zinc/29/56/65/621295665.db2.gz VSSVWYIOGITQOR-UHFFFAOYSA-N -1 3 299.334 1.942 10 0 CDAEHM CCCO[N-]C(=O)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000898089683 621314213 /nfs/dbraw/zinc/31/42/13/621314213.db2.gz AGWUPFZPMKFZTD-LBPRGKRZSA-N -1 3 271.357 1.810 10 0 CDAEHM CC(=O)CCCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898205324 621361787 /nfs/dbraw/zinc/36/17/87/621361787.db2.gz MUJNGDKVIPAELG-SNVBAGLBSA-N -1 3 265.313 1.191 10 0 CDAEHM CC(C)(C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)C1CC1 ZINC000898221550 621366448 /nfs/dbraw/zinc/36/64/48/621366448.db2.gz LZMSSYIMVHKWQF-VIFPVBQESA-N -1 3 263.341 1.867 10 0 CDAEHM Cc1nc(C)c(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)o1 ZINC000898215876 621367572 /nfs/dbraw/zinc/36/75/72/621367572.db2.gz KLTLCDFHTLBMEO-VIFPVBQESA-N -1 3 276.296 1.350 10 0 CDAEHM O=C(c1ccc2cccnn21)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217674 621370614 /nfs/dbraw/zinc/37/06/14/621370614.db2.gz PJQVGUSUYIJLIF-JTQLQIEISA-N -1 3 297.318 1.393 10 0 CDAEHM CC(C)n1cnc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC000898220624 621373019 /nfs/dbraw/zinc/37/30/19/621373019.db2.gz AZXIIVGWTOMTND-SNVBAGLBSA-N -1 3 289.339 1.522 10 0 CDAEHM COC(C)(C)CC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898222155 621410061 /nfs/dbraw/zinc/41/00/61/621410061.db2.gz UFDDIQIFICWMJZ-SECBINFHSA-N -1 3 267.329 1.246 10 0 CDAEHM COC1(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)CCCCC1 ZINC000898222408 621410150 /nfs/dbraw/zinc/41/01/50/621410150.db2.gz VBMIHVGUYYBZAN-NSHDSACASA-N -1 3 293.367 1.781 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC000899431152 622251543 /nfs/dbraw/zinc/25/15/43/622251543.db2.gz CFVBTXVVTBRTEF-GDBMZVCRSA-N -1 3 293.338 1.837 10 0 CDAEHM 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360021203 /nfs/dbraw/zinc/02/12/03/360021203.db2.gz FUQHOKJJDFGICW-UHFFFAOYSA-N -1 3 275.308 1.202 10 0 CDAEHM C[C@@H]1CCCN(Cc2cnn(CC(F)F)c2)[C@H]1C(=O)[O-] ZINC000424406669 360041677 /nfs/dbraw/zinc/04/16/77/360041677.db2.gz ARPJHBCMIBLSLW-BXKDBHETSA-N -1 3 287.310 1.833 10 0 CDAEHM Cc1cccc2c(=O)c(C(=O)N3CC(C)C3)c[n-]c12 ZINC000335435669 360177404 /nfs/dbraw/zinc/17/74/04/360177404.db2.gz KWWJNGJRAPHTDG-UHFFFAOYSA-N -1 3 256.305 1.928 10 0 CDAEHM CC(C)(C)N1CC[C@H]1CNC(=O)CC1(C(=O)[O-])CCC1 ZINC000634844694 360282577 /nfs/dbraw/zinc/28/25/77/360282577.db2.gz QCHDJOZNOJWUOA-NSHDSACASA-N -1 3 282.384 1.620 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)C[C@H]1CCC1(F)F)c1csnn1 ZINC000632460252 360323328 /nfs/dbraw/zinc/32/33/28/360323328.db2.gz VQMBOSCUTLWREU-RNFRBKRXSA-N -1 3 297.352 1.564 10 0 CDAEHM CCc1ncc(C[N-]S(=O)(=O)c2cccs2)o1 ZINC000515989902 360555215 /nfs/dbraw/zinc/55/52/15/360555215.db2.gz JPFBJLMJISBJNU-UHFFFAOYSA-N -1 3 272.351 1.777 10 0 CDAEHM COc1cc(C(=O)NCc2ccnn2C)cc(OC)c1[O-] 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O=C(Cn1cc(Cl)c(=O)[n-]c1=O)[C@@H]1Cc2ccccc21 ZINC000336570274 363758051 /nfs/dbraw/zinc/75/80/51/363758051.db2.gz TVZOVELFUUIJQU-SNVBAGLBSA-N -1 3 290.706 1.511 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCO[C@H](CCF)C1 ZINC000629019940 361417053 /nfs/dbraw/zinc/41/70/53/361417053.db2.gz ZLTJYLVHVTUCPS-SNVBAGLBSA-N -1 3 269.272 1.298 10 0 CDAEHM COc1ccc(C(=O)N[C@@H](C)[C@H](C)CO)c([O-])c1 ZINC000133984622 361484554 /nfs/dbraw/zinc/48/45/54/361484554.db2.gz GGRSGFFXCBUMNN-BDAKNGLRSA-N -1 3 253.298 1.148 10 0 CDAEHM CO[C@@H]1CN(C(=O)c2ccc(C)cc2[O-])[C@@](C)(CO)C1 ZINC000634067839 361488594 /nfs/dbraw/zinc/48/85/94/361488594.db2.gz KDNBYSIDWHASFF-XHDPSFHLSA-N -1 3 279.336 1.313 10 0 CDAEHM CO[C@H](C)[C@H](C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436874962 361596976 /nfs/dbraw/zinc/59/69/76/361596976.db2.gz XDJDCKIZICHZQE-DTWKUNHWSA-N -1 3 280.324 1.504 10 0 CDAEHM Cc1nc(Cn2cc(Cl)c(=O)[n-]c2=O)c(C)o1 ZINC000629160093 361653028 /nfs/dbraw/zinc/65/30/28/361653028.db2.gz MIALCHDNKVDIDD-UHFFFAOYSA-N -1 3 255.661 1.255 10 0 CDAEHM CSc1ccc([O-])c(C(=O)NCC2COC2)c1 ZINC000629203021 361705200 /nfs/dbraw/zinc/70/52/00/361705200.db2.gz VONANDKRDPSOIJ-UHFFFAOYSA-N -1 3 253.323 1.490 10 0 CDAEHM Cn1c2cc([O-])c(NC(=O)[C@@H]3CC34CC4)cc2n(C)c1=O ZINC000643352545 361697322 /nfs/dbraw/zinc/69/73/22/361697322.db2.gz KYSVCUFMJOVMDA-QMMMGPOBSA-N -1 3 287.319 1.321 10 0 CDAEHM C[C@H](NC(=O)c1c[n-]nn1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000438393870 361729513 /nfs/dbraw/zinc/72/95/13/361729513.db2.gz PEAPBSSVNYTDNS-MWODSPESSA-N -1 3 272.308 1.488 10 0 CDAEHM C[C@H](NC(=O)c1cnn[n-]1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000438393870 361729518 /nfs/dbraw/zinc/72/95/18/361729518.db2.gz PEAPBSSVNYTDNS-MWODSPESSA-N -1 3 272.308 1.488 10 0 CDAEHM C[C@H](NC(=O)c1cn[n-]n1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000438393870 361729522 /nfs/dbraw/zinc/72/95/22/361729522.db2.gz PEAPBSSVNYTDNS-MWODSPESSA-N -1 3 272.308 1.488 10 0 CDAEHM CC[C@H]1OCCC[C@@H]1C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000636287141 363933566 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O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)C(=O)c1ccccc1 ZINC000352994222 364700868 /nfs/dbraw/zinc/70/08/68/364700868.db2.gz SQXCNDKUBBCLKX-LBPRGKRZSA-N -1 3 285.303 1.505 10 0 CDAEHM COCCCC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352994763 364700917 /nfs/dbraw/zinc/70/09/17/364700917.db2.gz UXLAUYKLFANNNL-JTQLQIEISA-N -1 3 253.302 1.048 10 0 CDAEHM COC[C@@H]1CCCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000412405903 240196557 /nfs/dbraw/zinc/19/65/57/240196557.db2.gz AJUWEWLYXORAEC-LLVKDONJSA-N -1 3 279.336 1.987 10 0 CDAEHM CCCc1cc(NC(=O)c2ccc3n[n-]nc3c2)n[nH]1 ZINC000109913218 364968443 /nfs/dbraw/zinc/96/84/43/364968443.db2.gz IKKNXEJCOBZAQK-UHFFFAOYSA-N -1 3 270.296 1.886 10 0 CDAEHM O=C(NCCOCC1CCCC1)NCc1ncccc1[O-] ZINC000455618082 252399771 /nfs/dbraw/zinc/39/97/71/252399771.db2.gz MBTMHOZKLWYFAD-UHFFFAOYSA-N -1 3 293.367 1.793 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCC[C@@H](n2cncn2)C1 ZINC000170896998 365156333 /nfs/dbraw/zinc/15/63/33/365156333.db2.gz LSGNKDWSFSLFJG-LLVKDONJSA-N -1 3 272.308 1.461 10 0 CDAEHM CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)c2cccc([O-])c2)C1 ZINC000272728837 365368457 /nfs/dbraw/zinc/36/84/57/365368457.db2.gz JPPNICIVHNJOMK-STQMWFEESA-N -1 3 290.363 1.769 10 0 CDAEHM C[C@@H]1C[C@H]1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000643039192 365463711 /nfs/dbraw/zinc/46/37/11/365463711.db2.gz ZWCRQNRPJFWUJU-HTQZYQBOSA-N -1 3 275.308 1.177 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-]C[C@@H](C)Cn2ccnc2)c1 ZINC000414460976 241213222 /nfs/dbraw/zinc/21/32/22/241213222.db2.gz RKEKYCGGBXMXAO-LLVKDONJSA-N -1 3 299.421 1.868 10 0 CDAEHM C[C@@H](C(=O)NCc1ncccc1[O-])N(C)CC(F)(F)F ZINC000357460412 367011890 /nfs/dbraw/zinc/01/18/90/367011890.db2.gz BXFNYRZJWQBHKK-QMMMGPOBSA-N -1 3 291.273 1.286 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1ccc2oc(=O)[nH]c2c1 ZINC000357465793 367014535 /nfs/dbraw/zinc/01/45/35/367014535.db2.gz JXPSELRCAKLDRP-UHFFFAOYSA-N -1 3 285.259 1.564 10 0 CDAEHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c[nH]c(=O)s2)[C@@H](C)C1 ZINC000631960886 367046001 /nfs/dbraw/zinc/04/60/01/367046001.db2.gz ZIZSWLRZMQXVSB-VGMNWLOBSA-N -1 3 290.410 1.952 10 0 CDAEHM CC=C(C=CC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)CC ZINC000279574460 367049551 /nfs/dbraw/zinc/04/95/51/367049551.db2.gz SZRAYQXATKZEIZ-ZANQAIIVSA-N -1 3 291.351 1.100 10 0 CDAEHM CCC[C@](C)(O)CNC(=O)c1cccc(OC)c1[O-] ZINC000224925619 367336927 /nfs/dbraw/zinc/33/69/27/367336927.db2.gz ZMBFGFSGULHWKH-AWEZNQCLSA-N -1 3 267.325 1.682 10 0 CDAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCF)c(Cl)c1 ZINC000280520544 367425801 /nfs/dbraw/zinc/42/58/01/367425801.db2.gz DWEBAMUXXHKPJB-UHFFFAOYSA-N -1 3 295.719 1.374 10 0 CDAEHM COc1nc(C(=O)[N-]c2nnc3[n-][nH+]c(C)c(C)c2-3)co1 ZINC000627121577 367492797 /nfs/dbraw/zinc/49/27/97/367492797.db2.gz ZHBNWUINBWCPAZ-UHFFFAOYSA-N -1 3 288.267 1.219 10 0 CDAEHM COC(=O)CCCCCNC(=O)c1c([O-])cccc1O ZINC000228854685 367455808 /nfs/dbraw/zinc/45/58/08/367455808.db2.gz NXCXFMSBTOJJAF-UHFFFAOYSA-N -1 3 281.308 1.561 10 0 CDAEHM CCC[C@@](C)(O)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000231684351 367551884 /nfs/dbraw/zinc/55/18/84/367551884.db2.gz VQWIWVHJNRNCEG-MRXNPFEDSA-N -1 3 288.347 1.809 10 0 CDAEHM C[C@@H](CC(=O)Nc1ccncc1[O-])c1cccnc1 ZINC000358357228 367629975 /nfs/dbraw/zinc/62/99/75/367629975.db2.gz QWVVBMBDMGOCMQ-JTQLQIEISA-N -1 3 257.293 1.736 10 0 CDAEHM O=C(NC[C@@H]1COc2ccccc2O1)c1cccc([O-])c1 ZINC000340108184 367679984 /nfs/dbraw/zinc/67/99/84/367679984.db2.gz OSTZYCJMXKMQPH-CYBMUJFWSA-N -1 3 285.299 1.962 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCc2ccncc2)o1 ZINC000358596496 367804187 /nfs/dbraw/zinc/80/41/87/367804187.db2.gz IUNCPONJGARZRZ-UHFFFAOYSA-N -1 3 266.322 1.504 10 0 CDAEHM Cc1cc(C(=O)N2CC(=O)N(C)[C@H](C)C2)ccc1[O-] ZINC000282489314 367910200 /nfs/dbraw/zinc/91/02/00/367910200.db2.gz WBPPPTNVDDDYSR-SNVBAGLBSA-N -1 3 262.309 1.003 10 0 CDAEHM Cc1[nH]nc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000359930862 368031137 /nfs/dbraw/zinc/03/11/37/368031137.db2.gz VJEOOPAZUBOICM-UHFFFAOYSA-N -1 3 283.295 1.459 10 0 CDAEHM Cc1[nH]nc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000359930862 368031143 /nfs/dbraw/zinc/03/11/43/368031143.db2.gz VJEOOPAZUBOICM-UHFFFAOYSA-N -1 3 283.295 1.459 10 0 CDAEHM CCc1[n-][nH]c(=NC(=O)[C@H](C)[C@H](C)COC)c1C ZINC000360198885 368171380 /nfs/dbraw/zinc/17/13/80/368171380.db2.gz NDCCIHMYCAQWMO-RKDXNWHRSA-N -1 3 253.346 1.560 10 0 CDAEHM COc1cccc(C(=O)NCCNC(=O)C(C)(C)C)c1[O-] ZINC000123673884 368197923 /nfs/dbraw/zinc/19/79/23/368197923.db2.gz FXDXRHWAPIIHNY-UHFFFAOYSA-N -1 3 294.351 1.293 10 0 CDAEHM Cc1ccc(CC(=O)Nc2nc(-c3ccccn3)n[n-]2)s1 ZINC000065880094 368716940 /nfs/dbraw/zinc/71/69/40/368716940.db2.gz HEWNTBIPHDKBSH-UHFFFAOYSA-N -1 3 299.359 1.840 10 0 CDAEHM CN(CCC(N)=O)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000286179910 368719133 /nfs/dbraw/zinc/71/91/33/368719133.db2.gz JAWGNKGFIBVHCE-UHFFFAOYSA-N -1 3 276.336 1.218 10 0 CDAEHM O=S(=O)(Cc1nc(CC2CC2)no1)c1cccc([O-])c1 ZINC000630418232 368915523 /nfs/dbraw/zinc/91/55/23/368915523.db2.gz WJRLTVMHTLEASC-UHFFFAOYSA-N -1 3 294.332 1.702 10 0 CDAEHM CC(C)(O)CON=C([O-])Nc1ccc(N2CCC2=O)cc1 ZINC000286634840 368917616 /nfs/dbraw/zinc/91/76/16/368917616.db2.gz DMBVOTLTSBSPHJ-UHFFFAOYSA-N -1 3 293.323 1.247 10 0 CDAEHM CC(C)(O)CO[N-]C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000286634840 368917620 /nfs/dbraw/zinc/91/76/20/368917620.db2.gz DMBVOTLTSBSPHJ-UHFFFAOYSA-N -1 3 293.323 1.247 10 0 CDAEHM C[C@]1(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)CCOC1 ZINC000543619204 368940032 /nfs/dbraw/zinc/94/00/32/368940032.db2.gz HATDYXLEKLGQCY-AWEZNQCLSA-N -1 3 272.308 1.259 10 0 CDAEHM COCc1csc([N-]C(=O)c2cc(C)no2)n1 ZINC000115241273 369159117 /nfs/dbraw/zinc/15/91/17/369159117.db2.gz LRKGIKLUNKDGMD-UHFFFAOYSA-N -1 3 253.283 1.838 10 0 CDAEHM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)Cc1cc(C)no1 ZINC000577640240 317374562 /nfs/dbraw/zinc/37/45/62/317374562.db2.gz HHAMJHITSPTNSD-CABZTGNLSA-N -1 3 290.385 1.200 10 0 CDAEHM CCN(Cc1ccccn1)C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000547515146 369575850 /nfs/dbraw/zinc/57/58/50/369575850.db2.gz DTEPEKNBWQQMKT-UHFFFAOYSA-N -1 3 289.339 1.300 10 0 CDAEHM COC(=O)CCCON=C([O-])Nc1ccc(Cl)cn1 ZINC000289849945 369688952 /nfs/dbraw/zinc/68/89/52/369688952.db2.gz UTUPGXFQXJPGPH-UHFFFAOYSA-N -1 3 287.703 1.741 10 0 CDAEHM COC(=O)CCCO[N-]C(=O)Nc1ccc(Cl)cn1 ZINC000289849945 369688956 /nfs/dbraw/zinc/68/89/56/369688956.db2.gz UTUPGXFQXJPGPH-UHFFFAOYSA-N -1 3 287.703 1.741 10 0 CDAEHM CCS[C@@H]1CCC[C@H]1NC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000548165626 369774893 /nfs/dbraw/zinc/77/48/93/369774893.db2.gz JTHDFEBIYIADEQ-NXEZZACHSA-N -1 3 298.412 1.646 10 0 CDAEHM COCc1nc(C(=O)Nc2cc(F)ccc2[O-])co1 ZINC000548186850 369781267 /nfs/dbraw/zinc/78/12/67/369781267.db2.gz QMWUMEORVIXYRR-UHFFFAOYSA-N -1 3 266.228 1.918 10 0 CDAEHM CC[C@@H](C)CN(C)C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000548495189 369876773 /nfs/dbraw/zinc/87/67/73/369876773.db2.gz SWACQKGFYWYZGU-SECBINFHSA-N -1 3 254.334 1.360 10 0 CDAEHM CC[C@@](C)(C[N-]S(=O)(=O)c1cscn1)OC ZINC000582357676 370532429 /nfs/dbraw/zinc/53/24/29/370532429.db2.gz HQVUSRIPJNOYKP-VIFPVBQESA-N -1 3 264.372 1.237 10 0 CDAEHM CCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)N[C@@H](C)CC ZINC000023763123 370642644 /nfs/dbraw/zinc/64/26/44/370642644.db2.gz LSRFXOSYBGMDFZ-IUCAKERBSA-N -1 3 286.401 1.789 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](C)CSC ZINC000295552483 371337962 /nfs/dbraw/zinc/33/79/62/371337962.db2.gz KKOJMHZIEOQRAP-VIFPVBQESA-N -1 3 290.410 1.510 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-][C@H](C)CSC ZINC000295552478 371338081 /nfs/dbraw/zinc/33/80/81/371338081.db2.gz KKOJMHZIEOQRAP-SECBINFHSA-N -1 3 290.410 1.510 10 0 CDAEHM O=C(NC[C@@H]1C[C@H]1C1CC1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000573075327 371413289 /nfs/dbraw/zinc/41/32/89/371413289.db2.gz APWVMKOOFLLRDT-CABZTGNLSA-N -1 3 299.330 1.738 10 0 CDAEHM COc1cc(C(=O)N2CCC[C@@H](O)[C@H]2C)cc(OC)c1[O-] ZINC000295865093 371491290 /nfs/dbraw/zinc/49/12/90/371491290.db2.gz CMFJWDWOTQQVLQ-MWLCHTKSSA-N -1 3 295.335 1.395 10 0 CDAEHM CCC(CC)NC(=O)[C@H](C)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000578012411 372221135 /nfs/dbraw/zinc/22/11/35/372221135.db2.gz FXULFEVLRKYPEQ-NTZNESFSSA-N -1 3 284.400 1.722 10 0 CDAEHM CCc1nc(C2([N-]S(=O)(=O)CC)CCCC2)no1 ZINC000177607629 372911675 /nfs/dbraw/zinc/91/16/75/372911675.db2.gz RSYFXKFMLQBXBV-UHFFFAOYSA-N -1 3 273.358 1.341 10 0 CDAEHM O=S(=O)(N[C@H]1CCO[C@H](C2CC2)C1)c1ccc([O-])cc1 ZINC000333515150 205395156 /nfs/dbraw/zinc/39/51/56/205395156.db2.gz VBAKTFOUDBCRLD-FZMZJTMJSA-N -1 3 297.376 1.628 10 0 CDAEHM CN(C)c1n[nH]c([N-]C(=O)C(=O)c2ccc3c(c2)CCC3)n1 ZINC000340968331 373189014 /nfs/dbraw/zinc/18/90/14/373189014.db2.gz RDHXHQFGYRDZKN-UHFFFAOYSA-N -1 3 299.334 1.181 10 0 CDAEHM Cc1ccc(-n2cccn2)cc1NC(=O)c1cnn[n-]1 ZINC000191428301 373487778 /nfs/dbraw/zinc/48/77/78/373487778.db2.gz GBXLOJAYWMKESY-UHFFFAOYSA-N -1 3 268.280 1.551 10 0 CDAEHM Cc1ccc(-n2cccn2)cc1NC(=O)c1c[n-]nn1 ZINC000191428301 373487785 /nfs/dbraw/zinc/48/77/85/373487785.db2.gz GBXLOJAYWMKESY-UHFFFAOYSA-N -1 3 268.280 1.551 10 0 CDAEHM Cc1ccc(-n2cccn2)cc1NC(=O)c1cn[n-]n1 ZINC000191428301 373487793 /nfs/dbraw/zinc/48/77/93/373487793.db2.gz GBXLOJAYWMKESY-UHFFFAOYSA-N -1 3 268.280 1.551 10 0 CDAEHM COC(=O)c1cc(I)cc(F)c1[O-] ZINC000575714344 373968713 /nfs/dbraw/zinc/96/87/13/373968713.db2.gz SKCFOEMFWMSEFU-UHFFFAOYSA-N -1 3 296.035 1.923 10 0 CDAEHM Cc1cncc(CN2CCC(c3nc(=O)[n-][nH]3)CC2)c1 ZINC000289506105 197382050 /nfs/dbraw/zinc/38/20/50/197382050.db2.gz URBFYYYJFQZJLB-UHFFFAOYSA-N -1 3 273.340 1.181 10 0 CDAEHM COC(=O)Cc1ccc(Br)c([O-])c1N ZINC000575730763 374157663 /nfs/dbraw/zinc/15/76/63/374157663.db2.gz RSLCCPMOFDYGBP-UHFFFAOYSA-N -1 3 260.087 1.452 10 0 CDAEHM Cc1c(N=c2ncnc3[nH][n-]cc2-3)cccc1N(C)C ZINC000342793557 374486889 /nfs/dbraw/zinc/48/68/89/374486889.db2.gz VNRSIYZMAPWNTE-UHFFFAOYSA-N -1 3 268.324 1.844 10 0 CDAEHM CC[C@H]1CCCCN1C(=O)CN(C)CCCC(=O)[O-] ZINC000042717336 374859230 /nfs/dbraw/zinc/85/92/30/374859230.db2.gz UBUITKRDHUKZEG-LBPRGKRZSA-N -1 3 270.373 1.574 10 0 CDAEHM Oc1[n-]c(N2CC[C@]3(C2)CCCOC3)nc2nncc1-2 ZINC000343164587 374959992 /nfs/dbraw/zinc/95/99/92/374959992.db2.gz WUCYQCXQHBARKM-ZDUSSCGKSA-N -1 3 275.312 1.065 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCOCC2)o1 ZINC000334323799 374902755 /nfs/dbraw/zinc/90/27/55/374902755.db2.gz ZOJNFAQICQLOKT-SNVBAGLBSA-N -1 3 259.327 1.435 10 0 CDAEHM c1cnc2cc(CNC3(c4nn[n-]n4)CCCC3)ccc2n1 ZINC000638842765 375050268 /nfs/dbraw/zinc/05/02/68/375050268.db2.gz BDINLTKQWKKOOK-UHFFFAOYSA-N -1 3 295.350 1.702 10 0 CDAEHM c1cnc2cc(CNC3(c4nnn[n-]4)CCCC3)ccc2n1 ZINC000638842765 375050270 /nfs/dbraw/zinc/05/02/70/375050270.db2.gz BDINLTKQWKKOOK-UHFFFAOYSA-N -1 3 295.350 1.702 10 0 CDAEHM CCc1ccc(S(=O)(=O)[N-]c2ccc(=O)n(C)c2)s1 ZINC000048961773 375382498 /nfs/dbraw/zinc/38/24/98/375382498.db2.gz PEFCFRKVTGBKQD-UHFFFAOYSA-N -1 3 298.389 1.810 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCC[C@]1(C)CO ZINC000305114567 375553894 /nfs/dbraw/zinc/55/38/94/375553894.db2.gz JOZYQROQXMKPQF-CMPLNLGQSA-N -1 3 288.369 1.121 10 0 CDAEHM O=C1[N-]C(=O)[C@H](c2sccc2Br)N1 ZINC000228001570 375664961 /nfs/dbraw/zinc/66/49/61/375664961.db2.gz AYTFYMVYEFRVLT-BYPYZUCNSA-N -1 3 261.100 1.391 10 0 CDAEHM CC1(CC(F)F)CN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000627916216 375857825 /nfs/dbraw/zinc/85/78/25/375857825.db2.gz VNECLAZVAWETJL-UHFFFAOYSA-N -1 3 257.240 1.300 10 0 CDAEHM CC(C)[C@@H](CO)N=c1cc(-c2ccccc2)n2[n-]cnc2n1 ZINC000631152045 375976562 /nfs/dbraw/zinc/97/65/62/375976562.db2.gz FNXXFDVRALUVDD-CYBMUJFWSA-N -1 3 297.362 1.642 10 0 CDAEHM C[C@@]1(O)C[C@H](N=c2cc(-c3ccccc3)n3[n-]cnc3n2)C1 ZINC000631312396 376091180 /nfs/dbraw/zinc/09/11/80/376091180.db2.gz FXCKNSXKLDQKRT-DRQUAOQDSA-N -1 3 295.346 1.539 10 0 CDAEHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2c[nH]c(=O)s2)C1 ZINC000631789420 376596951 /nfs/dbraw/zinc/59/69/51/376596951.db2.gz PGQARESZHVICKF-BDAKNGLRSA-N -1 3 290.410 1.953 10 0 CDAEHM O=c1[nH]cc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2)s1 ZINC000631796119 376607161 /nfs/dbraw/zinc/60/71/61/376607161.db2.gz RADQDTGTPLKVLI-ZJUUUORDSA-N -1 3 296.373 1.683 10 0 CDAEHM 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CDAEHM COc1n[n-]c(NC(=O)[C@@H](C)c2cccc(OC)c2)n1 ZINC000182994538 148281750 /nfs/dbraw/zinc/28/17/50/148281750.db2.gz FZHHWXFNQKCXPB-QMMMGPOBSA-N -1 3 276.296 1.564 10 0 CDAEHM CCc1nnsc1C(=O)NCc1ncccc1[O-] ZINC000352515169 155241411 /nfs/dbraw/zinc/24/14/11/155241411.db2.gz FIANWCXLFBAIIZ-UHFFFAOYSA-N -1 3 264.310 1.131 10 0 CDAEHM CCN1CN(C(=O)c2ccc(C(C)C)cc2[O-])CC1=O ZINC000334570528 149692828 /nfs/dbraw/zinc/69/28/28/149692828.db2.gz PHNCKDYVJCYCAU-UHFFFAOYSA-N -1 3 276.336 1.777 10 0 CDAEHM CN(C(=O)c1cc(F)ccc1[O-])[C@H]1CCN(C2CC2)C1 ZINC000335844453 151067879 /nfs/dbraw/zinc/06/78/79/151067879.db2.gz XOZOHJYFPWJHPS-LBPRGKRZSA-N -1 3 278.327 1.840 10 0 CDAEHM COC(=O)c1cc([N-]S(C)(=O)=O)cc2[nH]ccc21 ZINC000335989138 151177468 /nfs/dbraw/zinc/17/74/68/151177468.db2.gz OTFZPRFWATUXQB-UHFFFAOYSA-N -1 3 268.294 1.326 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2C[C@H]3CCC[C@@H]32)cs1 ZINC000336108081 151274157 /nfs/dbraw/zinc/27/41/57/151274157.db2.gz AVURHYBEPAPUGU-SCZZXKLOSA-N -1 3 251.355 1.621 10 0 CDAEHM C[C@H](CO)[C@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345977375 153014523 /nfs/dbraw/zinc/01/45/23/153014523.db2.gz YTLWVCWFJSDGDK-MNOVXSKESA-N -1 3 283.343 1.987 10 0 CDAEHM C[C@@H](CO)[C@@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345977403 153015026 /nfs/dbraw/zinc/01/50/26/153015026.db2.gz YTLWVCWFJSDGDK-WDEREUQCSA-N -1 3 283.343 1.987 10 0 CDAEHM CCOC(=O)c1cc(C(=O)[N-]c2cncc(F)c2)on1 ZINC000346155759 153075276 /nfs/dbraw/zinc/07/52/76/153075276.db2.gz RKGQKXMLCMTUBF-UHFFFAOYSA-N -1 3 279.227 1.638 10 0 CDAEHM O=C(NCc1ncccc1[O-])N[C@@H]1CCc2c1cccc2O ZINC000349495984 154124256 /nfs/dbraw/zinc/12/42/56/154124256.db2.gz WBRULCUHQAKLPX-GFCCVEGCSA-N -1 3 299.330 1.980 10 0 CDAEHM CC[C@H](CSC)NC(=O)NCc1ncccc1[O-] ZINC000349799687 154220671 /nfs/dbraw/zinc/22/06/71/154220671.db2.gz HYGBMTWNORUEFU-SECBINFHSA-N -1 3 269.370 1.728 10 0 CDAEHM Cn1cc(C[C@@H]2CCC[C@H]2N=c2ncnc3[nH][n-]cc2-3)cn1 ZINC000664443049 413386163 /nfs/dbraw/zinc/38/61/63/413386163.db2.gz APMSOTPHVXWVFT-WCQYABFASA-N -1 3 297.366 1.283 10 0 CDAEHM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1n[n-]c(OC)n1 ZINC000356600423 287026262 /nfs/dbraw/zinc/02/62/62/287026262.db2.gz STCBFLXUJMYNDM-BDAKNGLRSA-N -1 3 252.318 1.968 10 0 CDAEHM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1nnc(OC)[n-]1 ZINC000356600423 287026267 /nfs/dbraw/zinc/02/62/67/287026267.db2.gz STCBFLXUJMYNDM-BDAKNGLRSA-N -1 3 252.318 1.968 10 0 CDAEHM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1nc(OC)n[n-]1 ZINC000356600423 287026270 /nfs/dbraw/zinc/02/62/70/287026270.db2.gz STCBFLXUJMYNDM-BDAKNGLRSA-N -1 3 252.318 1.968 10 0 CDAEHM O=C(Nc1c[nH]c(=O)[n-]c1=O)c1cc2ccccc2o1 ZINC000008907000 170358370 /nfs/dbraw/zinc/35/83/70/170358370.db2.gz BVLMNAFRTNLIND-UHFFFAOYSA-N -1 3 271.232 1.062 10 0 CDAEHM O=C(Nc1cccc(-c2nnn[n-]2)c1)NC1CCCC1 ZINC000020514147 171231595 /nfs/dbraw/zinc/23/15/95/171231595.db2.gz MCHWVDVPAXISIN-UHFFFAOYSA-N -1 3 272.312 1.931 10 0 CDAEHM O=C(Nc1cccc(-c2nn[n-]n2)c1)NC1CCCC1 ZINC000020514147 171231596 /nfs/dbraw/zinc/23/15/96/171231596.db2.gz MCHWVDVPAXISIN-UHFFFAOYSA-N -1 3 272.312 1.931 10 0 CDAEHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NN)nc1 ZINC000021024134 171290961 /nfs/dbraw/zinc/29/09/61/171290961.db2.gz IJQUITYNINWBPI-UHFFFAOYSA-N -1 3 292.364 1.785 10 0 CDAEHM CC[C@H](CO)[N-]S(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000035599270 172287993 /nfs/dbraw/zinc/28/79/93/172287993.db2.gz WDUDPIBPVPOKMU-SSDOTTSWSA-N -1 3 296.751 1.111 10 0 CDAEHM O=c1[n-][nH]c(=O)c2c(NC3CCSCC3)cccc12 ZINC000035651932 172328282 /nfs/dbraw/zinc/32/82/82/172328282.db2.gz PBRJSADWTVAQET-UHFFFAOYSA-N -1 3 277.349 1.524 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](C)c1ccccn1 ZINC000657041004 413871196 /nfs/dbraw/zinc/87/11/96/413871196.db2.gz YWAAZSPJRIHHPW-VIFPVBQESA-N -1 3 295.364 1.768 10 0 CDAEHM CCC1CCN(S(=O)(=O)NCc2ncccc2[O-])CC1 ZINC000656977365 413825178 /nfs/dbraw/zinc/82/51/78/413825178.db2.gz RRZYVGNPJCCARU-UHFFFAOYSA-N -1 3 299.396 1.244 10 0 CDAEHM CC1(C)CC[C@@H](C(=O)[N-]c2nncn2C2CC2)O1 ZINC000285566712 196328840 /nfs/dbraw/zinc/32/88/40/196328840.db2.gz ACAFRBGXKPNGAM-VIFPVBQESA-N -1 3 250.302 1.509 10 0 CDAEHM C[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@@H](C)C1=O ZINC000661540078 414156361 /nfs/dbraw/zinc/15/63/61/414156361.db2.gz WTWCERZZMDEIMJ-NXEZZACHSA-N -1 3 275.352 1.717 10 0 CDAEHM CN(C)CCOc1cc(C(=O)[O-])c2ccccc2n1 ZINC000040239855 174212885 /nfs/dbraw/zinc/21/28/85/174212885.db2.gz KDKOPHXRHRQJTM-UHFFFAOYSA-N -1 3 260.293 1.873 10 0 CDAEHM NC(=S)C1(NC(=O)c2ccc([O-])cc2)CCCC1 ZINC000040354397 174245509 /nfs/dbraw/zinc/24/55/09/174245509.db2.gz XRGBTCPIIYINAY-UHFFFAOYSA-N -1 3 264.350 1.721 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000040463776 174272575 /nfs/dbraw/zinc/27/25/75/174272575.db2.gz RHPSAZHXFFFYQC-SBMIAAHKSA-N -1 3 284.381 1.754 10 0 CDAEHM CCC[C@](C)(N)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000040470793 174279405 /nfs/dbraw/zinc/27/94/05/174279405.db2.gz ZVBFWTRRNCDHMO-RISCZKNCSA-N -1 3 264.325 1.446 10 0 CDAEHM CCCC[C@H](N)C(=O)Nc1ccccc1C(=O)[O-] ZINC000040472841 174280674 /nfs/dbraw/zinc/28/06/74/174280674.db2.gz WJQDYMYNDORHGO-JTQLQIEISA-N -1 3 250.298 1.841 10 0 CDAEHM Cc1ccccc1N(CCC(=O)[O-])C(=O)[C@@H]1CCCCN1 ZINC000040483933 174287322 /nfs/dbraw/zinc/28/73/22/174287322.db2.gz OCIVLNOSYWTCRD-ZDUSSCGKSA-N -1 3 290.363 1.945 10 0 CDAEHM CCCC[C@H](N)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000040484159 174287673 /nfs/dbraw/zinc/28/76/73/174287673.db2.gz ZNLQKCHDUZILQI-LBPRGKRZSA-N -1 3 264.325 1.622 10 0 CDAEHM CC(C)NCC(=O)N(CCCC(=O)[O-])c1ccccc1 ZINC000040484209 174287720 /nfs/dbraw/zinc/28/77/20/174287720.db2.gz YFBRRYOXNRERPJ-UHFFFAOYSA-N -1 3 278.352 1.882 10 0 CDAEHM CC(C)C[C@@H](N)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000040486646 174288947 /nfs/dbraw/zinc/28/89/47/174288947.db2.gz DXALETPFDOWOOS-NEPJUHHUSA-N -1 3 270.373 1.510 10 0 CDAEHM CC[C@@H](C)[C@H](NC(=O)N(C)C1CCN(C)CC1)C(=O)[O-] ZINC000040549456 174326404 /nfs/dbraw/zinc/32/64/04/174326404.db2.gz LNFXBHCPSFDZQA-PWSUYJOCSA-N -1 3 285.388 1.221 10 0 CDAEHM CC[C@H](C)[C@H](NC(=O)NC[C@@H]1CCCN1CC)C(=O)[O-] ZINC000040552818 174329565 /nfs/dbraw/zinc/32/95/65/174329565.db2.gz MXAHWBBYWZSHJU-SRVKXCTJSA-N -1 3 285.388 1.269 10 0 CDAEHM CNCc1ccccc1NC(=O)NCCC(=O)[O-] ZINC000042430975 174730333 /nfs/dbraw/zinc/73/03/33/174730333.db2.gz CAXCTCVIVXRXRB-UHFFFAOYSA-N -1 3 251.286 1.002 10 0 CDAEHM Cc1cc(=O)[n-]c(S[C@@H](c2ccccn2)[C@@H](C)N)n1 ZINC000043344595 175016470 /nfs/dbraw/zinc/01/64/70/175016470.db2.gz VVOFOAABTMXWMA-BXKDBHETSA-N -1 3 276.365 1.654 10 0 CDAEHM CCN(CC)CCc1ncc(C(=O)[O-])c(C2CC2)n1 ZINC000043558462 175064937 /nfs/dbraw/zinc/06/49/37/175064937.db2.gz GGGRKSUCTCDFHH-UHFFFAOYSA-N -1 3 263.341 1.937 10 0 CDAEHM C[C@@H](C(=O)NC1(C(=O)[O-])CCCC1)N1[C@@H](C)CC[C@@H]1C ZINC000043559557 175065753 /nfs/dbraw/zinc/06/57/53/175065753.db2.gz MCBMLYNYXASXOF-SRVKXCTJSA-N -1 3 282.384 1.761 10 0 CDAEHM CCC[C@@](C)(N)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000043586276 175071368 /nfs/dbraw/zinc/07/13/68/175071368.db2.gz QHVFPCHGAUALSJ-BXUZGUMPSA-N -1 3 270.373 1.607 10 0 CDAEHM CCCNCc1cc2c(cc1O[C@H](C)C(=O)[O-])OCO2 ZINC000043625617 175081925 /nfs/dbraw/zinc/08/19/25/175081925.db2.gz RIDOVTJKIPPGSS-SECBINFHSA-N -1 3 281.308 1.767 10 0 CDAEHM CCN1CCC[C@H](n2cc(C(=O)[O-])ccc2=O)C1 ZINC000043672480 175087409 /nfs/dbraw/zinc/08/74/09/175087409.db2.gz VDJVCUVIUALKDP-NSHDSACASA-N -1 3 250.298 1.203 10 0 CDAEHM CC(C)N(CCC(=O)[O-])C(=O)NC[C@H]1CCCN(C)C1 ZINC000044560051 175204338 /nfs/dbraw/zinc/20/43/38/175204338.db2.gz RKLQUBPUJOHVTF-GFCCVEGCSA-N -1 3 285.388 1.223 10 0 CDAEHM CN1CCCC[C@@H]1CNC(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000044565440 175208345 /nfs/dbraw/zinc/20/83/45/175208345.db2.gz WZUIYLOLQPZKEY-CHWSQXEVSA-N -1 3 297.399 1.510 10 0 CDAEHM CC(C)C[C@@H](NC(=O)NC[C@@H]1CCCCN1C)C(=O)[O-] ZINC000044565511 175208673 /nfs/dbraw/zinc/20/86/73/175208673.db2.gz SMBWSGASTXZVGF-NWDGAFQWSA-N -1 3 285.388 1.269 10 0 CDAEHM Cc1nccn1CCN1CCc2sccc2[C@@H]1C(=O)[O-] ZINC000044592457 175213873 /nfs/dbraw/zinc/21/38/73/175213873.db2.gz CMWKPRCRDSVYRR-CYBMUJFWSA-N -1 3 291.376 1.937 10 0 CDAEHM CC[C@H](C(=O)[O-])N(C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000044646169 175222648 /nfs/dbraw/zinc/22/26/48/175222648.db2.gz GOPVZANNIHPYSE-NWDGAFQWSA-N -1 3 287.404 1.467 10 0 CDAEHM CCCNCC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000044650867 175224996 /nfs/dbraw/zinc/22/49/96/175224996.db2.gz OMLGPCKLDDBVBZ-UHFFFAOYSA-N -1 3 250.298 1.252 10 0 CDAEHM CCN(CC(N)=S)C(=O)c1ccc(C)cc1[O-] ZINC000045062060 175298412 /nfs/dbraw/zinc/29/84/12/175298412.db2.gz AJSCHUGNVLZJHD-UHFFFAOYSA-N -1 3 252.339 1.449 10 0 CDAEHM CCOC(=O)c1nc2ncc(Br)cc2[n-]1 ZINC000071009280 176021128 /nfs/dbraw/zinc/02/11/28/176021128.db2.gz NJZUANIECDYRNO-UHFFFAOYSA-N -1 3 270.086 1.897 10 0 CDAEHM CCOC(=O)c1nc2cc(Br)cnc2[n-]1 ZINC000071009280 176021129 /nfs/dbraw/zinc/02/11/29/176021129.db2.gz NJZUANIECDYRNO-UHFFFAOYSA-N -1 3 270.086 1.897 10 0 CDAEHM O=S1(=O)CC[C@H](n2[n-]c(C3CC3)cc2=S)C1 ZINC000071006848 176021145 /nfs/dbraw/zinc/02/11/45/176021145.db2.gz IXGMJLBFWWQMGK-QMMMGPOBSA-N -1 3 258.368 1.409 10 0 CDAEHM C/C(C(=O)[O-])=C(\C)C(=O)N[C@@H](C)CN1CCCC1 ZINC000071165680 176048125 /nfs/dbraw/zinc/04/81/25/176048125.db2.gz YZRRJYNMGZTSOV-BLUPIXKYSA-N -1 3 254.330 1.008 10 0 CDAEHM O=C([O-])C1CN(CCC(=O)Nc2ccccc2Cl)C1 ZINC000071173824 176053845 /nfs/dbraw/zinc/05/38/45/176053845.db2.gz XUMRSZQPEBNEOF-UHFFFAOYSA-N -1 3 282.727 1.685 10 0 CDAEHM Cc1ccncc1[N-]S(=O)(=O)c1ccc(F)c(CN)c1 ZINC000071414080 176159269 /nfs/dbraw/zinc/15/92/69/176159269.db2.gz ZIWBWFVKRZDRQE-UHFFFAOYSA-N -1 3 295.339 1.789 10 0 CDAEHM N[C@H](C(=O)[O-])c1ccc(F)c(I)c1 ZINC000072197051 176339537 /nfs/dbraw/zinc/33/95/37/176339537.db2.gz IOPKMPHJWYOONR-ZETCQYMHSA-N -1 3 295.051 1.515 10 0 CDAEHM O=C(c1[n-]c(=O)nc2ccccc21)N1CCCCC1 ZINC000074743452 176607251 /nfs/dbraw/zinc/60/72/51/176607251.db2.gz DEXJDZWOFMBGES-UHFFFAOYSA-N -1 3 257.293 1.962 10 0 CDAEHM CCCCS(=O)(=O)[N-][C@@H](C(=O)OC)C(C)(C)C ZINC000078805979 177390640 /nfs/dbraw/zinc/39/06/40/177390640.db2.gz ZKXNZUMMOVLAHT-VIFPVBQESA-N -1 3 265.375 1.294 10 0 CDAEHM O=C(NCCc1c[nH]cn1)c1cc(Cl)ccc1[O-] ZINC000078811774 177391720 /nfs/dbraw/zinc/39/17/20/177391720.db2.gz DDJDFPAAYYTAHY-UHFFFAOYSA-N -1 3 265.700 1.741 10 0 CDAEHM O=C(NCCc1cnc[nH]1)c1cc(Cl)ccc1[O-] ZINC000078811774 177391722 /nfs/dbraw/zinc/39/17/22/177391722.db2.gz DDJDFPAAYYTAHY-UHFFFAOYSA-N -1 3 265.700 1.741 10 0 CDAEHM COCC[C@@H](COC)NC(=O)c1cccc(OC)c1[O-] ZINC000313589015 260304138 /nfs/dbraw/zinc/30/41/38/260304138.db2.gz UOFCQBULGCKZKH-JTQLQIEISA-N -1 3 283.324 1.182 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2CC(F)(F)C[C@H]2CO)c1 ZINC000368418003 423796577 /nfs/dbraw/zinc/79/65/77/423796577.db2.gz CEYYGFKRRYKLIS-VIFPVBQESA-N -1 3 271.263 1.543 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2CC(F)(F)C[C@@H]2CO)c1 ZINC000368418002 423796751 /nfs/dbraw/zinc/79/67/51/423796751.db2.gz CEYYGFKRRYKLIS-SECBINFHSA-N -1 3 271.263 1.543 10 0 CDAEHM COCC1(CNC(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000655252879 424169032 /nfs/dbraw/zinc/16/90/32/424169032.db2.gz 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/nfs/dbraw/zinc/93/55/27/289935527.db2.gz GQMVGSVREZZQLS-QMMMGPOBSA-N -1 3 273.283 1.615 10 0 CDAEHM CC(C)C[C@H](CNC(=O)NC[C@@H](C)N(C)C1CC1)C(=O)[O-] ZINC000220068127 279153694 /nfs/dbraw/zinc/15/36/94/279153694.db2.gz PDCCVIZWIDKFCC-VXGBXAGGSA-N -1 3 299.415 1.515 10 0 CDAEHM COc1cccc(C(=O)Nc2ccnc3ccnn32)c1[O-] ZINC000108719331 279309658 /nfs/dbraw/zinc/30/96/58/279309658.db2.gz BEFPRVGNTKETJD-UHFFFAOYSA-N -1 3 284.275 1.696 10 0 CDAEHM CCc1cc(=O)[n-]c(CSCc2ccnc(OC)n2)n1 ZINC000521008951 281065593 /nfs/dbraw/zinc/06/55/93/281065593.db2.gz AXLPBMHTQYOYPB-UHFFFAOYSA-N -1 3 292.364 1.977 10 0 CDAEHM C[C@@H]1C[C@@H](C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)CCO1 ZINC000527499141 281145292 /nfs/dbraw/zinc/14/52/92/281145292.db2.gz LVRALKSVTGZEIO-SCVCMEIPSA-N -1 3 279.340 1.437 10 0 CDAEHM Cc1ccc(C(=O)N[C@@]23C[C@@H]2COC3(C)C)c([O-])c1 ZINC000529793020 281363469 /nfs/dbraw/zinc/36/34/69/281363469.db2.gz NQARYUWLPODUTK-BMIGLBTASA-N -1 3 261.321 1.998 10 0 CDAEHM 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CCC/C=C/[C@@H](O)C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000911812168 629544312 /nfs/dbraw/zinc/54/43/12/629544312.db2.gz ZTGIQMHDJGBPIT-WSKFYRRCSA-N -1 3 293.367 1.559 10 0 CDAEHM Cc1ccc(O)cc1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911855283 629592752 /nfs/dbraw/zinc/59/27/52/629592752.db2.gz QNDXLAXFVBRXMS-JTQLQIEISA-N -1 3 287.319 1.759 10 0 CDAEHM O=C(NCCCc1c[n-][nH]c1=O)C1(C2CC2)CCC1 ZINC000912470851 630031027 /nfs/dbraw/zinc/03/10/27/630031027.db2.gz MCUKIEZYGLVOFQ-JTQLQIEISA-N -1 3 263.341 1.195 10 0 CDAEHM Cc1nc(C(C)(C)[N-]S(=O)(=O)CC2(F)CC2)no1 ZINC000914036948 630987304 /nfs/dbraw/zinc/98/73/04/630987304.db2.gz LZWXQOXGEIKNDL-UHFFFAOYSA-N -1 3 277.321 1.035 10 0 CDAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]Cc1nc2ccccc2o1 ZINC000915771967 631812741 /nfs/dbraw/zinc/81/27/41/631812741.db2.gz MMIHKDPVRDZVCF-JOYOIKCWSA-N -1 3 296.348 1.425 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)c2ncc[nH]2)o1 ZINC000919412733 632583548 /nfs/dbraw/zinc/58/35/48/632583548.db2.gz KWXSNYDMQSSCRK-UHFFFAOYSA-N -1 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Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC001647324907 1168561537 /nfs/dbraw/zinc/56/15/37/1168561537.db2.gz DQLKEWHVBRYMRB-ORMVGFHCSA-N -1 3 293.367 1.351 10 0 CDAEHM CC(=O)c1cccc(NC(=O)[C@H](O)c2cccnc2)c1[O-] ZINC001569928582 1170040275 /nfs/dbraw/zinc/04/02/75/1170040275.db2.gz ZRXXSSJVWFTBPM-CYBMUJFWSA-N -1 3 286.287 1.662 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)c2ccc([O-])cn2)n[nH]1 ZINC001570770020 1170276968 /nfs/dbraw/zinc/27/69/68/1170276968.db2.gz RAZDUBUQDNYXJN-UHFFFAOYSA-N -1 3 284.279 1.163 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNc1c(F)c(F)nc(F)c1F ZINC001650761954 1171256629 /nfs/dbraw/zinc/25/66/29/1171256629.db2.gz HVMZXGUYUBEELC-YFKPBYRVSA-N -1 3 290.220 1.562 10 0 CDAEHM O=C(NN=c1cccn[n-]1)N[C@@H]1CCc2ccccc21 ZINC000077341305 1172360346 /nfs/dbraw/zinc/36/03/46/1172360346.db2.gz ZPCKCJBONWQYQL-GFCCVEGCSA-N -1 3 269.308 1.790 10 0 CDAEHM Cn1cnc(C=CC(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC001584910746 1172863929 /nfs/dbraw/zinc/86/39/29/1172863929.db2.gz 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ZINC000720450361 712454389 /nfs/dbraw/zinc/45/43/89/712454389.db2.gz BDKHMNZWTZHTRB-LBPRGKRZSA-N -1 3 279.336 1.874 10 0 CDAEHM O=C([N-]OCCC1CC1)[C@H]1CCc2nnc(C3CC3)n2C1 ZINC000817412959 712475740 /nfs/dbraw/zinc/47/57/40/712475740.db2.gz JJZPURXBMYRFTI-LBPRGKRZSA-N -1 3 290.367 1.566 10 0 CDAEHM COc1ccccc1C(F)(F)C(=O)[N-][C@H]1C[C@H](C)OC1=O ZINC000854471283 712485405 /nfs/dbraw/zinc/48/54/05/712485405.db2.gz VGIXVBQPUIPUBP-WPRPVWTQSA-N -1 3 299.273 1.607 10 0 CDAEHM O=C(C[C@H]1CCCO1)[N-]OCCCC(F)(F)F ZINC000871211268 712490957 /nfs/dbraw/zinc/49/09/57/712490957.db2.gz JRYBNGUDFWOULE-MRVPVSSYSA-N -1 3 255.236 1.946 10 0 CDAEHM CO[C@@H](CSc1nc2nncc-2c(O)[n-]1)[C@H]1CCOC1 ZINC000853648667 712490960 /nfs/dbraw/zinc/49/09/60/712490960.db2.gz NFBHBXXUCVAXEC-CBAPKCEASA-N -1 3 296.352 1.202 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)C=C[C@H]2CCCO2)[n-]n1 ZINC000819469428 712501974 /nfs/dbraw/zinc/50/19/74/712501974.db2.gz GCKXKECJTHIKGY-SSJHQANKSA-N -1 3 279.296 1.260 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)/C=C\[C@H]2CCCO2)n[n-]1 ZINC000819469428 712501976 /nfs/dbraw/zinc/50/19/76/712501976.db2.gz GCKXKECJTHIKGY-SSJHQANKSA-N -1 3 279.296 1.260 10 0 CDAEHM O=S(=O)([N-]CCC1=CCCC1)c1c[nH]nc1Cl ZINC000830935771 712521321 /nfs/dbraw/zinc/52/13/21/712521321.db2.gz YTOXYNFZOHZEQA-UHFFFAOYSA-N -1 3 275.761 1.842 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCC1=CCCC1 ZINC000867003718 712682739 /nfs/dbraw/zinc/68/27/39/712682739.db2.gz ICXJMSSHDVTCAS-INIZCTEOSA-N -1 3 280.415 1.439 10 0 CDAEHM CC(C)c1noc2ncc(C(=O)[N-]n3ccccc3=O)cc21 ZINC000777783402 712693127 /nfs/dbraw/zinc/69/31/27/712693127.db2.gz KIPIJPDXLJQMRJ-UHFFFAOYSA-N -1 3 298.302 1.892 10 0 CDAEHM O=C([N-]OCC1CCC1)[C@H]1CCc2nnc(C3CC3)n2C1 ZINC000856351806 712695621 /nfs/dbraw/zinc/69/56/21/712695621.db2.gz OMYFYMYDCPGYHR-LBPRGKRZSA-N -1 3 290.367 1.566 10 0 CDAEHM CCO[N-]C(=O)Cc1c(C)cc(N(C)C)cc1C ZINC000864688503 1164572718 /nfs/dbraw/zinc/57/27/18/1164572718.db2.gz DBPGEJJVRQAPST-UHFFFAOYSA-N -1 3 250.342 1.980 10 0 CDAEHM CCC=C(F)C(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC000867769766 1164864243 /nfs/dbraw/zinc/86/42/43/1164864243.db2.gz BDYJIPLYGHZEAU-ALCCZGGFSA-N -1 3 255.249 1.788 10 0 CDAEHM CC=C[C@H](O)C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001631301195 1166265008 /nfs/dbraw/zinc/26/50/08/1166265008.db2.gz ORHKEGILFNTRSK-ATPLWMGHSA-N -1 3 289.291 1.225 10 0 CDAEHM COc1c(F)cc(C(=O)Nc2ncccc2[O-])c(N)c1F ZINC001633853095 1166454996 /nfs/dbraw/zinc/45/49/96/1166454996.db2.gz RLPPQRXOIJSPNH-UHFFFAOYSA-N -1 3 295.245 1.909 10 0 CDAEHM COCc1nsc([N-]C(=O)c2cncc3[nH]cnc32)n1 ZINC001641416252 1167104931 /nfs/dbraw/zinc/10/49/31/1167104931.db2.gz VNXBNGKEIZLZBI-UHFFFAOYSA-N -1 3 290.308 1.208 10 0 CDAEHM CCOc1nnc(NC(=O)C(=Cc2ccccc2)OC)[n-]1 ZINC001174745989 913330080 /nfs/dbraw/zinc/33/00/80/913330080.db2.gz XQXFNGCNZLXJJM-LUAWRHEFSA-N -1 3 288.307 1.829 10 0 CDAEHM CCOc1nc(NC(=O)C(=Cc2ccccc2)OC)n[n-]1 ZINC001174745989 913330094 /nfs/dbraw/zinc/33/00/94/913330094.db2.gz XQXFNGCNZLXJJM-LUAWRHEFSA-N -1 3 288.307 1.829 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CDAEHM CCOc1n[n-]c(NC(=O)CCc2cccnc2)n1 ZINC000228789600 911973197 /nfs/dbraw/zinc/97/31/97/911973197.db2.gz IOONLNLBBARVCW-UHFFFAOYSA-N -1 3 261.285 1.170 10 0 CDAEHM CCOc1nnc(NC(=O)COc2ccccc2Cl)[n-]1 ZINC000228782638 911973745 /nfs/dbraw/zinc/97/37/45/911973745.db2.gz KUKVTRPDOAZJSB-UHFFFAOYSA-N -1 3 296.714 1.874 10 0 CDAEHM CCOc1nc(NC(=O)COc2ccccc2Cl)n[n-]1 ZINC000228782638 911973761 /nfs/dbraw/zinc/97/37/61/911973761.db2.gz KUKVTRPDOAZJSB-UHFFFAOYSA-N -1 3 296.714 1.874 10 0 CDAEHM CCOc1n[n-]c(NC(=O)COc2ccccc2Cl)n1 ZINC000228782638 911973770 /nfs/dbraw/zinc/97/37/70/911973770.db2.gz KUKVTRPDOAZJSB-UHFFFAOYSA-N -1 3 296.714 1.874 10 0 CDAEHM CC[C@@H](C)CC(=O)NC[C@H](NC(=O)c1cn[n-]n1)C(C)C ZINC001409856088 912055984 /nfs/dbraw/zinc/05/59/84/912055984.db2.gz BKOUEWKLQKFIGO-MNOVXSKESA-N -1 3 295.387 1.112 10 0 CDAEHM CO[C@@H]1COCC[C@H]1CC(=O)[N-]OC1CCCCC1 ZINC000829052943 936400902 /nfs/dbraw/zinc/40/09/02/936400902.db2.gz OYYZGXOSEXUMQG-WCQYABFASA-N -1 3 271.357 1.809 10 0 CDAEHM 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277.320 1.698 10 0 CDAEHM CCOc1nnc(NC(=O)[C@@H]2CCCCS2)[n-]1 ZINC000228777828 936912171 /nfs/dbraw/zinc/91/21/71/936912171.db2.gz DLTWBLLLMVFNAG-ZETCQYMHSA-N -1 3 256.331 1.428 10 0 CDAEHM CCOc1nc(NC(=O)[C@@H]2CCCCS2)n[n-]1 ZINC000228777828 936912172 /nfs/dbraw/zinc/91/21/72/936912172.db2.gz DLTWBLLLMVFNAG-ZETCQYMHSA-N -1 3 256.331 1.428 10 0 CDAEHM CCOc1n[n-]c(NC(=O)[C@@H]2CCCCS2)n1 ZINC000228777828 936912174 /nfs/dbraw/zinc/91/21/74/936912174.db2.gz DLTWBLLLMVFNAG-ZETCQYMHSA-N -1 3 256.331 1.428 10 0 CDAEHM CCN1CC[C@@H]1CNC(=O)c1ccc(F)cc1[O-] ZINC000712287242 927262123 /nfs/dbraw/zinc/26/21/23/927262123.db2.gz AKJQZZKLMMSYTF-SNVBAGLBSA-N -1 3 252.289 1.355 10 0 CDAEHM C[C@@H](NC(=O)C1(F)CC1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000854453622 928208720 /nfs/dbraw/zinc/20/87/20/928208720.db2.gz GANKOGLDUYHNGX-RKDXNWHRSA-N -1 3 295.314 1.369 10 0 CDAEHM O=C(C[C@H]1CCC(F)(F)C1)NCCCc1cc(=O)[nH][n-]1 ZINC000854486069 928215458 /nfs/dbraw/zinc/21/54/58/928215458.db2.gz LNQASLVBSUJIGT-SECBINFHSA-N 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KPXASXNBQCXDHC-SCSAIBSYSA-N -1 3 293.179 1.948 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)[C@@H]1C[C@H]1C(F)(F)F ZINC000880513787 929695956 /nfs/dbraw/zinc/69/59/56/929695956.db2.gz PVGLGNOHSRIGGP-PHDIDXHHSA-N -1 3 293.270 1.286 10 0 CDAEHM CCC[C@H](CC)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001136653813 931232155 /nfs/dbraw/zinc/23/21/55/931232155.db2.gz IRDMRVWKSVDRKB-QWRGUYRKSA-N -1 3 253.346 1.441 10 0 CDAEHM Cn1cnc(S(=O)(=O)[N-]CC[C@]2(C)C[C@@]2(F)Cl)c1 ZINC000845984772 931944276 /nfs/dbraw/zinc/94/42/76/931944276.db2.gz YTUUVVLINHUAOL-ZJUUUORDSA-N -1 3 295.767 1.403 10 0 CDAEHM CCc1nc[nH]c1C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001412541164 932480689 /nfs/dbraw/zinc/48/06/89/932480689.db2.gz LVHXKUWIOQYMIP-UHFFFAOYSA-N -1 3 299.334 1.501 10 0 CDAEHM COC[C@@H]1CCCN(Cc2cccc(C(=O)[O-])n2)C1 ZINC000234726958 932584446 /nfs/dbraw/zinc/58/44/46/932584446.db2.gz QCYSLOSFAZQSKQ-LLVKDONJSA-N -1 3 264.325 1.638 10 0 CDAEHM O=C(NCCNc1ccccc1)c1cc(=O)[n-]cn1 ZINC001147832066 932613608 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934157159 /nfs/dbraw/zinc/15/71/59/934157159.db2.gz QFAYFZQXDUIFSB-UHFFFAOYSA-N -1 3 263.293 1.960 10 0 CDAEHM O=C(CCc1nnc(C(F)F)o1)Nc1ncccc1[O-] ZINC001412815428 934373018 /nfs/dbraw/zinc/37/30/18/934373018.db2.gz IQYRGRLCYFQFFE-UHFFFAOYSA-N -1 3 284.222 1.679 10 0 CDAEHM C[C@@H](Cc1cccc(O)c1)NC(=O)c1cnncc1[O-] ZINC001412937645 935106218 /nfs/dbraw/zinc/10/62/18/935106218.db2.gz JQTFYHGTVWXXRA-VIFPVBQESA-N -1 3 273.292 1.249 10 0 CDAEHM O=C(NC[C@H](O)c1c[nH]cn1)c1cc([O-])ccc1Cl ZINC001413558792 936179434 /nfs/dbraw/zinc/17/94/34/936179434.db2.gz IXVVOJCJKVYJHV-NSHDSACASA-N -1 3 281.699 1.232 10 0 CDAEHM CO[C@H]([C@@H](C)NCc1cccc(C(=O)[O-])n1)C1CC1 ZINC000384403868 936215364 /nfs/dbraw/zinc/21/53/64/936215364.db2.gz VCICEWXNXKAMGZ-NOZJJQNGSA-N -1 3 264.325 1.683 10 0 CDAEHM COCCCn1c(=O)[n-]nc1S[C@@H](C)c1nnc(C)[nH]1 ZINC001165422951 939562188 /nfs/dbraw/zinc/56/21/88/939562188.db2.gz NTZASKBKQCAOEA-ZETCQYMHSA-N -1 3 298.372 1.300 10 0 CDAEHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cccnc2F)CCO1 ZINC000401850960 940883695 /nfs/dbraw/zinc/88/36/95/940883695.db2.gz WVOVKFZGGPYILP-NXEZZACHSA-N -1 3 288.344 1.314 10 0 CDAEHM CCOc1nnc(NC(=O)[C@H](C)CC(F)(F)F)[n-]1 ZINC000402546715 940902669 /nfs/dbraw/zinc/90/26/69/940902669.db2.gz DPGDAWMBQNBMQR-RXMQYKEDSA-N -1 3 266.223 1.730 10 0 CDAEHM CCOc1nc(NC(=O)[C@H](C)CC(F)(F)F)n[n-]1 ZINC000402546715 940902670 /nfs/dbraw/zinc/90/26/70/940902670.db2.gz DPGDAWMBQNBMQR-RXMQYKEDSA-N -1 3 266.223 1.730 10 0 CDAEHM CCOc1n[n-]c(NC(=O)[C@H](C)CC(F)(F)F)n1 ZINC000402546715 940902672 /nfs/dbraw/zinc/90/26/72/940902672.db2.gz DPGDAWMBQNBMQR-RXMQYKEDSA-N -1 3 266.223 1.730 10 0 CDAEHM Cc1nsc([N-]C(=O)c2ccnc(-c3ccccn3)n2)n1 ZINC001524004340 970787911 /nfs/dbraw/zinc/78/79/11/970787911.db2.gz JFWDPGNLLQLGTJ-UHFFFAOYSA-N -1 3 298.331 1.951 10 0 CDAEHM Clc1cnc(CN2CC[C@@H](c3nnn[n-]3)C2)c(Cl)c1 ZINC001473753074 970843357 /nfs/dbraw/zinc/84/33/57/970843357.db2.gz POKXLTIDXLMMMZ-SSDOTTSWSA-N -1 3 299.165 1.891 10 0 CDAEHM 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10 0 CDAEHM COCCCO[N-]C(=O)CCc1nnc(C(F)F)o1 ZINC001261874685 946314040 /nfs/dbraw/zinc/31/40/40/946314040.db2.gz HEIGXGHCPUMFOA-UHFFFAOYSA-N -1 3 279.243 1.024 10 0 CDAEHM O=C(Nc1cccc2c1CN(C1CC1)C2)c1cnncc1[O-] ZINC001362431268 971265312 /nfs/dbraw/zinc/26/53/12/971265312.db2.gz VNPLYIFQYUATQV-UHFFFAOYSA-N -1 3 296.330 1.913 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)COc2ccsn2)[n-]n1 ZINC001362450667 971286113 /nfs/dbraw/zinc/28/61/13/971286113.db2.gz HPBUCOBMHZPPOZ-UHFFFAOYSA-N -1 3 296.308 1.060 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)COc2ccsn2)n[n-]1 ZINC001362450667 971286124 /nfs/dbraw/zinc/28/61/24/971286124.db2.gz HPBUCOBMHZPPOZ-UHFFFAOYSA-N -1 3 296.308 1.060 10 0 CDAEHM CCOc1nnc(NC(=O)c2occ3c2CCOC3)[n-]1 ZINC001362794939 971624422 /nfs/dbraw/zinc/62/44/22/971624422.db2.gz IVGFYEMSAKVNPQ-UHFFFAOYSA-N -1 3 278.268 1.121 10 0 CDAEHM CCOc1nc(NC(=O)c2occ3c2CCOC3)n[n-]1 ZINC001362794939 971624424 /nfs/dbraw/zinc/62/44/24/971624424.db2.gz IVGFYEMSAKVNPQ-UHFFFAOYSA-N -1 3 278.268 1.121 10 0 CDAEHM 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294.267 1.144 10 0 CDAEHM C[C@H](NC(=O)[C@](C)(O)C1CC1)c1nc(C(F)(F)F)n[n-]1 ZINC001363652104 953608330 /nfs/dbraw/zinc/60/83/30/953608330.db2.gz LUSHGGUTGHZHTO-XUOSJQGZSA-N -1 3 292.261 1.162 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)[C@H]1CCCOC1 ZINC001363981425 954097250 /nfs/dbraw/zinc/09/72/50/954097250.db2.gz ZPLKAKVGRGUHBP-JTQLQIEISA-N -1 3 277.324 1.102 10 0 CDAEHM CCC(C)(C)CC(=O)NCCc1c(C)[n-][nH]c1=O ZINC001292969370 954277678 /nfs/dbraw/zinc/27/76/78/954277678.db2.gz IPMBCZZMEQLYTC-JTQLQIEISA-N -1 3 253.346 1.441 10 0 CDAEHM O=C(NCc1nc2cc(F)ccc2[nH]1)c1cnncc1[O-] ZINC001293982028 954446659 /nfs/dbraw/zinc/44/66/59/954446659.db2.gz MDQHBXITBFFTKT-UHFFFAOYSA-N -1 3 287.254 1.128 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNc1cc(C)nc(C2CCC2)n1 ZINC001364529078 954744383 /nfs/dbraw/zinc/74/43/83/954744383.db2.gz AFDXXLNSMOINGE-GFCCVEGCSA-N -1 3 287.367 1.976 10 0 CDAEHM Cc1ccc(CN[C@@H](C(=O)[O-])[C@@H]2CCCO2)c(F)c1 ZINC001329244174 955773051 /nfs/dbraw/zinc/77/30/51/955773051.db2.gz 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1.529 10 0 CDAEHM O=C(CC1CC1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000095174365 539041927 /nfs/dbraw/zinc/04/19/27/539041927.db2.gz UCBCIFYXEYTFHN-UHFFFAOYSA-N -1 3 257.297 1.529 10 0 CDAEHM COc1nnc(NC(=O)[C@H]2C[C@@H](C(C)=O)C2(C)C)[n-]1 ZINC000157190618 342220419 /nfs/dbraw/zinc/22/04/19/342220419.db2.gz KGAZSKKCSYYWHP-JGVFFNPUSA-N -1 3 266.301 1.003 10 0 CDAEHM COc1nc(NC(=O)[C@H]2C[C@@H](C(C)=O)C2(C)C)n[n-]1 ZINC000157190618 342220420 /nfs/dbraw/zinc/22/04/20/342220420.db2.gz KGAZSKKCSYYWHP-JGVFFNPUSA-N -1 3 266.301 1.003 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H]2C[C@@H](C(C)=O)C2(C)C)n1 ZINC000157190618 342220421 /nfs/dbraw/zinc/22/04/21/342220421.db2.gz KGAZSKKCSYYWHP-JGVFFNPUSA-N -1 3 266.301 1.003 10 0 CDAEHM C[C@H](F)CC[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000549914920 539091082 /nfs/dbraw/zinc/09/10/82/539091082.db2.gz MGFNZACCROGKAH-ZETCQYMHSA-N -1 3 289.357 1.718 10 0 CDAEHM Cn1cc(CCSCc2cc(=O)[n-]c(C3CC3)n2)nn1 ZINC000600633088 342239975 /nfs/dbraw/zinc/23/99/75/342239975.db2.gz 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C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H](N)CC(=O)[O-] ZINC000085815821 179180496 /nfs/dbraw/zinc/18/04/96/179180496.db2.gz GVWCNPJRHQOWRE-SMDDNHRTSA-N -1 3 290.363 1.616 10 0 CDAEHM CC(C)CCCCCCNC(=O)[C@@H](N)CC(=O)[O-] ZINC000085817398 179180562 /nfs/dbraw/zinc/18/05/62/179180562.db2.gz DXBIYCVOEFUPLG-NSHDSACASA-N -1 3 258.362 1.511 10 0 CDAEHM CC[C@H](NC(=O)[C@H](N)CC(=O)[O-])C1CCCCC1 ZINC000085817891 179181043 /nfs/dbraw/zinc/18/10/43/179181043.db2.gz WQWZGBFKHCLMOJ-MNOVXSKESA-N -1 3 256.346 1.264 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000085818014 179181421 /nfs/dbraw/zinc/18/14/21/179181421.db2.gz IBLKGXVDPKOXAV-ZETCQYMHSA-N -1 3 294.204 1.585 10 0 CDAEHM Cc1co[n-]c1=NC(=O)c1c(C2CCC2)cnn1C ZINC000612712495 347263628 /nfs/dbraw/zinc/26/36/28/347263628.db2.gz YACGQZAPLYCQKS-UHFFFAOYSA-N -1 3 260.297 1.658 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCCN(C)C2)c1 ZINC000623479834 347422182 /nfs/dbraw/zinc/42/21/82/347422182.db2.gz VIIUPJNNIOLBFI-GFCCVEGCSA-N -1 3 262.353 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ZINC000286167912 391583719 /nfs/dbraw/zinc/58/37/19/391583719.db2.gz BNTIKJWZACGAQA-INIZCTEOSA-N -1 3 291.347 1.722 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)NCc1ncccc1[O-] ZINC000528274750 391655786 /nfs/dbraw/zinc/65/57/86/391655786.db2.gz BSPGSUGZGYIRQG-COMAGPEQSA-N -1 3 279.340 1.398 10 0 CDAEHM CCN1CCN(C(=O)c2ncc(C)cc2[O-])[C@H](C)C1 ZINC000341838660 130083043 /nfs/dbraw/zinc/08/30/43/130083043.db2.gz DJUSCXSRLQKBEV-LLVKDONJSA-N -1 3 263.341 1.262 10 0 CDAEHM CN(C)c1nc(C(=O)N(C)[C@@H]2CC2(C)C)cc(=O)[n-]1 ZINC000407989046 391802074 /nfs/dbraw/zinc/80/20/74/391802074.db2.gz HOKOKEJPWUPXTR-SECBINFHSA-N -1 3 264.329 1.119 10 0 CDAEHM CC1CCC(N(C)C(=O)c2cc(=O)[n-]c(N(C)C)n2)CC1 ZINC000407985364 391797315 /nfs/dbraw/zinc/79/73/15/391797315.db2.gz HABVXUJDKYDILN-UHFFFAOYSA-N -1 3 292.383 1.899 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CC[C@H](OC(F)F)C2)n1 ZINC000549407862 391936660 /nfs/dbraw/zinc/93/66/60/391936660.db2.gz GFFMKGCAGAPCDQ-VIFPVBQESA-N -1 3 273.283 1.558 10 0 CDAEHM O=S(=O)([N-][C@@H]1C[C@H]1C1CC1)c1cn2c(n1)CCCC2 ZINC000430032472 391889668 /nfs/dbraw/zinc/88/96/68/391889668.db2.gz GNHCOKQURHPSSM-WDEREUQCSA-N -1 3 281.381 1.296 10 0 CDAEHM C[C@@H](C(=O)NC1CCC(C)CC1)N(C)CCCC(=O)[O-] ZINC000430667148 392038530 /nfs/dbraw/zinc/03/85/30/392038530.db2.gz DVAHJMQQFHXQQO-CPCZMJQVSA-N -1 3 284.400 1.866 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2ccc(F)cn2)c[n-]1 ZINC000431338235 392185747 /nfs/dbraw/zinc/18/57/47/392185747.db2.gz NGHUUAYMZWFVHR-UHFFFAOYSA-N -1 3 263.228 1.588 10 0 CDAEHM CCCn1ncnc1CN1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000300001025 392446155 /nfs/dbraw/zinc/44/61/55/392446155.db2.gz PTPCLIOWYDXEGZ-LOWVWBTDSA-N -1 3 278.356 1.373 10 0 CDAEHM NC(=O)[C@H]1CCC[C@H](NC(=O)c2csc(=O)[n-]2)C1 ZINC000332981753 392486890 /nfs/dbraw/zinc/48/68/90/392486890.db2.gz WXMURQGMZPTZNS-BQBZGAKWSA-N -1 3 269.326 1.673 10 0 CDAEHM COCc1ccc(C(=O)Nc2nnc(OC)[n-]2)cc1 ZINC000126811447 392589286 /nfs/dbraw/zinc/58/92/86/392589286.db2.gz WCYRSDLKTMAFBP-UHFFFAOYSA-N -1 3 262.269 1.212 10 0 CDAEHM COCc1ccc(C(=O)Nc2n[n-]c(OC)n2)cc1 ZINC000126811447 392589290 /nfs/dbraw/zinc/58/92/90/392589290.db2.gz WCYRSDLKTMAFBP-UHFFFAOYSA-N -1 3 262.269 1.212 10 0 CDAEHM COCc1ccc(C(=O)Nc2nc(OC)n[n-]2)cc1 ZINC000126811447 392589294 /nfs/dbraw/zinc/58/92/94/392589294.db2.gz WCYRSDLKTMAFBP-UHFFFAOYSA-N -1 3 262.269 1.212 10 0 CDAEHM COc1cccc(C(=O)NCc2ccccc2CO)c1[O-] ZINC000127623005 392623132 /nfs/dbraw/zinc/62/31/32/392623132.db2.gz RZZBAVPUOXGSRV-UHFFFAOYSA-N -1 3 287.315 1.823 10 0 CDAEHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cn(CC2CC2)nn1 ZINC000449262401 392738432 /nfs/dbraw/zinc/73/84/32/392738432.db2.gz HJJXXPGNKCAYMC-UHFFFAOYSA-N -1 3 299.294 1.319 10 0 CDAEHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cn(CC2CC2)nn1 ZINC000449262401 392738439 /nfs/dbraw/zinc/73/84/39/392738439.db2.gz HJJXXPGNKCAYMC-UHFFFAOYSA-N -1 3 299.294 1.319 10 0 CDAEHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cn(CC2CC2)nn1 ZINC000449262401 392738448 /nfs/dbraw/zinc/73/84/48/392738448.db2.gz HJJXXPGNKCAYMC-UHFFFAOYSA-N -1 3 299.294 1.319 10 0 CDAEHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)o1)C(C)C ZINC000540206296 392748784 /nfs/dbraw/zinc/74/87/84/392748784.db2.gz QXNAWIUFVNGFFY-SNVBAGLBSA-N -1 3 261.343 1.537 10 0 CDAEHM O=C(CNC(=O)c1cccc([O-])c1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000649167906 392911297 /nfs/dbraw/zinc/91/12/97/392911297.db2.gz YDGMWESIKGHUIV-WCFLWFBJSA-N -1 3 288.347 1.427 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H](CC(C)C)C(N)=O ZINC000649229083 393120485 /nfs/dbraw/zinc/12/04/85/393120485.db2.gz MHPJMIBEGUYLCB-JTQLQIEISA-N -1 3 280.372 1.350 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1(CF)CCOCC1 ZINC000649229323 393121009 /nfs/dbraw/zinc/12/10/09/393121009.db2.gz WNYSBKDDHCXGNY-UHFFFAOYSA-N -1 3 283.347 1.968 10 0 CDAEHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000649238531 393143271 /nfs/dbraw/zinc/14/32/71/393143271.db2.gz CQDPSRJEBFQWRG-RWMBFGLXSA-N -1 3 288.347 1.427 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-][C@@H]2COCC2(C)C)s1 ZINC000451962445 393412728 /nfs/dbraw/zinc/41/27/28/393412728.db2.gz FVOLHCSNQNADNX-MRVPVSSYSA-N -1 3 276.383 1.155 10 0 CDAEHM COC(=O)[C@@H](CNC(=O)c1cccc([O-])c1)CC(C)C ZINC000182503578 140021694 /nfs/dbraw/zinc/02/16/94/140021694.db2.gz PJNQUJWNYLXSCJ-GFCCVEGCSA-N -1 3 279.336 1.957 10 0 CDAEHM COc1ccc(C(=O)N2CCN3CCC2CC3)c([O-])c1 ZINC000188844584 140102233 /nfs/dbraw/zinc/10/22/33/140102233.db2.gz VAUCLMSOLHIQII-UHFFFAOYSA-N -1 3 276.336 1.321 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)C2CCC(O)CC2)n[n-]1 ZINC000194934650 140150388 /nfs/dbraw/zinc/15/03/88/140150388.db2.gz GLEGGLDRERXLSN-UHFFFAOYSA-N -1 3 289.339 1.300 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)C2CCC(O)CC2)[n-]n1 ZINC000194934650 140150390 /nfs/dbraw/zinc/15/03/90/140150390.db2.gz GLEGGLDRERXLSN-UHFFFAOYSA-N -1 3 289.339 1.300 10 0 CDAEHM CSc1nc(NC(=O)[C@@H](C)Cc2ccco2)n[n-]1 ZINC000667618601 483354011 /nfs/dbraw/zinc/35/40/11/483354011.db2.gz BVJQEHWEQNQICT-ZETCQYMHSA-N -1 3 266.326 1.937 10 0 CDAEHM CO[C@@H]1CCC[C@@H]([C@@H](CO)[N-]c2nnc(C(F)F)o2)C1 ZINC000664201631 413144510 /nfs/dbraw/zinc/14/45/10/413144510.db2.gz UEPJOXKHXVYRLK-IWSPIJDZSA-N -1 3 291.298 1.985 10 0 CDAEHM [O-]c1cccc(CN2CCN3C[C@H](O)C[C@H]3C2)c1Cl ZINC000656273559 413150586 /nfs/dbraw/zinc/15/05/86/413150586.db2.gz IZMVZSJAGKPRPC-NWDGAFQWSA-N -1 3 282.771 1.296 10 0 CDAEHM C[N-]S(=O)(=O)c1cc(NCc2nccn2C)ccc1F ZINC000419781031 397639162 /nfs/dbraw/zinc/63/91/62/397639162.db2.gz PHIPPUWTCZUOBH-UHFFFAOYSA-N -1 3 298.343 1.079 10 0 CDAEHM CCS(=O)(=O)c1c(C(=O)[O-])oc2cccc(OC)c21 ZINC000584881526 397787012 /nfs/dbraw/zinc/78/70/12/397787012.db2.gz KOHHTSKHWGSBTD-UHFFFAOYSA-N -1 3 284.289 1.933 10 0 CDAEHM CC(C)n1cnc([N-]C(=O)c2ncoc2C2CC2)n1 ZINC000650286325 397854268 /nfs/dbraw/zinc/85/42/68/397854268.db2.gz XSFXSOPSNBMKMN-UHFFFAOYSA-N -1 3 261.285 1.977 10 0 CDAEHM COc1nnc(NC(=O)CCc2nc(C(C)(C)C)no2)[n-]1 ZINC000179362107 148110381 /nfs/dbraw/zinc/11/03/81/148110381.db2.gz HOKMLBWIYIOEKC-UHFFFAOYSA-N -1 3 294.315 1.065 10 0 CDAEHM COc1nc(NC(=O)CCc2nc(C(C)(C)C)no2)n[n-]1 ZINC000179362107 148110383 /nfs/dbraw/zinc/11/03/83/148110383.db2.gz HOKMLBWIYIOEKC-UHFFFAOYSA-N -1 3 294.315 1.065 10 0 CDAEHM COc1n[n-]c(NC(=O)CCc2nc(C(C)(C)C)no2)n1 ZINC000179362107 148110385 /nfs/dbraw/zinc/11/03/85/148110385.db2.gz HOKMLBWIYIOEKC-UHFFFAOYSA-N -1 3 294.315 1.065 10 0 CDAEHM O=C(NCc1cccnc1-n1ccnc1)c1cccc([O-])c1 ZINC000181850893 148228337 /nfs/dbraw/zinc/22/83/37/148228337.db2.gz QLYCPPAQUADWIB-UHFFFAOYSA-N -1 3 294.314 1.903 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCCN(C2CC2)CC1 ZINC000182256832 148251357 /nfs/dbraw/zinc/25/13/57/148251357.db2.gz SBWOACQSIONYGA-UHFFFAOYSA-N -1 3 276.336 1.408 10 0 CDAEHM COC(=O)c1coc(C(=O)[N-]c2cc(OC)ccn2)c1 ZINC000184232497 148340152 /nfs/dbraw/zinc/34/01/52/148340152.db2.gz CPEHPKXERFJCOO-UHFFFAOYSA-N -1 3 276.248 1.722 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1ccc(-n2cnnc2)cc1 ZINC000352506035 155234480 /nfs/dbraw/zinc/23/44/80/155234480.db2.gz CPIBBUYOVXBSLH-UHFFFAOYSA-N -1 3 295.302 1.298 10 0 CDAEHM Cc1ccc([O-])c(CNc2ccc(CCO)nc2)n1 ZINC000352546345 155262864 /nfs/dbraw/zinc/26/28/64/155262864.db2.gz TYMNMYLMBIHCJZ-UHFFFAOYSA-N -1 3 259.309 1.638 10 0 CDAEHM CCC(=O)N1CCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000335153431 150344785 /nfs/dbraw/zinc/34/47/85/150344785.db2.gz ISTJRFNSMKHVDS-UHFFFAOYSA-N -1 3 262.309 1.353 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)C(C)(C)O)o1 ZINC000335961756 151151964 /nfs/dbraw/zinc/15/19/64/151151964.db2.gz LMBGTRXBVJOPIP-UHFFFAOYSA-N -1 3 261.343 1.416 10 0 CDAEHM COc1nc(NC(=O)C[C@H](C)n2nc(C)cc2C)n[n-]1 ZINC000352648455 155323787 /nfs/dbraw/zinc/32/37/87/155323787.db2.gz UHVVAYDPODPJKO-VIFPVBQESA-N -1 3 278.316 1.216 10 0 CDAEHM COc1nnc(NC(=O)C[C@H](C)n2nc(C)cc2C)[n-]1 ZINC000352648455 155323791 /nfs/dbraw/zinc/32/37/91/155323791.db2.gz UHVVAYDPODPJKO-VIFPVBQESA-N -1 3 278.316 1.216 10 0 CDAEHM COc1n[n-]c(NC(=O)C[C@H](C)n2nc(C)cc2C)n1 ZINC000352648455 155323793 /nfs/dbraw/zinc/32/37/93/155323793.db2.gz UHVVAYDPODPJKO-VIFPVBQESA-N -1 3 278.316 1.216 10 0 CDAEHM CCc1cc(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)ccc1[O-] ZINC000343069093 152019772 /nfs/dbraw/zinc/01/97/72/152019772.db2.gz BMXIQOFZBYPXGI-JTQLQIEISA-N -1 3 297.376 1.214 10 0 CDAEHM Cc1cc(CCNC(=O)c2ccc([O-])c(C)c2)on1 ZINC000343087144 152026808 /nfs/dbraw/zinc/02/68/08/152026808.db2.gz FETSBXJYHODHTQ-UHFFFAOYSA-N -1 3 260.293 1.970 10 0 CDAEHM CCOc1nc2cc(C(=O)N[C@@H](C)[C@H](C)CO)ccc2[n-]1 ZINC000346818899 153312453 /nfs/dbraw/zinc/31/24/53/153312453.db2.gz CSOLYXJZMCPEFB-ZJUUUORDSA-N -1 3 291.351 1.708 10 0 CDAEHM CCOc1nc2ccc(C(=O)N[C@@H](C)[C@H](C)CO)cc2[n-]1 ZINC000346818899 153312455 /nfs/dbraw/zinc/31/24/55/153312455.db2.gz CSOLYXJZMCPEFB-ZJUUUORDSA-N -1 3 291.351 1.708 10 0 CDAEHM O=C(NCc1ncccc1[O-])N[C@H]1CCc2c1cccc2O ZINC000349495986 154123953 /nfs/dbraw/zinc/12/39/53/154123953.db2.gz WBRULCUHQAKLPX-LBPRGKRZSA-N -1 3 299.330 1.980 10 0 CDAEHM C[C@H]1C[C@@H](CCNC(=O)NCc2ncccc2[O-])CCO1 ZINC000349897908 154262539 /nfs/dbraw/zinc/26/25/39/154262539.db2.gz SMEXBDNHDJFPDC-RYUDHWBXSA-N -1 3 293.367 1.792 10 0 CDAEHM CO[C@H](C)[C@H](C)NC(=O)NCc1ncccc1[O-] ZINC000349955277 154286965 /nfs/dbraw/zinc/28/69/65/154286965.db2.gz QQNFNUDLPQAJOQ-DTWKUNHWSA-N -1 3 253.302 1.010 10 0 CDAEHM O=C(/C=C/c1cncc([O-])c1)N1CCC12CCOCC2 ZINC000375525354 160389171 /nfs/dbraw/zinc/38/91/71/160389171.db2.gz LHOLMYTUNFVDBJ-OWOJBTEDSA-N -1 3 274.320 1.582 10 0 CDAEHM COCc1cnc(NC(=O)c2c[n-]c(C(=O)OC)c2)s1 ZINC000354174286 156305728 /nfs/dbraw/zinc/30/57/28/156305728.db2.gz BINVUHJKMPHSMR-UHFFFAOYSA-N -1 3 295.320 1.657 10 0 CDAEHM CCCn1c(=O)[n-]nc1SCCCN1CCOCC1 ZINC000355570876 157122959 /nfs/dbraw/zinc/12/29/59/157122959.db2.gz WFGMRRKFBWHTFU-UHFFFAOYSA-N -1 3 286.401 1.208 10 0 CDAEHM COc1nc(NC(=O)C[C@H]2CCC[C@@H](C)C2)n[n-]1 ZINC000355631286 157154094 /nfs/dbraw/zinc/15/40/94/157154094.db2.gz OBHQVRYNTUUTSY-BDAKNGLRSA-N -1 3 252.318 1.968 10 0 CDAEHM COc1nnc(NC(=O)C[C@H]2CCC[C@@H](C)C2)[n-]1 ZINC000355631286 157154096 /nfs/dbraw/zinc/15/40/96/157154096.db2.gz OBHQVRYNTUUTSY-BDAKNGLRSA-N -1 3 252.318 1.968 10 0 CDAEHM COc1n[n-]c(NC(=O)C[C@H]2CCC[C@@H](C)C2)n1 ZINC000355631286 157154100 /nfs/dbraw/zinc/15/41/00/157154100.db2.gz OBHQVRYNTUUTSY-BDAKNGLRSA-N -1 3 252.318 1.968 10 0 CDAEHM Oc1[n-]c(N2CCC[C@@H](CCF)C2)nc2nncc1-2 ZINC000664412739 413357867 /nfs/dbraw/zinc/35/78/67/413357867.db2.gz HUONKXCTQCIOPV-QMMMGPOBSA-N -1 3 265.292 1.635 10 0 CDAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H]1CCC=CCCC1 ZINC001586173759 1172934610 /nfs/dbraw/zinc/93/46/10/1172934610.db2.gz FTAPKVWRLHRQSA-VIFPVBQESA-N -1 3 292.339 1.336 10 0 CDAEHM CCc1cc(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)ccc1[O-] ZINC000362821243 159245869 /nfs/dbraw/zinc/24/58/69/159245869.db2.gz WMOBMQWXHQZUSZ-DGCLKSJQSA-N -1 3 290.363 1.729 10 0 CDAEHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1ccnc(F)c1 ZINC000363204382 159310059 /nfs/dbraw/zinc/31/00/59/159310059.db2.gz BKVQHKRTDSVOBQ-UHFFFAOYSA-N -1 3 283.266 1.680 10 0 CDAEHM O=c1cc(CN2CCCC23CCC3)nc2cc[n-]n21 ZINC000365639177 159380279 /nfs/dbraw/zinc/38/02/79/159380279.db2.gz PHHOJGFALJCGJV-UHFFFAOYSA-N -1 3 258.325 1.541 10 0 CDAEHM Cc1ccc(NC(=O)C2(N3CCOCC3)CCC2)c([O-])c1 ZINC000372973994 160162289 /nfs/dbraw/zinc/16/22/89/160162289.db2.gz GHFWNLPRLUHZAU-UHFFFAOYSA-N -1 3 290.363 1.894 10 0 CDAEHM CC(C)(O)CON=C([O-])Nc1nc(C(F)(F)F)cs1 ZINC000284638790 196100672 /nfs/dbraw/zinc/10/06/72/196100672.db2.gz VOUGJPNZFNEPMW-UHFFFAOYSA-N -1 3 299.274 1.986 10 0 CDAEHM CC(C)(O)CO[N-]C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000284638790 196100674 /nfs/dbraw/zinc/10/06/74/196100674.db2.gz VOUGJPNZFNEPMW-UHFFFAOYSA-N -1 3 299.274 1.986 10 0 CDAEHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](O)C(C)C)cc1F ZINC000120646134 412408012 /nfs/dbraw/zinc/40/80/12/412408012.db2.gz PSCMTNWJAIMGNO-NSHDSACASA-N -1 3 293.335 1.568 10 0 CDAEHM CC[C@@H](CS(=O)(=O)[N-]c1ccc2c(c1)CCOC2)OC ZINC000656647621 413510568 /nfs/dbraw/zinc/51/05/68/413510568.db2.gz WGUGOMGCHJDFDI-AWEZNQCLSA-N -1 3 299.392 1.926 10 0 CDAEHM Cc1oc(-c2cccs2)nc1CNCC(=O)[O-] ZINC000035384739 172167245 /nfs/dbraw/zinc/16/72/45/172167245.db2.gz ONPGMILUIICZJP-UHFFFAOYSA-N -1 3 252.295 1.886 10 0 CDAEHM Cc1ccc(Cl)c(NC(=O)CNCC(=O)[O-])c1Cl ZINC000035385231 172167473 /nfs/dbraw/zinc/16/74/73/172167473.db2.gz SUPHVGNYPLPPCH-UHFFFAOYSA-N -1 3 291.134 1.915 10 0 CDAEHM CO[C@H]1C[C@@H](N(C)CC(=O)[N-]OCc2ccccc2)C1 ZINC000285400712 196273292 /nfs/dbraw/zinc/27/32/92/196273292.db2.gz ORMOEOQKLZFBCX-OKILXGFUSA-N -1 3 278.352 1.344 10 0 CDAEHM O=S(=O)([N-][C@@H](CO)C1CCC1)c1ccc(Cl)s1 ZINC000657057245 413881045 /nfs/dbraw/zinc/88/10/45/413881045.db2.gz JICZDEDEUXMSNT-QMMMGPOBSA-N -1 3 295.813 1.841 10 0 CDAEHM CCOc1cc2c(cc1CNCCC(=O)[O-])O[C@@H](C)C2 ZINC000036804285 172721857 /nfs/dbraw/zinc/72/18/57/172721857.db2.gz GWJMUCADSGWNAB-JTQLQIEISA-N -1 3 279.336 1.973 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-][C@@H]2C[C@H](C)n3ncnc32)c1 ZINC000657068041 413890017 /nfs/dbraw/zinc/89/00/17/413890017.db2.gz ZFMCTMGDJXVMFZ-DTWKUNHWSA-N -1 3 298.393 1.632 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCc2cnccc2C)o1 ZINC000657083010 413903179 /nfs/dbraw/zinc/90/31/79/413903179.db2.gz YDRKNTVDWDLUDW-UHFFFAOYSA-N -1 3 280.349 1.812 10 0 CDAEHM C[C@@H](C(=O)NC[C@@H](C(=O)[O-])C1CCC1)N1CCCCCC1 ZINC000663152193 414007011 /nfs/dbraw/zinc/00/70/11/414007011.db2.gz ISRJUDUINHXJJP-GXTWGEPZSA-N -1 3 296.411 1.868 10 0 CDAEHM O=S(=O)([N-][C@@H]1C[C@@H](O)C12CCC2)c1ccccc1F ZINC000657184831 414017485 /nfs/dbraw/zinc/01/74/85/414017485.db2.gz NUPQVQLIHQBSMS-VXGBXAGGSA-N -1 3 285.340 1.408 10 0 CDAEHM CN1CC[C@@H]2OCCN(C(=O)c3ccc([O-])cc3F)[C@@H]2C1 ZINC000285695952 196369071 /nfs/dbraw/zinc/36/90/71/196369071.db2.gz IMNNJKJTLHQESD-KGLIPLIRSA-N -1 3 294.326 1.076 10 0 CDAEHM O=C([O-])[C@]1(N2CCCCC2)COc2cc(O)ccc21 ZINC000037361729 173150757 /nfs/dbraw/zinc/15/07/57/173150757.db2.gz MLPXPWGSRRNEGJ-AWEZNQCLSA-N -1 3 263.293 1.550 10 0 CDAEHM Cc1ccc([O-])c(C[NH2+]C[C@H](C(=O)[O-])C2CCC2)n1 ZINC000665361656 414108907 /nfs/dbraw/zinc/10/89/07/414108907.db2.gz UGCOHTCXHYAGKU-NSHDSACASA-N -1 3 264.325 1.686 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2CCn3cc(C)nc3C2)cc1[O-] ZINC000665420362 414172808 /nfs/dbraw/zinc/17/28/08/414172808.db2.gz YQSBGYUGFNYUKI-UHFFFAOYSA-N -1 3 299.330 1.756 10 0 CDAEHM C[C@H](NC(=O)NCc1ncccc1[O-])c1nccn1C ZINC000662099715 414514766 /nfs/dbraw/zinc/51/47/66/414514766.db2.gz WQIVMLWAONKCKH-VIFPVBQESA-N -1 3 275.312 1.081 10 0 CDAEHM CCN(CCC(=O)[O-])Cc1cc(=O)n2ccc(C)cc2n1 ZINC000038024372 174007197 /nfs/dbraw/zinc/00/71/97/174007197.db2.gz BJTYZBFBOSXOQA-UHFFFAOYSA-N -1 3 289.335 1.300 10 0 CDAEHM CCN(CCC(=O)[O-])[C@H](C)C(=O)NCCC(C)C ZINC000038025101 174008950 /nfs/dbraw/zinc/00/89/50/174008950.db2.gz RVLHKBUCOURJOB-LLVKDONJSA-N -1 3 258.362 1.334 10 0 CDAEHM CC[C@@H](NC(=O)c1cc(C)ccc1[O-])C(N)=S ZINC000040352546 174245150 /nfs/dbraw/zinc/24/51/50/174245150.db2.gz SGHVQAXKISOXDQ-SECBINFHSA-N -1 3 252.339 1.495 10 0 CDAEHM CCC[C@H](NC(=O)c1cc(C)ccc1[O-])C(N)=S ZINC000040353685 174245326 /nfs/dbraw/zinc/24/53/26/174245326.db2.gz OEXMHRQBEXAVLH-JTQLQIEISA-N -1 3 266.366 1.885 10 0 CDAEHM CCC[C@H]([N-]S(=O)(=O)c1c(C)noc1C)C(N)=S ZINC000040363657 174247371 /nfs/dbraw/zinc/24/73/71/174247371.db2.gz FZIPZRQCUPAOMH-QMMMGPOBSA-N -1 3 291.398 1.025 10 0 CDAEHM CN1CCC[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000040452256 174266224 /nfs/dbraw/zinc/26/62/24/174266224.db2.gz OKSBNKYZTZBHMJ-JTQLQIEISA-N -1 3 268.744 1.870 10 0 CDAEHM CCCC[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000040469740 174278272 /nfs/dbraw/zinc/27/82/72/174278272.db2.gz DXSBMCPQDRPBJX-UONOGXRCSA-N -1 3 290.363 1.542 10 0 CDAEHM CCC[C@H](N)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000040480846 174285014 /nfs/dbraw/zinc/28/50/14/174285014.db2.gz ZZFUFVOKZAAZLP-NSHDSACASA-N -1 3 262.309 1.401 10 0 CDAEHM CC(C)(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)[O-] ZINC000040482037 174285993 /nfs/dbraw/zinc/28/59/93/174285993.db2.gz SBUVTFJPDQEVDV-NWDGAFQWSA-N -1 3 278.352 1.172 10 0 CDAEHM CCC[C@@H](N)C(=O)N(CCC(=O)[O-])c1ccccc1 ZINC000040483899 174287732 /nfs/dbraw/zinc/28/77/32/174287732.db2.gz IHRWNJLBOZKSAP-GFCCVEGCSA-N -1 3 264.325 1.622 10 0 CDAEHM [O-]c1ccc([C@H](CO)NC[C@@H]2CCCO2)cc1Cl ZINC000043490021 175057201 /nfs/dbraw/zinc/05/72/01/175057201.db2.gz KTGRJCXJHWNTGP-JQWIXIFHSA-N -1 3 271.744 1.848 10 0 CDAEHM O=C([O-])/C=C/c1ccsc1CN1CCC[C@H]1CO ZINC000043684758 175093224 /nfs/dbraw/zinc/09/32/24/175093224.db2.gz UPYJJCWHNGRNOL-UFFNRZRYSA-N -1 3 267.350 1.803 10 0 CDAEHM O=C([O-])/C=C/c1csc(CN2CCC[C@@H](O)C2)c1 ZINC000043699252 175097654 /nfs/dbraw/zinc/09/76/54/175097654.db2.gz PZGVCPJEDLPWLQ-PGLGOXFNSA-N -1 3 267.350 1.803 10 0 CDAEHM COC(=O)CN(C(=O)c1ccc(C)cc1[O-])C(C)C ZINC000044318191 175163289 /nfs/dbraw/zinc/16/32/89/175163289.db2.gz WIIKKGKZAPAMFF-UHFFFAOYSA-N -1 3 265.309 1.724 10 0 CDAEHM CCC[C@@H](NC(=O)NC[C@@H]1CCCCN1C)C(=O)[O-] ZINC000044565670 175208126 /nfs/dbraw/zinc/20/81/26/175208126.db2.gz FQGGTYZVRLKMPZ-WDEREUQCSA-N -1 3 271.361 1.023 10 0 CDAEHM CC[C@@H](C(=O)[O-])N(C)C(=O)N[C@H](CN(C)C)C(C)C ZINC000044646068 175222807 /nfs/dbraw/zinc/22/28/07/175222807.db2.gz BCHXNYUNCNTVPY-MNOVXSKESA-N -1 3 273.377 1.077 10 0 CDAEHM CCOC[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000044726317 175238183 /nfs/dbraw/zinc/23/81/83/175238183.db2.gz QAJDBMQFQRWYJA-MRVPVSSYSA-N -1 3 278.761 1.438 10 0 CDAEHM CSCC[C@H](N)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000044750435 175244947 /nfs/dbraw/zinc/24/49/47/175244947.db2.gz FUAILZGGIBGVSQ-NSHDSACASA-N -1 3 282.365 1.712 10 0 CDAEHM NC1(C(=O)N[C@H]2CCC[C@H](C(=O)[O-])C2)CCCC1 ZINC000070557028 175985041 /nfs/dbraw/zinc/98/50/41/175985041.db2.gz UNUYSZUQPDCRSH-UWVGGRQHSA-N -1 3 254.330 1.018 10 0 CDAEHM NCc1cc(=O)[n-]c(-c2cc(Br)cs2)n1 ZINC000070681618 176001593 /nfs/dbraw/zinc/00/15/93/176001593.db2.gz WJGHPPCSFMWGEL-UHFFFAOYSA-N -1 3 286.154 1.720 10 0 CDAEHM COc1cc(=NC(=O)NCc2sccc2C)[n-]n1C ZINC000547515350 289783467 /nfs/dbraw/zinc/78/34/67/289783467.db2.gz PHMGGZCLUXIHNF-UHFFFAOYSA-N -1 3 280.353 1.542 10 0 CDAEHM CO[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cnccc1Cl ZINC000071204656 176079221 /nfs/dbraw/zinc/07/92/21/176079221.db2.gz MACMRCGZEYHJJL-ZJUUUORDSA-N -1 3 290.772 1.581 10 0 CDAEHM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(CN)s1 ZINC000071209951 176082124 /nfs/dbraw/zinc/08/21/24/176082124.db2.gz WDTTVODBYMBKAL-PSASIEDQSA-N -1 3 274.411 1.674 10 0 CDAEHM CC(C)(C)OC(=O)[C@@H](C(=O)[O-])[C@H](N)c1ccc(F)cc1 ZINC000071617898 176234757 /nfs/dbraw/zinc/23/47/57/176234757.db2.gz CKFBRKPEHTYRCM-GHMZBOCLSA-N -1 3 283.299 1.868 10 0 CDAEHM Nc1cccc(OCc2nc(-c3cnccn3)n[n-]2)c1 ZINC000072236691 176345677 /nfs/dbraw/zinc/34/56/77/176345677.db2.gz OQHVOFOOQYDDTF-UHFFFAOYSA-N -1 3 268.280 1.423 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@@H](C)C(OC)OC)c1 ZINC000079611871 177523987 /nfs/dbraw/zinc/52/39/87/177523987.db2.gz QEBMUYDOBZSGNS-QMMMGPOBSA-N -1 3 269.297 1.138 10 0 CDAEHM CO[C@H](C)CS(=O)(=O)[N-][C@H](CO)c1sccc1C ZINC000442999018 227217149 /nfs/dbraw/zinc/21/71/49/227217149.db2.gz KHKYJAGKHOZGJX-NXEZZACHSA-N -1 3 293.410 1.044 10 0 CDAEHM C[C@H]1CCCN1S(=O)(=O)[N-]c1cnn(C(C)(C)C)c1 ZINC000185220510 262302758 /nfs/dbraw/zinc/30/27/58/262302758.db2.gz GDBONIJJJUGSGF-JTQLQIEISA-N -1 3 286.401 1.779 10 0 CDAEHM Cc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)ncn1 ZINC000525966888 262355991 /nfs/dbraw/zinc/35/59/91/262355991.db2.gz BMOJYYNJDIAHDJ-NSHDSACASA-N -1 3 273.296 1.034 10 0 CDAEHM O=C(NCCC1(CO)CCC1)c1cc(F)cc2nn[n-]c21 ZINC000652932151 423903764 /nfs/dbraw/zinc/90/37/64/423903764.db2.gz FFOQKEJGVKOQSO-UHFFFAOYSA-N -1 3 292.314 1.380 10 0 CDAEHM O=C(NCCC1(CO)CCC1)c1cc(F)cc2[n-]nnc21 ZINC000652932151 423903773 /nfs/dbraw/zinc/90/37/73/423903773.db2.gz FFOQKEJGVKOQSO-UHFFFAOYSA-N -1 3 292.314 1.380 10 0 CDAEHM O=C(NCCC1(CO)CCC1)c1cc(F)cc2n[n-]nc21 ZINC000652932151 423903783 /nfs/dbraw/zinc/90/37/83/423903783.db2.gz FFOQKEJGVKOQSO-UHFFFAOYSA-N -1 3 292.314 1.380 10 0 CDAEHM COCC1(CNC(=O)c2cc(F)cc3nn[n-]c32)CC1 ZINC000655252603 424166709 /nfs/dbraw/zinc/16/67/09/424166709.db2.gz QPBRODKQCOGSNQ-UHFFFAOYSA-N -1 3 278.287 1.253 10 0 CDAEHM COCC1(CNC(=O)c2cc(F)cc3[n-]nnc32)CC1 ZINC000655252603 424166720 /nfs/dbraw/zinc/16/67/20/424166720.db2.gz QPBRODKQCOGSNQ-UHFFFAOYSA-N -1 3 278.287 1.253 10 0 CDAEHM COCC1(CNC(=O)c2cc(F)cc3n[n-]nc32)CC1 ZINC000655252603 424166733 /nfs/dbraw/zinc/16/67/33/424166733.db2.gz QPBRODKQCOGSNQ-UHFFFAOYSA-N -1 3 278.287 1.253 10 0 CDAEHM CC(C)N(C)CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000095151281 265296500 /nfs/dbraw/zinc/29/65/00/265296500.db2.gz PXUSULIAKOHPTA-UHFFFAOYSA-N -1 3 288.355 1.069 10 0 CDAEHM CC(C)N(C)CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000095151281 265296504 /nfs/dbraw/zinc/29/65/04/265296504.db2.gz PXUSULIAKOHPTA-UHFFFAOYSA-N -1 3 288.355 1.069 10 0 CDAEHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H]1CC12CCCC2 ZINC000519279645 265384049 /nfs/dbraw/zinc/38/40/49/265384049.db2.gz WIQWLDJZOKHRHQ-ZDUSSCGKSA-N -1 3 288.347 1.571 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)[C@@H]1CCCCO1 ZINC000655666746 424331940 /nfs/dbraw/zinc/33/19/40/424331940.db2.gz RPFUITFUFZDBMG-MNOVXSKESA-N -1 3 287.385 1.046 10 0 CDAEHM 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172387892 /nfs/dbraw/zinc/38/78/92/172387892.db2.gz GCHSTSBHJCGBLY-SKDRFNHKSA-N -1 3 271.338 1.238 10 0 CDAEHM CO[C@@H](CN1C[C@@H](C)O[C@@H](C(=O)[O-])C1)C1CCCC1 ZINC000656756476 413632851 /nfs/dbraw/zinc/63/28/51/413632851.db2.gz LNWPSDUZWXSRPS-KGYLQXTDSA-N -1 3 271.357 1.366 10 0 CDAEHM O=C([O-])COCCN1CCC([C@@H]2CCCCO2)CC1 ZINC000656767138 413658456 /nfs/dbraw/zinc/65/84/56/413658456.db2.gz CTSRZSNODHGCOE-ZDUSSCGKSA-N -1 3 271.357 1.369 10 0 CDAEHM COc1nc(C)cc(C)c1CN1CC2CC1(C(=O)[O-])C2 ZINC000656761267 413619447 /nfs/dbraw/zinc/61/94/47/413619447.db2.gz QZHKWFXMYVYPNP-UHFFFAOYSA-N -1 3 276.336 1.756 10 0 CDAEHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1ccccn1 ZINC000657057541 413880727 /nfs/dbraw/zinc/88/07/27/413880727.db2.gz HXFHCANJBVOSSJ-GFCCVEGCSA-N -1 3 284.381 1.565 10 0 CDAEHM O=S(=O)([N-][C@@H](CO)C1CCC1)c1ccccc1F ZINC000657057069 413881296 /nfs/dbraw/zinc/88/12/96/413881296.db2.gz ITZYDGABBIDCNZ-NSHDSACASA-N -1 3 273.329 1.265 10 0 CDAEHM CCOC(=O)[C@@H]1CCCCN1C(=O)c1ccc([O-])cc1 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CCC[C@H](C(=O)[O-])N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000663317030 414141115 /nfs/dbraw/zinc/14/11/15/414141115.db2.gz KFFLEXDIYAYHPZ-KBVBSXBZSA-N -1 3 265.300 1.984 10 0 CDAEHM CCn1ccnc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000655148476 414113442 /nfs/dbraw/zinc/11/34/42/414113442.db2.gz RWMHRYFDPCBXPS-UHFFFAOYSA-N -1 3 273.296 1.528 10 0 CDAEHM CC[C@@](C)(C(=O)[O-])N(Cc1nncn1C)CC1CC1 ZINC000659792449 414121526 /nfs/dbraw/zinc/12/15/26/414121526.db2.gz PGYNXXQEBZKNHS-ZDUSSCGKSA-N -1 3 266.345 1.280 10 0 CDAEHM Cc1ccc(C(=O)N(CCCO)C(C)C)c([O-])c1 ZINC000038098665 174113377 /nfs/dbraw/zinc/11/33/77/174113377.db2.gz UJDGPNRATXWXAU-UHFFFAOYSA-N -1 3 251.326 1.934 10 0 CDAEHM Cc1cccc(C(=O)N(CCCO)C(C)C)c1[O-] ZINC000038098664 174113790 /nfs/dbraw/zinc/11/37/90/174113790.db2.gz ZEUFYJZWPXMLOK-UHFFFAOYSA-N -1 3 251.326 1.934 10 0 CDAEHM NS(=O)(=O)c1ccccc1NC(=O)c1ccc([O-])cc1 ZINC000040380965 174250553 /nfs/dbraw/zinc/25/05/53/174250553.db2.gz HJOKACWMEDKIEH-UHFFFAOYSA-N -1 3 292.316 1.292 10 0 CDAEHM CC[C@@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)[O-] ZINC000040439598 174262775 /nfs/dbraw/zinc/26/27/75/174262775.db2.gz JWBLQDDHSDGEGR-WXHSDQCUSA-N -1 3 278.352 1.172 10 0 endogenous,in-vitro CDAEHM CC(C)[C@@H](N)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000040469522 174277584 /nfs/dbraw/zinc/27/75/84/174277584.db2.gz FYYIENMWMAGDAX-SNVBAGLBSA-N -1 3 270.716 1.960 10 0 CDAEHM CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000040479944 174284089 /nfs/dbraw/zinc/28/40/89/174284089.db2.gz HNYONFSESIYONP-WRWORJQWSA-N -1 3 268.288 1.836 10 0 CDAEHM CCC1CCC(NC(=O)[C@H](N)CC(C)C)(C(=O)[O-])CC1 ZINC000040481405 174285276 /nfs/dbraw/zinc/28/52/76/174285276.db2.gz VKBVXBDKLIFIPD-MQYJIDSJSA-N -1 3 284.400 1.900 10 0 CDAEHM CNCC(=O)N(CCC(=O)[O-])c1ccc(C)cc1 ZINC000040483741 174287052 /nfs/dbraw/zinc/28/70/52/174287052.db2.gz TZMNTLACSCPAPS-UHFFFAOYSA-N -1 3 250.298 1.022 10 0 CDAEHM CC[C@@H](N)C(=O)N(CCCC(=O)[O-])c1ccccc1 ZINC000040484203 174287805 /nfs/dbraw/zinc/28/78/05/174287805.db2.gz MUFQJDNKKJMPKY-GFCCVEGCSA-N -1 3 264.325 1.622 10 0 CDAEHM C[C@@](N)(C(=O)N[C@@H](C(=O)[O-])C1CCCCC1)C1CC1 ZINC000040486714 174289654 /nfs/dbraw/zinc/28/96/54/174289654.db2.gz GVDNLDZRJFLAED-RISCZKNCSA-N -1 3 268.357 1.264 10 0 CDAEHM CC(C)N(CCC(=O)[O-])C(=O)N(C)C1CCN(C)CC1 ZINC000040549554 174326873 /nfs/dbraw/zinc/32/68/73/174326873.db2.gz FEDXJRSCSYGIFO-UHFFFAOYSA-N -1 3 285.388 1.318 10 0 CDAEHM CO[C@H]1CN[C@H](C(=O)Nc2ccc(Cl)cc2C(=O)[O-])C1 ZINC000040636884 174361830 /nfs/dbraw/zinc/36/18/30/174361830.db2.gz MTCPAYJGZGPOJP-KCJUWKMLSA-N -1 3 298.726 1.354 10 0 CDAEHM CCC[C@](C)(NC(=O)N[C@H]1CCCN(C)C1)C(=O)[O-] ZINC000040716428 174383206 /nfs/dbraw/zinc/38/32/06/174383206.db2.gz QVOOAVSMBHAJIC-GWCFXTLKSA-N -1 3 271.361 1.023 10 0 CDAEHM COC(=O)[C@@H](C)CN(C)C(=O)c1ccc([O-])cc1 ZINC000042696654 174844518 /nfs/dbraw/zinc/84/45/18/174844518.db2.gz QZJJMGBFVBNDDU-VIFPVBQESA-N -1 3 251.282 1.273 10 0 CDAEHM O=C1NCCCC[C@H]1NCc1ccc([O-])c(Cl)c1 ZINC000043478366 175055266 /nfs/dbraw/zinc/05/52/66/175055266.db2.gz HXJWSCNGPLDRRS-LLVKDONJSA-N -1 3 268.744 1.804 10 0 CDAEHM O=S1(=O)CC[C@@H](CNCc2ccc([O-])c(Cl)c2)C1 ZINC000043488374 175056543 /nfs/dbraw/zinc/05/65/43/175056543.db2.gz XENHLKBQHKTLSE-JTQLQIEISA-N -1 3 289.784 1.570 10 0 CDAEHM CCCc1cc(=O)[n-]c(Sc2cc(N)ccn2)n1 ZINC000043569674 175068027 /nfs/dbraw/zinc/06/80/27/175068027.db2.gz DBUQWSXKMTXKMG-UHFFFAOYSA-N -1 3 262.338 1.851 10 0 CDAEHM CC(C)NCC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000043586244 175071638 /nfs/dbraw/zinc/07/16/38/175071638.db2.gz KYPXAWQCPIHYKL-NSHDSACASA-N -1 3 256.346 1.088 10 0 CDAEHM CCCC[C@H](N)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000043601410 175077799 /nfs/dbraw/zinc/07/77/99/175077799.db2.gz UGRWYFVYIRGGQA-UONOGXRCSA-N -1 3 290.363 1.715 10 0 CDAEHM C[C@H](Oc1ccc(Br)cc1CN)C(=O)[O-] ZINC000043623941 175080749 /nfs/dbraw/zinc/08/07/49/175080749.db2.gz LESKCAWUUSPKRX-LURJTMIESA-N -1 3 274.114 1.760 10 0 CDAEHM CC[C@@H](O)CN1CCc2sccc2[C@@H]1C(=O)[O-] ZINC000044592550 175213814 /nfs/dbraw/zinc/21/38/14/175213814.db2.gz XLIHSRQFDYSLEN-LDYMZIIASA-N -1 3 255.339 1.503 10 0 CDAEHM O=C([O-])[C@@H]1c2ccsc2CCN1CCN1CCOCC1 ZINC000044592304 175213912 /nfs/dbraw/zinc/21/39/12/175213912.db2.gz LKZJBNWTNDWTST-ZDUSSCGKSA-N -1 3 296.392 1.064 10 0 CDAEHM C[C@@H](CNC(=O)N(CC(=O)[O-])C1CC1)N1CCCCC1 ZINC000045013325 175290303 /nfs/dbraw/zinc/29/03/03/175290303.db2.gz TUDAEGWMNLUVEU-NSHDSACASA-N -1 3 283.372 1.119 10 0 CDAEHM Cc1cc(=O)n(C[C@H](C)N(C)C)c(C)c1C(=O)[O-] ZINC000045109412 175309448 /nfs/dbraw/zinc/30/94/48/175309448.db2.gz XJYKRMLIBLTKTC-VIFPVBQESA-N -1 3 252.314 1.113 10 0 CDAEHM COCCN(C[C@@](N)(C(=O)[O-])c1ccccc1)C1CC1 ZINC000045278020 175348355 /nfs/dbraw/zinc/34/83/55/175348355.db2.gz GBJYZPSDWBAEHO-HNNXBMFYSA-N -1 3 278.352 1.036 10 0 CDAEHM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(N)cs1 ZINC000070827300 176008203 /nfs/dbraw/zinc/00/82/03/176008203.db2.gz FZHLRHLBTLOSHC-CBAPKCEASA-N -1 3 260.384 1.797 10 0 CDAEHM CSc1cccc([N-]S(=O)(=O)c2c[nH]ccc2=O)c1 ZINC000071221143 176087066 /nfs/dbraw/zinc/08/70/66/176087066.db2.gz WFPVYBBQNUWZQT-UHFFFAOYSA-N -1 3 296.373 1.898 10 0 CDAEHM Cc1c(F)cccc1[N-]S(=O)(=O)c1c[nH]ccc1=O ZINC000071224909 176089270 /nfs/dbraw/zinc/08/92/70/176089270.db2.gz AGTOTSURNVRZEX-UHFFFAOYSA-N -1 3 282.296 1.623 10 0 CDAEHM CO[C@@H]1CN[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000071392114 176148819 /nfs/dbraw/zinc/14/88/19/176148819.db2.gz IMPFJMUPPYFPFV-KWQFWETISA-N -1 3 298.726 1.354 10 0 CDAEHM CCOc1ncccc1[N-]S(=O)(=O)N1CCC[C@H](C)C1 ZINC000078238282 177327648 /nfs/dbraw/zinc/32/76/48/177327648.db2.gz JOXSBNPSPIIHPI-NSHDSACASA-N -1 3 299.396 1.869 10 0 CDAEHM C[C@@H](C(=O)N1CCC[C@@]1(C)C(=O)[O-])N1[C@@H](C)CC[C@@H]1C ZINC000079479436 177499099 /nfs/dbraw/zinc/49/90/99/177499099.db2.gz KGBJVPJXLWYXAD-ASHKBJFXSA-N -1 3 282.384 1.713 10 0 CDAEHM COc1cc(=NC(=O)N(C)[C@@H](CO)CC(C)(C)C)[n-]n1C ZINC000652952230 423937904 /nfs/dbraw/zinc/93/79/04/423937904.db2.gz VFGAXECSRJZFAL-SNVBAGLBSA-N -1 3 298.387 1.111 10 0 CDAEHM COc1cc(C(=O)[N-]c2ncccc2SC)nn1C ZINC000652878144 424424372 /nfs/dbraw/zinc/42/43/72/424424372.db2.gz TYAVOMJCXYMRSL-UHFFFAOYSA-N -1 3 278.337 1.798 10 0 CDAEHM C[C@@]12COC[C@H]1CN(Cc1cc(=O)[n-]c(C3CC3)n1)C2 ZINC000661709107 424525368 /nfs/dbraw/zinc/52/53/68/424525368.db2.gz OWWUEZFQNQKRKN-IAQYHMDHSA-N -1 3 275.352 1.528 10 0 CDAEHM CC(C)(C)O[C@H]1C[C@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000653474764 424537137 /nfs/dbraw/zinc/53/71/37/424537137.db2.gz APKUVGDDIPWUMZ-KYZUINATSA-N -1 3 261.329 1.484 10 0 CDAEHM C[C@@H]1CCN(C(=O)c2cccc([O-])c2)[C@@H](C(N)=O)C1 ZINC000187025819 270268173 /nfs/dbraw/zinc/26/81/73/270268173.db2.gz LFBRASZLASRNLV-BXKDBHETSA-N -1 3 262.309 1.118 10 0 CDAEHM CCN=c1[n-]c(C(=O)N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cs1 ZINC000529975356 271082804 /nfs/dbraw/zinc/08/28/04/271082804.db2.gz MZPSWJGSCCEIQD-DKIAZLNASA-N -1 3 283.397 1.539 10 0 CDAEHM CO[C@]1(C(=O)[O-])CCN(CCOCC2CCCC2)C1 ZINC000530170171 271126576 /nfs/dbraw/zinc/12/65/76/271126576.db2.gz PZIJHMIYTKVORZ-CQSZACIVSA-N -1 3 271.357 1.369 10 0 CDAEHM CC(=O)c1ccc(C(=O)N[C@@H]2CCOC2(C)C)cc1[O-] ZINC000412380298 277109523 /nfs/dbraw/zinc/10/95/23/277109523.db2.gz YBIJUNNTNZKHHN-CYBMUJFWSA-N -1 3 277.320 1.892 10 0 CDAEHM COc1nc(NC(=O)c2cc(-c3cccnc3)on2)n[n-]1 ZINC000179369988 278085553 /nfs/dbraw/zinc/08/55/53/278085553.db2.gz DCZOBSVAEGXTOR-UHFFFAOYSA-N -1 3 286.251 1.116 10 0 CDAEHM CC1(C)C(=O)NCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000264724425 278178389 /nfs/dbraw/zinc/17/83/89/278178389.db2.gz YFDDXBVVYMZMNU-UHFFFAOYSA-N -1 3 299.330 1.291 10 0 CDAEHM C[C@@H]1c2ccccc2CN1C(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000341951310 279137016 /nfs/dbraw/zinc/13/70/16/279137016.db2.gz UFDDMSADFOJSAQ-SSDOTTSWSA-N -1 3 286.291 1.187 10 0 CDAEHM CC(C)C[C@H](CNC(=O)N(C)CCN(C)C1CC1)C(=O)[O-] ZINC000424426172 279148780 /nfs/dbraw/zinc/14/87/80/279148780.db2.gz SBOYBWUBUUZWJQ-GFCCVEGCSA-N -1 3 299.415 1.469 10 0 CDAEHM CC[C@H]1CN(C(=O)c2ccccc2[O-])C[C@]2(CCOC2)O1 ZINC000366543201 288275368 /nfs/dbraw/zinc/27/53/68/288275368.db2.gz ZSDGQRIOETZGTA-LRDDRELGSA-N -1 3 291.347 1.802 10 0 CDAEHM CCn1ncc(C[N-]S(=O)(=O)c2ccc(C)c(F)c2)n1 ZINC000528445869 281231877 /nfs/dbraw/zinc/23/18/77/281231877.db2.gz PQCMIYHPSVIVDT-UHFFFAOYSA-N -1 3 298.343 1.224 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)n1 ZINC000528790133 281284854 /nfs/dbraw/zinc/28/48/54/281284854.db2.gz WCOGTJUXUCTXND-XDAXGVFXSA-N -1 3 295.408 1.537 10 0 CDAEHM C[C@@H](CN(C)C(=O)CN1CC(=O)[N-]C1=O)C1CCCCC1 ZINC000530037826 281428561 /nfs/dbraw/zinc/42/85/61/281428561.db2.gz FJAUXDAUXCUULL-NSHDSACASA-N -1 3 295.383 1.213 10 0 CDAEHM C[C@@H](C(=O)N=c1cc(-c2ccncc2)[n-][nH]1)c1cnn(C)c1 ZINC000530942551 281639556 /nfs/dbraw/zinc/63/95/56/281639556.db2.gz XLIPHNGOMVTIIL-SNVBAGLBSA-N -1 3 296.334 1.369 10 0 CDAEHM CCC(CC)N(CC(C)C)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000156764503 289271416 /nfs/dbraw/zinc/27/14/16/289271416.db2.gz AXBXYORDVIRMNO-NSHDSACASA-N -1 3 283.372 1.258 10 0 CDAEHM CN(C)[C@@H]1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000174583319 289317100 /nfs/dbraw/zinc/31/71/00/289317100.db2.gz NWFBXESLOBJNCP-SNVBAGLBSA-N -1 3 291.376 1.893 10 0 CDAEHM COc1cc(=NC(=O)C(=O)c2ccc3c(c2)CCC3)[n-]n1C ZINC000547494380 289780627 /nfs/dbraw/zinc/78/06/27/289780627.db2.gz OJQOUXRKZJQIBU-UHFFFAOYSA-N -1 3 299.330 1.161 10 0 CDAEHM COc1cc(=NC(=O)[C@@H]2CSc3ccccc32)[n-]n1C ZINC000547815755 289811835 /nfs/dbraw/zinc/81/18/35/289811835.db2.gz CHNJZAAPOZYNBS-SNVBAGLBSA-N -1 3 289.360 1.679 10 0 CDAEHM COc1cc(=NC(=O)N(C)[C@@H](C)C2(C)CC2)[n-]n1C ZINC000547840603 289815435 /nfs/dbraw/zinc/81/54/35/289815435.db2.gz VMZFHKICZMEHDM-VIFPVBQESA-N -1 3 266.345 1.503 10 0 CDAEHM COc1cc(=NC(=O)c2c(C)[nH]c3ccccc32)[n-]n1C ZINC000548144977 289849850 /nfs/dbraw/zinc/84/98/50/289849850.db2.gz PXHBOLRMRQAMPZ-UHFFFAOYSA-N -1 3 284.319 1.893 10 0 CDAEHM COc1cc(=NC(=O)NC[C@H](C)c2ccccc2)[n-]n1C ZINC000548494988 289895445 /nfs/dbraw/zinc/89/54/45/289895445.db2.gz SSVCGCAHHBJHAD-NSHDSACASA-N -1 3 288.351 1.776 10 0 CDAEHM COCc1nc(C(=O)NCc2ccc([O-])c(F)c2)co1 ZINC000548496477 289895834 /nfs/dbraw/zinc/89/58/34/289895834.db2.gz YGVAEEBJDLYELY-UHFFFAOYSA-N -1 3 280.255 1.596 10 0 CDAEHM O=C(N=c1cc2ccccn2[n-]1)[C@H]1CCCc2n[nH]cc21 ZINC000553331082 290112885 /nfs/dbraw/zinc/11/28/85/290112885.db2.gz SUVZVPNSTCHIMF-NSHDSACASA-N -1 3 281.319 1.538 10 0 CDAEHM Cc1cc([N-]C(=O)[C@H](C)N2Cc3cccnc3C2)on1 ZINC000559763001 290459853 /nfs/dbraw/zinc/45/98/53/290459853.db2.gz LSENGGQHFMXTOU-JTQLQIEISA-N -1 3 272.308 1.721 10 0 CDAEHM O=C(N=c1cc2ccccn2[n-]1)N[C@H]1CCC[C@@H](CO)C1 ZINC000561139834 293053404 /nfs/dbraw/zinc/05/34/04/293053404.db2.gz RNOSBOLHXQQSSX-NEPJUHHUSA-N -1 3 288.351 1.429 10 0 CDAEHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cscn1 ZINC000563053078 293258142 /nfs/dbraw/zinc/25/81/42/293258142.db2.gz RVLCEGJUJZQFFS-VIFPVBQESA-N -1 3 278.399 1.627 10 0 CDAEHM O=C(NCc1ncccc1[O-])[C@H]1CCCSC1 ZINC000570980933 294345697 /nfs/dbraw/zinc/34/56/97/294345697.db2.gz VPEZQZNVXZFVDI-VIFPVBQESA-N -1 3 252.339 1.547 10 0 CDAEHM CCCn1cc(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)cn1 ZINC000574877705 295068236 /nfs/dbraw/zinc/06/82/36/295068236.db2.gz MMFSXHAJXKDXHQ-DGCLKSJQSA-N -1 3 265.357 1.836 10 0 CDAEHM C[C@H](C(=O)N1CCCCC1)N1CCCC[C@@H]1CC(=O)[O-] ZINC000038028068 298013449 /nfs/dbraw/zinc/01/34/49/298013449.db2.gz FKXRKNADZMJZAP-CHWSQXEVSA-N -1 3 282.384 1.717 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)[C@H]1C[C@@H]1C(F)F ZINC000563358655 316267485 /nfs/dbraw/zinc/26/74/85/316267485.db2.gz CAHODFWPPMLEOO-WHFBIAKZSA-N -1 3 259.212 1.036 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)[C@H]1C[C@@H]1C(F)F ZINC000563358655 316267488 /nfs/dbraw/zinc/26/74/88/316267488.db2.gz CAHODFWPPMLEOO-WHFBIAKZSA-N -1 3 259.212 1.036 10 0 CDAEHM CCOC(=O)C[C@H](C)C[N-]S(=O)(=O)c1cscn1 ZINC000569807742 316852201 /nfs/dbraw/zinc/85/22/01/316852201.db2.gz SEUKNXMRRAWFSC-QMMMGPOBSA-N -1 3 292.382 1.011 10 0 CDAEHM Cc1c(=O)[n-]cnc1NC[C@@H](O)CC1CCCC1 ZINC000576208664 317095633 /nfs/dbraw/zinc/09/56/33/317095633.db2.gz 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/nfs/dbraw/zinc/73/77/74/342737774.db2.gz OWZYTCSTVHQVKI-JTQLQIEISA-N -1 3 265.309 1.630 10 0 CDAEHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H]1CO[C@H](C2CC2)C1 ZINC000625577757 342190000 /nfs/dbraw/zinc/19/00/00/342190000.db2.gz FUIOSWBEIXPBCQ-YPMHNXCESA-N -1 3 299.367 1.980 10 0 CDAEHM C[C@H](CN=c1[n-]c(C(N)=O)cs1)c1ccncc1 ZINC000644937875 361950398 /nfs/dbraw/zinc/95/03/98/361950398.db2.gz WAKXTOCUWUIURC-MRVPVSSYSA-N -1 3 262.338 1.275 10 0 CDAEHM C[C@H](C(=O)N1CCCC[C@H]1C(=O)[O-])[C@@H](N)c1ccccc1 ZINC000130538924 342226111 /nfs/dbraw/zinc/22/61/11/342226111.db2.gz VIDLWPPDQVCAGT-FPMFFAJLSA-N -1 3 290.363 1.788 10 0 CDAEHM C[N-]S(=O)(=O)c1occc1-c1cccc(F)c1 ZINC000675053775 539069215 /nfs/dbraw/zinc/06/92/15/539069215.db2.gz KXUBUIHRYIVZBO-UHFFFAOYSA-N -1 3 255.270 1.994 10 0 CDAEHM Cc1cccc(C[N-]S(=O)(=O)c2cncc(F)c2)n1 ZINC000588905286 342224120 /nfs/dbraw/zinc/22/41/20/342224120.db2.gz ZHZPNMNREZOFAD-UHFFFAOYSA-N -1 3 281.312 1.403 10 0 CDAEHM CC(C)CCc1nnc([N-]C(=O)c2cn(C)nn2)s1 ZINC000617094149 342903675 /nfs/dbraw/zinc/90/36/75/342903675.db2.gz GEUKUXAZFQCTMW-UHFFFAOYSA-N -1 3 280.357 1.508 10 0 CDAEHM O=C(Cc1cncc([O-])c1)NCC[C@H]1CC1(F)F ZINC000622194266 342263256 /nfs/dbraw/zinc/26/32/56/342263256.db2.gz RACOBBLNZLBHDN-VIFPVBQESA-N -1 3 256.252 1.491 10 0 CDAEHM O=C(NC[C@H](O)C(F)F)c1cc([O-])c2ccccc2c1 ZINC000356341047 539105003 /nfs/dbraw/zinc/10/50/03/539105003.db2.gz MOCBZVXUEIQVAK-LBPRGKRZSA-N -1 3 281.258 1.901 10 0 CDAEHM C[C@@H](NC(=O)c1c([O-])cccc1O)[C@@H]1CCCO1 ZINC000125640742 187194192 /nfs/dbraw/zinc/19/41/92/187194192.db2.gz PMCUOAHKEYRTFF-KCJUWKMLSA-N -1 3 251.282 1.395 10 0 CDAEHM NC(=O)N1CC[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000281048629 539128270 /nfs/dbraw/zinc/12/82/70/539128270.db2.gz XSSOMVLPJBWUCB-LBPRGKRZSA-N -1 3 299.330 1.428 10 0 CDAEHM C[C@@H]1CCCN1S(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC000185258540 539146784 /nfs/dbraw/zinc/14/67/84/539146784.db2.gz VLBCFLDVNUKTBW-SNVBAGLBSA-N -1 3 284.385 1.434 10 0 CDAEHM O=C([O-])C12CC(C1)CN2CC[S@@](=O)c1ccccc1 ZINC000594734042 342949511 /nfs/dbraw/zinc/94/95/11/342949511.db2.gz MTOGIZGTKRJQKL-IEIOZUMXSA-N -1 3 279.361 1.343 10 0 CDAEHM COc1cc(C(=O)NCC2CCC(O)CC2)ccc1[O-] ZINC000619414358 349692813 /nfs/dbraw/zinc/69/28/13/349692813.db2.gz UQTFEBZBLJLKIG-UHFFFAOYSA-N -1 3 279.336 1.682 10 0 CDAEHM O=c1cc(CN2CCN(CCCF)CC2)nc(C2CC2)[n-]1 ZINC000626069602 342298451 /nfs/dbraw/zinc/29/84/51/342298451.db2.gz CDQHPHIXRNPYOQ-UHFFFAOYSA-N -1 3 294.374 1.537 10 0 CDAEHM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000594863448 342965103 /nfs/dbraw/zinc/96/51/03/342965103.db2.gz DNMBQCCVZXUHJU-NSHDSACASA-N -1 3 293.316 1.158 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)[C@@H]2CCOC[C@@H]2C)[n-]1 ZINC000619446524 349718886 /nfs/dbraw/zinc/71/88/86/349718886.db2.gz NCPQHYLDDCPBJW-DTWKUNHWSA-N -1 3 281.312 1.198 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)[C@@H]2CCOC[C@@H]2C)c[n-]1 ZINC000619446524 349718888 /nfs/dbraw/zinc/71/88/88/349718888.db2.gz NCPQHYLDDCPBJW-DTWKUNHWSA-N -1 3 281.312 1.198 10 0 CDAEHM COc1cc(C(=O)N2C[C@@H](C)C(O)[C@H](C)C2)ccc1[O-] ZINC000618272966 342312358 /nfs/dbraw/zinc/31/23/58/342312358.db2.gz TVUQUCDZQMYUNK-NXEZZACHSA-N -1 3 279.336 1.490 10 0 CDAEHM Cc1ccc(C(=O)N2C[C@H](C)C(O)[C@@H](C)C2)c([O-])c1 ZINC000618273328 342328013 /nfs/dbraw/zinc/32/80/13/342328013.db2.gz ZSMAWXGJQIVEGI-QWRGUYRKSA-N -1 3 263.337 1.790 10 0 CDAEHM Cc1noc([C@H]2CN([C@H](CC(C)C)C(=O)[O-])CCN2C)n1 ZINC000629487948 362095367 /nfs/dbraw/zinc/09/53/67/362095367.db2.gz FCILCNLURJRAPC-VXGBXAGGSA-N -1 3 296.371 1.166 10 0 CDAEHM COC(=O)[C@@](C)(CCF)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000595772871 343147976 /nfs/dbraw/zinc/14/79/76/343147976.db2.gz OHCGZZVSEZUXDO-CQSZACIVSA-N -1 3 297.330 1.441 10 0 CDAEHM O=c1cc(CN2CCCC3(CC3)CC2)nc2cc[n-]n21 ZINC000626114694 342356981 /nfs/dbraw/zinc/35/69/81/342356981.db2.gz PMQSDUPFNJXNGV-UHFFFAOYSA-N -1 3 272.352 1.789 10 0 CDAEHM CCSCC[C@H](C)[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000080766795 342360382 /nfs/dbraw/zinc/36/03/82/342360382.db2.gz HHBYIGNWTNZMSM-JTQLQIEISA-N -1 3 291.442 1.713 10 0 CDAEHM CCc1cccc(C(=O)NC[C@@H]2CCC[C@H]2O)c1[O-] ZINC000086334221 342384599 /nfs/dbraw/zinc/38/45/99/342384599.db2.gz YOFDNZFIINERBY-WCQYABFASA-N -1 3 263.337 1.845 10 0 CDAEHM Cc1cc([N-]C(=O)[C@H](C)N2CC[C@H](C)[C@H](O)C2)on1 ZINC000093332636 342421724 /nfs/dbraw/zinc/42/17/24/342421724.db2.gz SCYFYPLBLATRLQ-INTQDDNPSA-N -1 3 267.329 1.013 10 0 CDAEHM COc1cc2c(cc1C)[C@@]([O-])(C(F)(F)F)C(=O)N2 ZINC000207313867 342440092 /nfs/dbraw/zinc/44/00/92/342440092.db2.gz ZBVMRCQPGRIUHU-JTQLQIEISA-N -1 3 261.199 1.706 10 0 CDAEHM COC[C@]1(C(=O)[O-])CCCN1CCOCCC(C)C ZINC000643879579 362184198 /nfs/dbraw/zinc/18/41/98/362184198.db2.gz WEQMHHCXLBNRNM-AWEZNQCLSA-N -1 3 273.373 1.615 10 0 CDAEHM CCOc1ccccc1C(=O)Nc1nnc(OC)[n-]1 ZINC000126787681 187262390 /nfs/dbraw/zinc/26/23/90/187262390.db2.gz AOPHQPHATOETLL-UHFFFAOYSA-N -1 3 262.269 1.464 10 0 CDAEHM CCOc1ccccc1C(=O)Nc1n[n-]c(OC)n1 ZINC000126787681 187262391 /nfs/dbraw/zinc/26/23/91/187262391.db2.gz AOPHQPHATOETLL-UHFFFAOYSA-N -1 3 262.269 1.464 10 0 CDAEHM CCOc1ccccc1C(=O)Nc1nc(OC)n[n-]1 ZINC000126787681 187262393 /nfs/dbraw/zinc/26/23/93/187262393.db2.gz AOPHQPHATOETLL-UHFFFAOYSA-N -1 3 262.269 1.464 10 0 CDAEHM CC[C@@H](NC(=O)c1c(C)cccc1[O-])C(=O)OC ZINC000599644460 344112135 /nfs/dbraw/zinc/11/21/35/344112135.db2.gz ATYNRCVMORPXPI-SECBINFHSA-N -1 3 251.282 1.382 10 0 CDAEHM CCc1cccc(C(=O)N2CCN(C(C)=O)C[C@@H]2C)c1[O-] ZINC000536733251 282341611 /nfs/dbraw/zinc/34/16/11/282341611.db2.gz ROVANMNLRXOVHO-NSHDSACASA-N -1 3 290.363 1.647 10 0 CDAEHM Cc1cccc([O-])c1NC(=O)c1cn2cccnc2n1 ZINC000536738691 282342053 /nfs/dbraw/zinc/34/20/53/282342053.db2.gz ITGYDYSYHJXSRU-UHFFFAOYSA-N -1 3 268.276 1.996 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCN2C2CC2)o1 ZINC000571393205 362483892 /nfs/dbraw/zinc/48/38/92/362483892.db2.gz FYCSEIVBWFYUNB-ZDUSSCGKSA-N -1 3 298.408 1.883 10 0 CDAEHM CO[C@]1(C)CCCN(Cc2nc(C)cc(=O)[n-]2)C1 ZINC001658512459 1172045806 /nfs/dbraw/zinc/04/58/06/1172045806.db2.gz QUVSKSROKCFPBV-CYBMUJFWSA-N -1 3 251.330 1.492 10 0 CDAEHM CO[C@@H](CNC(=O)c1ccc([O-])c(C)c1)[C@@H]1CCOC1 ZINC000617136227 344922276 /nfs/dbraw/zinc/92/22/76/344922276.db2.gz WRZRHONDKFTRFP-OCCSQVGLSA-N -1 3 279.336 1.482 10 0 CDAEHM COCc1ncsc1C(=O)[N-]c1nnc(C2CC2)n1C ZINC000617284143 345123322 /nfs/dbraw/zinc/12/33/22/345123322.db2.gz VTWWUNATRVHVOE-UHFFFAOYSA-N -1 3 293.352 1.548 10 0 CDAEHM CCCc1nc(C(=O)[N-]c2nnc(C3CC3)n2C)co1 ZINC000617285530 345125490 /nfs/dbraw/zinc/12/54/90/345125490.db2.gz LTBDVILLEJECKA-UHFFFAOYSA-N -1 3 275.312 1.885 10 0 CDAEHM O=[N+]([O-])c1c(NCc2cnn[n-]2)nc2sccn21 ZINC000398290115 345280697 /nfs/dbraw/zinc/28/06/97/345280697.db2.gz AQBYGNCRNFHINX-UHFFFAOYSA-N -1 3 265.258 1.034 10 0 CDAEHM Cc1ccc([C@@H](O)[C@@H](N)C(=O)[O-])c(Br)c1 ZINC000129663075 345784269 /nfs/dbraw/zinc/78/42/69/345784269.db2.gz DMYJQNQCEDUAMA-RKDXNWHRSA-N -1 3 274.114 1.203 10 0 CDAEHM Cc1ccncc1CCNC(=O)Cc1cncc([O-])c1 ZINC000617651508 345895774 /nfs/dbraw/zinc/89/57/74/345895774.db2.gz WXVGZOCUCXASJQ-UHFFFAOYSA-N -1 3 271.320 1.392 10 0 CDAEHM O=C(N[C@H]1Cc2cncn2C1)c1cc2c(cc1[O-])CCCC2 ZINC000623263859 345885349 /nfs/dbraw/zinc/88/53/49/345885349.db2.gz ZQUKLPSDZJFFSR-ZDUSSCGKSA-N -1 3 297.358 1.822 10 0 CDAEHM C[C@@H](CN1CCCCC1)NC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000085338684 179025028 /nfs/dbraw/zinc/02/50/28/179025028.db2.gz UAVJGCJOGCJQDE-RWMBFGLXSA-N -1 3 297.399 1.413 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000085324228 179017352 /nfs/dbraw/zinc/01/73/52/179017352.db2.gz XBYCGYLRGNCVMA-NAKRPEOUSA-N -1 3 256.346 1.119 10 0 CDAEHM O=C(N=c1cc2ccccn2[n-]1)N1CC2(C1)CCCO2 ZINC000626561289 346639630 /nfs/dbraw/zinc/63/96/30/346639630.db2.gz CESSZMFABXNNMM-UHFFFAOYSA-N -1 3 272.308 1.153 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000085811375 179177463 /nfs/dbraw/zinc/17/74/63/179177463.db2.gz LHAPJSHUQJWWEP-MRVPVSSYSA-N -1 3 292.213 1.326 10 0 CDAEHM N[C@H](CCC(=O)[O-])C(=O)Nc1ccccc1OC(F)F ZINC000085818809 179182218 /nfs/dbraw/zinc/18/22/18/179182218.db2.gz YLBKSPYELHWUEI-SSDOTTSWSA-N -1 3 288.250 1.419 10 0 CDAEHM CCCCCC[C@@H](C)NC(=O)[C@H](N)CCC(=O)[O-] ZINC000085819711 179183049 /nfs/dbraw/zinc/18/30/49/179183049.db2.gz RKZLWNSSFZDITK-GHMZBOCLSA-N -1 3 258.362 1.654 10 0 CDAEHM Cc1nc(C)c([C@@H](C)NC(=O)[C@H](N)CCC(=O)[O-])s1 ZINC000085841635 179184626 /nfs/dbraw/zinc/18/46/26/179184626.db2.gz YXPDEAQWCDBPBZ-VXNVDRBHSA-N -1 3 285.369 1.129 10 0 CDAEHM CCN(Cc1cccs1)C(=O)[C@H](N)CCC(=O)[O-] ZINC000085838845 179185041 /nfs/dbraw/zinc/18/50/41/179185041.db2.gz CWOSKDGBAZKAQN-SNVBAGLBSA-N -1 3 270.354 1.289 10 0 CDAEHM N[C@@H](CCC(=O)[O-])C(=O)NCc1nc2ccccc2s1 ZINC000085841969 179185317 /nfs/dbraw/zinc/18/53/17/179185317.db2.gz YMSVZRAEHGDJFQ-QMMMGPOBSA-N -1 3 293.348 1.105 10 0 CDAEHM CN(Cc1ccccc1Cl)C(=O)[C@H](N)CC(=O)[O-] ZINC000085815338 179179561 /nfs/dbraw/zinc/17/95/61/179179561.db2.gz KYDDZGUFYWTJSF-SNVBAGLBSA-N -1 3 270.716 1.100 10 0 CDAEHM CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c[nH]nc2N)[C@@H]1C ZINC000086082974 179228295 /nfs/dbraw/zinc/22/82/95/179228295.db2.gz DRZJCOPYWFOBED-HLTSFMKQSA-N -1 3 272.374 1.095 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)n[n-]1 ZINC000450550949 362833740 /nfs/dbraw/zinc/83/37/40/362833740.db2.gz YUVLQCMNFXPEHR-HRDYMLBCSA-N -1 3 252.318 1.824 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)[n-]1 ZINC000450550949 362833745 /nfs/dbraw/zinc/83/37/45/362833745.db2.gz YUVLQCMNFXPEHR-HRDYMLBCSA-N -1 3 252.318 1.824 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)n1 ZINC000450550949 362833750 /nfs/dbraw/zinc/83/37/50/362833750.db2.gz YUVLQCMNFXPEHR-HRDYMLBCSA-N -1 3 252.318 1.824 10 0 CDAEHM COc1cc(=NC(=O)Cc2cc(C)cc(C)c2)[n-]n1C ZINC000613617285 347802422 /nfs/dbraw/zinc/80/24/22/347802422.db2.gz WCOYPLCUOAFSTP-UHFFFAOYSA-N -1 3 273.336 1.649 10 0 CDAEHM CO[C@H](C(=O)[N-]c1nncn1C1CC1)C1CCCC1 ZINC000614580799 348162477 /nfs/dbraw/zinc/16/24/77/348162477.db2.gz CTZONFKXKITQKN-NSHDSACASA-N -1 3 264.329 1.757 10 0 CDAEHM Cn1ccnc1CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000273341564 192118651 /nfs/dbraw/zinc/11/86/51/192118651.db2.gz WFFZANNXYYUPAQ-UHFFFAOYSA-N -1 3 285.347 1.935 10 0 CDAEHM CC[C@H](C(=O)[N-]c1nnc2[nH]cnn12)c1c(C)noc1C ZINC000614991292 348295519 /nfs/dbraw/zinc/29/55/19/348295519.db2.gz PHDKIOHTCIPOPR-QMMMGPOBSA-N -1 3 289.299 1.190 10 0 CDAEHM O=C([N-]c1nnc2[nH]cnn12)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000614993165 348296759 /nfs/dbraw/zinc/29/67/59/348296759.db2.gz DLWYMFFBCCOBCH-NTSWFWBYSA-N -1 3 288.233 1.370 10 0 CDAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CC[C@@H]1C(F)(F)F ZINC000615028581 348310831 /nfs/dbraw/zinc/31/08/31/348310831.db2.gz BYNOXVBGPNWWQH-MRVPVSSYSA-N -1 3 288.204 1.874 10 0 CDAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CC[C@@H]1C(F)(F)F ZINC000615028581 348310833 /nfs/dbraw/zinc/31/08/33/348310833.db2.gz BYNOXVBGPNWWQH-MRVPVSSYSA-N -1 3 288.204 1.874 10 0 CDAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CC[C@@H]1C(F)(F)F ZINC000615028581 348310835 /nfs/dbraw/zinc/31/08/35/348310835.db2.gz BYNOXVBGPNWWQH-MRVPVSSYSA-N -1 3 288.204 1.874 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)N1CCC12COC2 ZINC000615917460 348994799 /nfs/dbraw/zinc/99/47/99/348994799.db2.gz OJNOPHZBFMUJJY-UHFFFAOYSA-N -1 3 251.257 1.075 10 0 CDAEHM CCOC(=O)c1nnc(CNC(=O)c2ccccc2F)[n-]1 ZINC000615918913 348999065 /nfs/dbraw/zinc/99/90/65/348999065.db2.gz GQYRYNQHAXIXEI-UHFFFAOYSA-N -1 3 292.270 1.051 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CCC[C@H]1c1cn[nH]c1 ZINC000615891367 348955179 /nfs/dbraw/zinc/95/51/79/348955179.db2.gz LDKQVEXWPXXRTF-ZDUSSCGKSA-N -1 3 272.308 1.417 10 0 CDAEHM COCCN1CCC[C@@H]1CNC(=O)c1ccc(C)cc1[O-] ZINC000069529899 349103725 /nfs/dbraw/zinc/10/37/25/349103725.db2.gz PGPBTRFVYIRSPK-CYBMUJFWSA-N -1 3 292.379 1.541 10 0 CDAEHM C[C@@H](CO)Oc1cc([O-])cc(C(=O)Nc2nccs2)c1 ZINC000090697456 180027034 /nfs/dbraw/zinc/02/70/34/180027034.db2.gz BHOFDPVMXSZUKN-QMMMGPOBSA-N -1 3 294.332 1.861 10 0 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/nfs/dbraw/zinc/21/21/85/378212185.db2.gz MXNHLTJJSREVDN-GFCCVEGCSA-N -1 3 278.308 1.350 10 0 CDAEHM C[C@@H]1CCC[C@@]1(C)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633521403 378512157 /nfs/dbraw/zinc/51/21/57/378512157.db2.gz QEJGEJJDZMKZKC-AMIZOPFISA-N -1 3 265.313 1.330 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(=O)[nH]1)C1(C(F)(F)F)CCC1 ZINC000633521660 378513325 /nfs/dbraw/zinc/51/33/25/378513325.db2.gz TWIUBZXLEYWHEE-UHFFFAOYSA-N -1 3 291.229 1.237 10 0 CDAEHM CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000633605307 378584079 /nfs/dbraw/zinc/58/40/79/378584079.db2.gz ZBPSVEXPUYRCAT-GFCCVEGCSA-N -1 3 282.727 1.995 10 0 CDAEHM COCCCO[N-]C(=O)Nc1cc(OC)ccc1F ZINC000288722000 197152685 /nfs/dbraw/zinc/15/26/85/197152685.db2.gz BDIBMHFFPRSRJD-UHFFFAOYSA-N -1 3 272.276 1.924 10 0 CDAEHM Cc1cc(C[C@@H](C)NC(=O)C(=O)c2ccc([O-])cc2)n[nH]1 ZINC000281114902 195110024 /nfs/dbraw/zinc/11/00/24/195110024.db2.gz XBFKBPCMHOBAOX-SECBINFHSA-N -1 3 287.319 1.354 10 0 CDAEHM Cc1nc2[nH]ccc2c(N2CCC[C@H]2c2nc(=N)n(C)[n-]2)n1 ZINC000663961164 412981209 /nfs/dbraw/zinc/98/12/09/412981209.db2.gz FXUXADXZLXGUDM-JTQLQIEISA-N -1 3 298.354 1.149 10 0 CDAEHM COCCCON=C([O-])Nc1cc(OC)ccc1F ZINC000288722000 197152683 /nfs/dbraw/zinc/15/26/83/197152683.db2.gz BDIBMHFFPRSRJD-UHFFFAOYSA-N -1 3 272.276 1.924 10 0 CDAEHM COc1nnc(NC(=O)Cc2c(C)[nH]c3ccccc32)[n-]1 ZINC000158175324 533184559 /nfs/dbraw/zinc/18/45/59/533184559.db2.gz WNLTVJGXZSFABO-UHFFFAOYSA-N -1 3 285.307 1.784 10 0 CDAEHM COc1nc(NC(=O)Cc2c(C)[nH]c3ccccc32)n[n-]1 ZINC000158175324 533184567 /nfs/dbraw/zinc/18/45/67/533184567.db2.gz WNLTVJGXZSFABO-UHFFFAOYSA-N -1 3 285.307 1.784 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2c(C)[nH]c3ccccc32)n1 ZINC000158175324 533184573 /nfs/dbraw/zinc/18/45/73/533184573.db2.gz WNLTVJGXZSFABO-UHFFFAOYSA-N -1 3 285.307 1.784 10 0 CDAEHM COc1nnc(NC(=O)C2(c3ccc(F)cc3)CC2)[n-]1 ZINC000158183632 533184773 /nfs/dbraw/zinc/18/47/73/533184773.db2.gz QDHRDHSXAZHOHT-UHFFFAOYSA-N -1 3 276.271 1.623 10 0 CDAEHM COc1nc(NC(=O)C2(c3ccc(F)cc3)CC2)n[n-]1 ZINC000158183632 533184777 /nfs/dbraw/zinc/18/47/77/533184777.db2.gz QDHRDHSXAZHOHT-UHFFFAOYSA-N -1 3 276.271 1.623 10 0 CDAEHM COc1n[n-]c(NC(=O)C2(c3ccc(F)cc3)CC2)n1 ZINC000158183632 533184782 /nfs/dbraw/zinc/18/47/82/533184782.db2.gz QDHRDHSXAZHOHT-UHFFFAOYSA-N -1 3 276.271 1.623 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](C)n2cnc3ccccc32)[n-]1 ZINC000158281328 533185381 /nfs/dbraw/zinc/18/53/81/533185381.db2.gz XJBIXXWCGIZVMN-MRVPVSSYSA-N -1 3 286.295 1.363 10 0 CDAEHM COc1nc(NC(=O)[C@@H](C)n2cnc3ccccc32)n[n-]1 ZINC000158281328 533185386 /nfs/dbraw/zinc/18/53/86/533185386.db2.gz XJBIXXWCGIZVMN-MRVPVSSYSA-N -1 3 286.295 1.363 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](C)n2cnc3ccccc32)n1 ZINC000158281328 533185390 /nfs/dbraw/zinc/18/53/90/533185390.db2.gz XJBIXXWCGIZVMN-MRVPVSSYSA-N -1 3 286.295 1.363 10 0 CDAEHM CN1C[C@H]2[C@@H](CCN2C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000646934534 390309474 /nfs/dbraw/zinc/30/94/74/390309474.db2.gz UZRRKUCBINKXHC-NHYWBVRUSA-N 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JZFCEYXGTYGWGO-SNVBAGLBSA-N -1 3 293.371 1.708 10 0 CDAEHM CCC[C@@H](C(=O)Nc1nn[n-]c1C(=O)NC1CC1)C(C)C ZINC000415781719 391205835 /nfs/dbraw/zinc/20/58/35/391205835.db2.gz JZFCEYXGTYGWGO-SNVBAGLBSA-N -1 3 293.371 1.708 10 0 CDAEHM CCC[C@@H](C(=O)Nc1n[n-]nc1C(=O)NC1CC1)C(C)C ZINC000415781719 391205838 /nfs/dbraw/zinc/20/58/38/391205838.db2.gz JZFCEYXGTYGWGO-SNVBAGLBSA-N -1 3 293.371 1.708 10 0 CDAEHM CC(C)OCC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352983714 391319617 /nfs/dbraw/zinc/31/96/17/391319617.db2.gz JIUBGHWBKHRUHW-JTQLQIEISA-N -1 3 253.302 1.047 10 0 CDAEHM C[C@H]1CCC[C@H](OCC(=O)NCc2ncccc2[O-])C1 ZINC000525948388 391452628 /nfs/dbraw/zinc/45/26/28/391452628.db2.gz LJDYLDISRFEBCI-RYUDHWBXSA-N -1 3 278.352 1.999 10 0 CDAEHM CCc1ccc(C(=O)N(C)CC(=O)NC(C)(C)C)c([O-])c1 ZINC000188756902 391512867 /nfs/dbraw/zinc/51/28/67/391512867.db2.gz KWTVUKKFEAGPOO-UHFFFAOYSA-N -1 3 292.379 1.941 10 0 CDAEHM CC(C)N(C)C[C@@H](C)N=c1[n-]c(C2CCOCC2)no1 ZINC000413294757 391741478 /nfs/dbraw/zinc/74/14/78/391741478.db2.gz DGBOLRUFKLMZSU-LLVKDONJSA-N -1 3 282.388 1.526 10 0 CDAEHM CCC1CCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CC1 ZINC000407988242 391801235 /nfs/dbraw/zinc/80/12/35/391801235.db2.gz GWQJDZYORUMFCJ-UHFFFAOYSA-N -1 3 278.356 1.510 10 0 CDAEHM CN1CCOC[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000408036118 391853041 /nfs/dbraw/zinc/85/30/41/391853041.db2.gz POHCRUMMAPJGRM-JTQLQIEISA-N -1 3 270.716 1.315 10 0 CDAEHM C[C@H]1CCC[C@@H](CCNC(=O)C(=O)[N-]c2cnns2)C1 ZINC000430044609 391889999 /nfs/dbraw/zinc/88/99/99/391889999.db2.gz IFOMMYYOLOAWBN-UWVGGRQHSA-N -1 3 296.396 1.809 10 0 CDAEHM CCCOc1cccnc1C(=O)Nc1nnc(OC)[n-]1 ZINC000430280283 391912474 /nfs/dbraw/zinc/91/24/74/391912474.db2.gz VXYZJDFDJIXMEG-UHFFFAOYSA-N -1 3 277.284 1.249 10 0 CDAEHM CCCOc1cccnc1C(=O)Nc1n[n-]c(OC)n1 ZINC000430280283 391912487 /nfs/dbraw/zinc/91/24/87/391912487.db2.gz VXYZJDFDJIXMEG-UHFFFAOYSA-N -1 3 277.284 1.249 10 0 CDAEHM CCCOc1cccnc1C(=O)Nc1nc(OC)n[n-]1 ZINC000430280283 391912489 /nfs/dbraw/zinc/91/24/89/391912489.db2.gz VXYZJDFDJIXMEG-UHFFFAOYSA-N -1 3 277.284 1.249 10 0 CDAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)C1CCOCC1 ZINC000525967575 392008427 /nfs/dbraw/zinc/00/84/27/392008427.db2.gz RVKOAKIUPQBDKV-LLVKDONJSA-N -1 3 265.313 1.048 10 0 CDAEHM Cn1[n-]nnc1=NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000525192574 391965369 /nfs/dbraw/zinc/96/53/69/391965369.db2.gz MOBOFSODVOGLGH-CMPLNLGQSA-N -1 3 292.412 1.189 10 0 CDAEHM Cc1ccccc1CNC(=O)[C@H](C)N(C)CCCC(=O)[O-] ZINC000430671805 392039863 /nfs/dbraw/zinc/03/98/63/392039863.db2.gz RLXTZFIEYUCNHE-ZDUSSCGKSA-N -1 3 292.379 1.796 10 0 CDAEHM Cc1sc(N(C)C[C@H]2CCCN(C)C2)nc1C(=O)[O-] ZINC000649386312 392152194 /nfs/dbraw/zinc/15/21/94/392152194.db2.gz QLGRRISWSCTIPI-JTQLQIEISA-N -1 3 283.397 1.928 10 0 CDAEHM CCCc1nnc([N-]C(=O)c2cn(C(C)C)nn2)s1 ZINC000432415686 392215189 /nfs/dbraw/zinc/21/51/89/392215189.db2.gz WYJRYIIDHZBAJD-UHFFFAOYSA-N -1 3 280.357 1.915 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1cnn(C2CC2)c1 ZINC000529220667 392282968 /nfs/dbraw/zinc/28/29/68/392282968.db2.gz AXXPOJNCLSSING-UHFFFAOYSA-N -1 3 258.281 1.249 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)[n-]1 ZINC000158896284 392459700 /nfs/dbraw/zinc/45/97/00/392459700.db2.gz SUULSLLMNOGVNV-MRVPVSSYSA-N -1 3 292.295 1.228 10 0 CDAEHM COc1nc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)n[n-]1 ZINC000158896284 392459702 /nfs/dbraw/zinc/45/97/02/392459702.db2.gz SUULSLLMNOGVNV-MRVPVSSYSA-N -1 3 292.295 1.228 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)n1 ZINC000158896284 392459705 /nfs/dbraw/zinc/45/97/05/392459705.db2.gz SUULSLLMNOGVNV-MRVPVSSYSA-N -1 3 292.295 1.228 10 0 CDAEHM Cc1c(C(=O)Nc2ccccc2[O-])nn2c1OCCC2 ZINC000448765639 392525910 /nfs/dbraw/zinc/52/59/10/392525910.db2.gz ZETWCRXFMLQFBO-UHFFFAOYSA-N -1 3 273.292 1.932 10 0 CDAEHM CC/C=C(\C)C(=O)NC[C@H](NC(=O)c1cn[n-]n1)C(C)C ZINC001582900342 1172706967 /nfs/dbraw/zinc/70/69/67/1172706967.db2.gz QOTRCNZAXFJUAS-RUYJGKKWSA-N -1 3 293.371 1.032 10 0 CDAEHM CC(C)(CNC(=O)c1cccc([O-])c1)[C@@]1(O)CCOC1 ZINC000649098551 392754601 /nfs/dbraw/zinc/75/46/01/392754601.db2.gz LCVUGNPROKRAAD-OAHLLOKOSA-N -1 3 279.336 1.300 10 0 CDAEHM O=C(NC1(CF)CCOCC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000517171954 392846273 /nfs/dbraw/zinc/84/62/73/392846273.db2.gz BVNZAJFNTKAXHZ-UHFFFAOYSA-N -1 3 295.314 1.308 10 0 CDAEHM CC(C)(C)O[C@H]1C[C@H](NC(=O)NCc2ncccc2[O-])C1 ZINC000656147998 413055818 /nfs/dbraw/zinc/05/58/18/413055818.db2.gz VTAIYIYANDVTGX-XYPYZODXSA-N -1 3 293.367 1.933 10 0 CDAEHM COC1(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)CC1 ZINC000649212376 393044782 /nfs/dbraw/zinc/04/47/82/393044782.db2.gz LVWZVQCACPXCOV-UHFFFAOYSA-N -1 3 294.261 1.867 10 0 CDAEHM COC1(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)CC1 ZINC000649212376 393044788 /nfs/dbraw/zinc/04/47/88/393044788.db2.gz LVWZVQCACPXCOV-UHFFFAOYSA-N -1 3 294.261 1.867 10 0 CDAEHM COC1(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)CC1 ZINC000649212376 393044796 /nfs/dbraw/zinc/04/47/96/393044796.db2.gz LVWZVQCACPXCOV-UHFFFAOYSA-N -1 3 294.261 1.867 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cn2nccc2nc1C ZINC000649229074 393121169 /nfs/dbraw/zinc/12/11/69/393121169.db2.gz LRSNNABJEONBHN-UHFFFAOYSA-N -1 3 298.350 1.867 10 0 CDAEHM CCNc1ncc(C(=O)N=c2[nH][n-]c(C(C)C)c2C)s1 ZINC000649231480 393126632 /nfs/dbraw/zinc/12/66/32/393126632.db2.gz XGZWCCAYZMWWPI-UHFFFAOYSA-N -1 3 293.396 1.826 10 0 CDAEHM CC(=O)N1CCC[C@@H](C(=O)N=c2[nH][n-]c(C(C)C)c2C)C1 ZINC000649233414 393132138 /nfs/dbraw/zinc/13/21/38/393132138.db2.gz MTSMZDILOHOPRU-GFCCVEGCSA-N -1 3 292.383 1.460 10 0 CDAEHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cn(C2CCC2)nn1 ZINC000648766475 393301131 /nfs/dbraw/zinc/30/11/31/393301131.db2.gz WNHOKPOGWMDNDK-UHFFFAOYSA-N -1 3 299.294 1.634 10 0 CDAEHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cn(C2CCC2)nn1 ZINC000648766475 393301136 /nfs/dbraw/zinc/30/11/36/393301136.db2.gz WNHOKPOGWMDNDK-UHFFFAOYSA-N -1 3 299.294 1.634 10 0 CDAEHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cn(C2CCC2)nn1 ZINC000648766475 393301138 /nfs/dbraw/zinc/30/11/38/393301138.db2.gz WNHOKPOGWMDNDK-UHFFFAOYSA-N -1 3 299.294 1.634 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)CN2CCCC2)o1 ZINC000452080437 393446103 /nfs/dbraw/zinc/44/61/03/393446103.db2.gz HDADIAVAQBHGOL-UHFFFAOYSA-N -1 3 286.397 1.741 10 0 CDAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](C)C(C)C)cn1 ZINC000184928846 140035271 /nfs/dbraw/zinc/03/52/71/140035271.db2.gz ZWKAESSNQDNWKL-SNVBAGLBSA-N -1 3 299.396 1.012 10 0 CDAEHM CC(C)([N-]S(=O)(=O)c1cccnc1)C(C)(F)F ZINC000656186367 413080148 /nfs/dbraw/zinc/08/01/48/413080148.db2.gz VHPXNYUCMVUCHL-UHFFFAOYSA-N -1 3 264.297 1.794 10 0 CDAEHM COC(C)(C)CS(=O)(=O)[N-]C[C@@](C)(OC)C1CC1 ZINC000360250254 292060774 /nfs/dbraw/zinc/06/07/74/292060774.db2.gz HJNKVRRQNSZROZ-GFCCVEGCSA-N -1 3 279.402 1.146 10 0 CDAEHM CO[C@H](COc1ccc2c([O-])coc2c1)[C@H]1CCOC1 ZINC000664137228 413100113 /nfs/dbraw/zinc/10/01/13/413100113.db2.gz YRAZVKKGGIZVDP-ZUZCIYMTSA-N -1 3 278.304 1.692 10 0 CDAEHM OC[C@]1(CN=c2ncnc3[nH][n-]cc2-3)CCc2ccccc21 ZINC000649477881 397759012 /nfs/dbraw/zinc/75/90/12/397759012.db2.gz KCJHBJPEGWUGFN-MRXNPFEDSA-N -1 3 295.346 1.015 10 0 CDAEHM C[C@@H](COCC1CC1)NC(=O)NCc1ncccc1[O-] ZINC000651371703 397960370 /nfs/dbraw/zinc/96/03/70/397960370.db2.gz XEOVIUQDVRZRDC-JTQLQIEISA-N -1 3 279.340 1.402 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(-c3ncon3)cc2)[n-]1 ZINC000182984706 148279933 /nfs/dbraw/zinc/27/99/33/148279933.db2.gz PIVGWHMRSDCKKY-UHFFFAOYSA-N -1 3 286.251 1.116 10 0 CDAEHM COc1nc(NC(=O)c2ccc(-c3ncon3)cc2)n[n-]1 ZINC000182984706 148279938 /nfs/dbraw/zinc/27/99/38/148279938.db2.gz PIVGWHMRSDCKKY-UHFFFAOYSA-N -1 3 286.251 1.116 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(-c3ncon3)cc2)n1 ZINC000182984706 148279944 /nfs/dbraw/zinc/27/99/44/148279944.db2.gz PIVGWHMRSDCKKY-UHFFFAOYSA-N -1 3 286.251 1.116 10 0 CDAEHM Cc1cccc([O-])c1NC(=O)c1nc(C)c(C)[nH]c1=O ZINC000183025016 148284235 /nfs/dbraw/zinc/28/42/35/148284235.db2.gz NOBQBXHKUDMYCC-UHFFFAOYSA-N -1 3 273.292 1.653 10 0 CDAEHM O=C(NCc1ncc(-c2ccccc2)cn1)c1c[n-]nn1 ZINC000184138973 148334106 /nfs/dbraw/zinc/33/41/06/148334106.db2.gz HPRHQLAOXMHEHP-UHFFFAOYSA-N -1 3 280.291 1.192 10 0 CDAEHM O=C(NCc1ncc(-c2ccccc2)cn1)c1cnn[n-]1 ZINC000184138973 148334111 /nfs/dbraw/zinc/33/41/11/148334111.db2.gz HPRHQLAOXMHEHP-UHFFFAOYSA-N -1 3 280.291 1.192 10 0 CDAEHM O=C(NCc1ncc(-c2ccccc2)cn1)c1cn[n-]n1 ZINC000184138973 148334114 /nfs/dbraw/zinc/33/41/14/148334114.db2.gz HPRHQLAOXMHEHP-UHFFFAOYSA-N -1 3 280.291 1.192 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1ccc(-n2ccnc2)cc1 ZINC000352505901 155234053 /nfs/dbraw/zinc/23/40/53/155234053.db2.gz CIPVTRCJBFCIBD-UHFFFAOYSA-N -1 3 294.314 1.903 10 0 CDAEHM CC(C)c1ncncc1C(=O)NCc1ncccc1[O-] ZINC000352510980 155239402 /nfs/dbraw/zinc/23/94/02/155239402.db2.gz VZMHZSHQUYWEPZ-UHFFFAOYSA-N -1 3 272.308 1.631 10 0 CDAEHM Cc1nc(SCCC(=O)NCc2ncccc2[O-])n[nH]1 ZINC000352514644 155241336 /nfs/dbraw/zinc/24/13/36/155241336.db2.gz BZRFWKFOTCDYIK-UHFFFAOYSA-N -1 3 293.352 1.012 10 0 CDAEHM Cc1nnc(SCCC(=O)NCc2ncccc2[O-])[nH]1 ZINC000352514644 155241338 /nfs/dbraw/zinc/24/13/38/155241338.db2.gz BZRFWKFOTCDYIK-UHFFFAOYSA-N -1 3 293.352 1.012 10 0 CDAEHM CC(C)c1noc(CCC(=O)NCc2ncccc2[O-])n1 ZINC000352517561 155243175 /nfs/dbraw/zinc/24/31/75/155243175.db2.gz QQXMYTWEFHPVNL-UHFFFAOYSA-N -1 3 290.323 1.543 10 0 CDAEHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C)o2)CCO1 ZINC000334977997 150143534 /nfs/dbraw/zinc/14/35/34/150143534.db2.gz IWELKAMVCBQPPP-MNOVXSKESA-N -1 3 273.354 1.824 10 0 CDAEHM Cc1cc(C)cc([C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C2)c1 ZINC000335134066 150324207 /nfs/dbraw/zinc/32/42/07/150324207.db2.gz GIMKIJOPEKWKAB-ZDUSSCGKSA-N -1 3 286.379 1.715 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(C)(C)CO)o1 ZINC000352576726 155281590 /nfs/dbraw/zinc/28/15/90/155281590.db2.gz LMEYLIFHIBCFKD-GFCCVEGCSA-N -1 3 287.381 1.663 10 0 CDAEHM Cn1nc(CN2CC[C@](C)(c3ccc(F)cc3)C2)[n-]c1=O ZINC000335785491 151017565 /nfs/dbraw/zinc/01/75/65/151017565.db2.gz PRTORDFZCKGXLL-HNNXBMFYSA-N -1 3 290.342 1.411 10 0 CDAEHM Cc1nc(C)c(CCC(=O)N2[C@@H](C)C[C@@H]2C)c(=O)[n-]1 ZINC000336066647 151240257 /nfs/dbraw/zinc/24/02/57/151240257.db2.gz OKPYVRNDRGXIIX-IUCAKERBSA-N -1 3 263.341 1.741 10 0 CDAEHM Cc1cc(CC[N-]S(=O)(=O)c2c(C)cccc2F)on1 ZINC000352648541 155323641 /nfs/dbraw/zinc/32/36/41/155323641.db2.gz VFWXPFGPUFYEGR-UHFFFAOYSA-N -1 3 298.339 1.952 10 0 CDAEHM COc1cc(C(=O)NCCc2cc(C)no2)ccc1[O-] ZINC000343161876 152055571 /nfs/dbraw/zinc/05/55/71/152055571.db2.gz WAGDLWDAZQHUQS-UHFFFAOYSA-N -1 3 276.292 1.670 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCOC2)o1 ZINC000344007411 152386917 /nfs/dbraw/zinc/38/69/17/152386917.db2.gz HKEAJAFGFUHLQY-SNVBAGLBSA-N -1 3 259.327 1.293 10 0 CDAEHM Cc1cc(NC(=O)NCc2ncccc2[O-])c(=O)n(C)c1 ZINC000344037851 152399331 /nfs/dbraw/zinc/39/93/31/152399331.db2.gz FCEHYMRRNIPHIK-UHFFFAOYSA-N -1 3 288.307 1.116 10 0 CDAEHM Cc1cccc(NC(=O)NCc2ncccc2[O-])n1 ZINC000346913986 153347908 /nfs/dbraw/zinc/34/79/08/153347908.db2.gz IGKOPSSZTSXMHL-UHFFFAOYSA-N -1 3 258.281 1.812 10 0 CDAEHM CN(C)[C@H]1CCCN(C(=O)c2s[n-]c(=O)c2Cl)C1 ZINC000283074042 289373169 /nfs/dbraw/zinc/37/31/69/289373169.db2.gz NNWDZVNQAOQERQ-ZETCQYMHSA-N -1 3 289.788 1.668 10 0 CDAEHM CO[C@@H](CNC(=O)NCc1ncccc1[O-])C(C)C ZINC000349497940 154124636 /nfs/dbraw/zinc/12/46/36/154124636.db2.gz ZCDRCDXSDNYCBF-LBPRGKRZSA-N -1 3 267.329 1.257 10 0 CDAEHM CO[C@H]1C[C@H](NC(=O)NCc2ncccc2[O-])C1(C)C ZINC000349641950 154162556 /nfs/dbraw/zinc/16/25/56/154162556.db2.gz AASAHSLOIICBJA-RYUDHWBXSA-N -1 3 279.340 1.400 10 0 CDAEHM CCOc1ccc(OC)cc1[N-]S(=O)(=O)N1CCC1 ZINC000349943571 154280160 /nfs/dbraw/zinc/28/01/60/154280160.db2.gz HHVCZJIVASIPLD-UHFFFAOYSA-N -1 3 286.353 1.456 10 0 CDAEHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@@H]1C)CO2 ZINC000375547339 160391473 /nfs/dbraw/zinc/39/14/73/160391473.db2.gz ZRRRTPZZBLAHOO-QKCSRTOESA-N -1 3 297.376 1.525 10 0 CDAEHM COC(=O)Cc1occc1C(=O)NCc1ncccc1[O-] ZINC000356110585 157358322 /nfs/dbraw/zinc/35/83/22/157358322.db2.gz SDUGFXYQCAWKKB-UHFFFAOYSA-N -1 3 290.275 1.026 10 0 CDAEHM CCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H](C)CO ZINC000358834802 158046173 /nfs/dbraw/zinc/04/61/73/158046173.db2.gz VGEGQCFJCOIDMK-JTQLQIEISA-N -1 3 274.320 1.371 10 0 CDAEHM CCCCn1c(=O)[n-]nc1S[C@H](C(=O)OC)C1CC1 ZINC000358922467 158072935 /nfs/dbraw/zinc/07/29/35/158072935.db2.gz LTZOLEFAFPNXOX-VIFPVBQESA-N -1 3 285.369 1.828 10 0 CDAEHM Cn1c2cc([O-])c(NC(=O)c3ccoc3)cc2n(C)c1=O ZINC000359778025 158373227 /nfs/dbraw/zinc/37/32/27/158373227.db2.gz LQHGTXFMTUTPIZ-UHFFFAOYSA-N -1 3 287.275 1.428 10 0 CDAEHM Cn1c2cc([O-])c(NC(=O)c3ccccc3)cc2n(C)c1=O ZINC000359778372 158373471 /nfs/dbraw/zinc/37/34/71/158373471.db2.gz NVCZQKFVYSPGSU-UHFFFAOYSA-N -1 3 297.314 1.835 10 0 CDAEHM CCOCCCN1CC(NC(=O)c2ccccc2[O-])C1 ZINC001665095105 1172939243 /nfs/dbraw/zinc/93/92/43/1172939243.db2.gz MMMAXDAEEDNWCD-UHFFFAOYSA-N -1 3 278.352 1.233 10 0 CDAEHM CC1(C)CN(C(=O)c2csc(=O)[n-]2)C[C@@]2(CCOC2)O1 ZINC000373617563 160216384 /nfs/dbraw/zinc/21/63/84/160216384.db2.gz DTMJKVNXNCNUSX-CYBMUJFWSA-N -1 3 298.364 1.259 10 0 CDAEHM C[C@@H]1CCN(c2nc3nncc-3c(O)[n-]2)C[C@H](C)O1 ZINC000664470459 413417502 /nfs/dbraw/zinc/41/75/02/413417502.db2.gz BRLVPWCCPGQENL-SFYZADRCSA-N -1 3 263.301 1.062 10 0 CDAEHM O=c1[n-]c(=O)n(CC[C@@H]2CCCCO2)cc1Cl ZINC000544621288 289647107 /nfs/dbraw/zinc/64/71/07/289647107.db2.gz QZPCWXMCMZNTLN-QMMMGPOBSA-N -1 3 258.705 1.562 10 0 CDAEHM C[C@](O)(CC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)C1CC1 ZINC000352983952 165077728 /nfs/dbraw/zinc/07/77/28/165077728.db2.gz FZFDHRWQXRBNHQ-RISCZKNCSA-N -1 3 279.340 1.173 10 0 CDAEHM COC(=O)c1ccsc1[N-]C(=O)c1ccno1 ZINC000009625366 170383339 /nfs/dbraw/zinc/38/33/39/170383339.db2.gz YOMTUKMUMLGZMN-UHFFFAOYSA-N -1 3 252.251 1.775 10 0 CDAEHM COc1ccc([N-]S(=O)(=O)c2ccccc2CN)cc1 ZINC000022165445 171365512 /nfs/dbraw/zinc/36/55/12/171365512.db2.gz NRRNBPLNMJDVMS-UHFFFAOYSA-N -1 3 292.360 1.955 10 0 CDAEHM O=C(c1c([O-])cccc1O)N1CC2(CC2(F)F)C1 ZINC000655407207 412183409 /nfs/dbraw/zinc/18/34/09/412183409.db2.gz KSGDNIHQCLHKAQ-UHFFFAOYSA-N -1 3 255.220 1.579 10 0 CDAEHM Cn1ncc(Br)c1C[N-]c1nnco1 ZINC000284998608 196175296 /nfs/dbraw/zinc/17/52/96/196175296.db2.gz CXWDWTAVWKIFAB-UHFFFAOYSA-N -1 3 258.079 1.178 10 0 CDAEHM C[C@@H](NCC(=O)Nc1ccccc1Cl)C(=O)[O-] ZINC000035388730 172171551 /nfs/dbraw/zinc/17/15/51/172171551.db2.gz HFOHPLGPBLJHKD-SSDOTTSWSA-N -1 3 256.689 1.341 10 0 CDAEHM O=c1[n-]c(-c2ccc(F)c(F)c2)nc2c1CNCC2 ZINC000035405140 172177244 /nfs/dbraw/zinc/17/72/44/172177244.db2.gz AWSHVYKYIGMRFX-UHFFFAOYSA-N -1 3 263.247 1.361 10 0 CDAEHM CN1CCC(NC(=O)c2ccccc2C(=O)[O-])CC1 ZINC000035720578 172375842 /nfs/dbraw/zinc/37/58/42/172375842.db2.gz LKKQVILYRVMDDO-UHFFFAOYSA-N -1 3 262.309 1.209 10 0 CDAEHM Cc1oc(CN2C[C@H]3COC[C@@]3(C)C2)cc1C(=O)[O-] ZINC000656763634 413624385 /nfs/dbraw/zinc/62/43/85/413624385.db2.gz PRSMRQSDNQGDCJ-IINYFYTJSA-N -1 3 265.309 1.755 10 0 CDAEHM O=S(=O)([N-][C@H](CO)C1CCC1)c1cc(F)cc(F)c1 ZINC000657056578 413881241 /nfs/dbraw/zinc/88/12/41/413881241.db2.gz NDIKHBDGIDYYFY-GFCCVEGCSA-N -1 3 291.319 1.404 10 0 CDAEHM CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000657072346 413904837 /nfs/dbraw/zinc/90/48/37/413904837.db2.gz CMJAHAZWKMTFNE-VIFPVBQESA-N -1 3 259.375 1.523 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C)O2)s1 ZINC000657154057 413971094 /nfs/dbraw/zinc/97/10/94/413971094.db2.gz IGNILRDAYVCKPP-SCZZXKLOSA-N -1 3 290.410 1.687 10 0 CDAEHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)Cc2ccon2)O1 ZINC000657157846 413983227 /nfs/dbraw/zinc/98/32/27/413983227.db2.gz YEZSSLHMXKCVJD-MWLCHTKSSA-N -1 3 274.342 1.052 10 0 CDAEHM Cn1cnc(S(=O)(=O)[N-]CC[C@]2(C)CC2(F)F)c1 ZINC000657161112 413992511 /nfs/dbraw/zinc/99/25/11/413992511.db2.gz YCNOXBODKLEQQC-SECBINFHSA-N -1 3 279.312 1.134 10 0 CDAEHM CO[C@@]1(CO)CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000661386764 414046962 /nfs/dbraw/zinc/04/69/62/414046962.db2.gz DBEONOPFUKFXHO-HNNXBMFYSA-N -1 3 293.367 1.033 10 0 CDAEHM CCC[C@H](C(=O)[O-])N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000663317039 414140509 /nfs/dbraw/zinc/14/05/09/414140509.db2.gz KFFLEXDIYAYHPZ-YGOYTEALSA-N -1 3 265.300 1.984 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H]3COC[C@@]3(C)C2)n1 ZINC000661705251 414298355 /nfs/dbraw/zinc/29/83/55/414298355.db2.gz UILMWLGZVCQAFK-MISXGVKJSA-N -1 3 263.341 1.520 10 0 CDAEHM COc1cc(C[N-]S(=O)(=O)c2ccccc2OC)on1 ZINC000660011189 414355957 /nfs/dbraw/zinc/35/59/57/414355957.db2.gz UXJROHASJZSCNM-UHFFFAOYSA-N -1 3 298.320 1.170 10 0 CDAEHM COc1ccc(N)cc1CNC(=O)c1cccc([O-])c1 ZINC000038033321 174031004 /nfs/dbraw/zinc/03/10/04/174031004.db2.gz YIXHZDZEWCQNRS-UHFFFAOYSA-N -1 3 272.304 1.913 10 0 CDAEHM NS(=O)(=O)c1ccccc1NC(=O)c1cccc([O-])c1 ZINC000040380931 174250746 /nfs/dbraw/zinc/25/07/46/174250746.db2.gz VHABECFRRRBVSI-UHFFFAOYSA-N -1 3 292.316 1.292 10 0 CDAEHM CC[C@@H](C)[C@@H](N)C(=O)Nc1ccccc1C(=O)[O-] ZINC000040472803 174280508 /nfs/dbraw/zinc/28/05/08/174280508.db2.gz LNOGCPRXWDNWLJ-LDYMZIIASA-N -1 3 250.298 1.697 10 0 CDAEHM CC(C)C[C@@H](N)C(=O)NCCCCCCC(=O)[O-] ZINC000040479715 174284378 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10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCSC(C)C)nn1 ZINC000867268391 678889133 /nfs/dbraw/zinc/88/91/33/678889133.db2.gz SMVALERZRMTXOY-UHFFFAOYSA-N -1 3 275.399 1.205 10 0 CDAEHM COC(=O)[C@H](OC(=O)c1cc2occc2[n-]1)C1CC1 ZINC000786030560 678907682 /nfs/dbraw/zinc/90/76/82/678907682.db2.gz SIZJDBGSPKXEQW-LLVKDONJSA-N -1 3 263.249 1.869 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)C(F)=C1CCC1 ZINC000880514144 678910566 /nfs/dbraw/zinc/91/05/66/678910566.db2.gz YOQUMWZCCUPALV-UHFFFAOYSA-N -1 3 269.301 1.495 10 0 CDAEHM Cc1nocc1S(=O)(=O)[N-]C1([C@@H]2CCCCO2)CC1 ZINC000922100538 678913846 /nfs/dbraw/zinc/91/38/46/678913846.db2.gz XOJYMYCCIAZYKI-NSHDSACASA-N -1 3 286.353 1.363 10 0 CDAEHM COC(=O)c1cccc2[n-]c(NC(=O)C3(F)CC3)nc21 ZINC000843567574 678917764 /nfs/dbraw/zinc/91/77/64/678917764.db2.gz XSBDUAJXVPAYSN-UHFFFAOYSA-N -1 3 277.255 1.790 10 0 CDAEHM CCOc1nnc(NC(=O)[C@@H](C)Oc2ccccc2F)[n-]1 ZINC000228765865 678957714 /nfs/dbraw/zinc/95/77/14/678957714.db2.gz DVNJWLJWDJHVLS-MRVPVSSYSA-N -1 3 294.286 1.749 10 0 CDAEHM CCOc1nc(NC(=O)[C@@H](C)Oc2ccccc2F)n[n-]1 ZINC000228765865 678957718 /nfs/dbraw/zinc/95/77/18/678957718.db2.gz DVNJWLJWDJHVLS-MRVPVSSYSA-N -1 3 294.286 1.749 10 0 CDAEHM CCOc1n[n-]c(NC(=O)[C@@H](C)Oc2ccccc2F)n1 ZINC000228765865 678957720 /nfs/dbraw/zinc/95/77/20/678957720.db2.gz DVNJWLJWDJHVLS-MRVPVSSYSA-N -1 3 294.286 1.749 10 0 CDAEHM O=S(=O)([N-][C@@H]1CCCc2cccnc21)c1cscn1 ZINC000921834492 678996283 /nfs/dbraw/zinc/99/62/83/678996283.db2.gz SGQPZPNCKVFKOM-SNVBAGLBSA-N -1 3 295.389 1.894 10 0 CDAEHM C[S@@](=O)CCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857118200 678998815 /nfs/dbraw/zinc/99/88/15/678998815.db2.gz GDCOKHOWBISKRX-LJQANCHMSA-N -1 3 295.282 1.519 10 0 CDAEHM CCCCN(CC(N)=O)C[C@H](C)C(=O)c1ccc([O-])cc1 ZINC000929281223 679004988 /nfs/dbraw/zinc/00/49/88/679004988.db2.gz HTVRHZNOPIAMRA-LBPRGKRZSA-N -1 3 292.379 1.798 10 0 CDAEHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C)nn2)cs1 ZINC000866520496 679009816 /nfs/dbraw/zinc/00/98/16/679009816.db2.gz GNHRRGNLBXNHQE-UHFFFAOYSA-N 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278.352 1.583 10 0 CDAEHM CC(C)(O)c1nnc([N-]Cc2cn(C3CCC3)nn2)o1 ZINC001647263797 1168503068 /nfs/dbraw/zinc/50/30/68/1168503068.db2.gz MVSQXCVTJLBGLH-UHFFFAOYSA-N -1 3 278.316 1.226 10 0 CDAEHM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3ccnn3-c3ccncc3)C[C@@H]21 ZINC001647411145 1168660023 /nfs/dbraw/zinc/66/00/23/1168660023.db2.gz KALAZXAIIMQFNC-QLFBSQMISA-N -1 3 298.346 1.420 10 0 CDAEHM O=C(c1cc(=O)[n-]cn1)N1CCC[C@@]1(CO)c1ccccc1 ZINC001650607810 1171234720 /nfs/dbraw/zinc/23/47/20/1171234720.db2.gz MTJMTXKWUXGAQQ-MRXNPFEDSA-N -1 3 299.330 1.306 10 0 CDAEHM c1c(CN2CC[C@@H](c3nnn[n-]3)C2)onc1C1CC1 ZINC001659943898 1172145790 /nfs/dbraw/zinc/14/57/90/1172145790.db2.gz MDVHRUWQGXGHNV-SECBINFHSA-N -1 3 260.301 1.055 10 0 CDAEHM O=C(NCCCOc1ccc(F)cc1)c1cc(=O)[n-]cn1 ZINC001583618876 1172770541 /nfs/dbraw/zinc/77/05/41/1172770541.db2.gz PFYWLHQWBJBRDB-UHFFFAOYSA-N -1 3 291.282 1.520 10 0 CDAEHM Cc1cc(CCC(=O)[N-]OCc2cccc(C)n2)[nH]n1 ZINC001586074533 1172932074 /nfs/dbraw/zinc/93/20/74/1172932074.db2.gz 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140215790 /nfs/dbraw/zinc/21/57/90/140215790.db2.gz LUOQWZDSFCBOSK-QMMMGPOBSA-N -1 3 259.352 1.176 10 0 CDAEHM COc1cc(CN2CCC[C@H]2c2nc(=N)n(C)[n-]2)sn1 ZINC000660471260 413151050 /nfs/dbraw/zinc/15/10/50/413151050.db2.gz SJBYHJSKOQITAS-VIFPVBQESA-N -1 3 294.384 1.030 10 0 CDAEHM O=c1[n-]nc(C2CCN(Cc3cncs3)CC2)o1 ZINC000660479157 413157107 /nfs/dbraw/zinc/15/71/07/413157107.db2.gz FPMQRGGMIMYELM-UHFFFAOYSA-N -1 3 266.326 1.611 10 0 CDAEHM CC(C)(C(=O)[O-])C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000649462976 397739619 /nfs/dbraw/zinc/73/96/19/397739619.db2.gz KRPDOLDEYLXAHG-UHFFFAOYSA-N -1 3 296.411 1.822 10 0 CDAEHM CC(C)n1cnc([N-]C(=O)c2cc3n(n2)CCCO3)n1 ZINC000650285461 397852753 /nfs/dbraw/zinc/85/27/53/397852753.db2.gz ZRCQMIOIBXSYQZ-UHFFFAOYSA-N -1 3 276.300 1.090 10 0 CDAEHM C[C@@H]1C[C@H](NC(=O)c2c([O-])cccc2O)[C@H](C)O1 ZINC000385036757 397981180 /nfs/dbraw/zinc/98/11/80/397981180.db2.gz YVNULYGXFBVFMW-VGMNWLOBSA-N -1 3 251.282 1.394 10 0 CDAEHM O=c1[n-]cnc2c1CN(c1ccnc3cc(F)cnc31)CC2 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148282191 /nfs/dbraw/zinc/28/21/91/148282191.db2.gz SWSKPQKOCSVLNY-UHFFFAOYSA-N -1 3 258.281 1.554 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cccc3c2CCC3)n1 ZINC000183003940 148282193 /nfs/dbraw/zinc/28/21/93/148282193.db2.gz SWSKPQKOCSVLNY-UHFFFAOYSA-N -1 3 258.281 1.554 10 0 CDAEHM O=C(NCCc1nnc2n1CCCC2)c1ccccc1[O-] ZINC000184113302 148331614 /nfs/dbraw/zinc/33/16/14/148331614.db2.gz ILSWXFZUAOOOJC-UHFFFAOYSA-N -1 3 286.335 1.293 10 0 CDAEHM CO[C@H]1CC[C@@H](NS(=O)(=O)c2ccc([O-])cc2)C1 ZINC000235045479 148700524 /nfs/dbraw/zinc/70/05/24/148700524.db2.gz POCFGBCXEFALFC-KOLCDFICSA-N -1 3 271.338 1.238 10 0 CDAEHM O=C(Cc1cccc(F)c1F)NCc1ncccc1[O-] ZINC000352501532 155230780 /nfs/dbraw/zinc/23/07/80/155230780.db2.gz OOSAWASCMGTJKC-UHFFFAOYSA-N -1 3 278.258 1.924 10 0 CDAEHM COc1cc(C)cnc1C(=O)NCc1ncccc1[O-] ZINC000352502756 155232238 /nfs/dbraw/zinc/23/22/38/155232238.db2.gz YHXQPCRYTCMUNX-UHFFFAOYSA-N -1 3 273.292 1.429 10 0 CDAEHM COCc1cccc(C(=O)NCc2ncccc2[O-])c1 ZINC000352507340 155236216 /nfs/dbraw/zinc/23/62/16/155236216.db2.gz JOFSFENOWLUXGS-UHFFFAOYSA-N -1 3 272.304 1.864 10 0 CDAEHM Cc1cnccc1CC(=O)NCc1ncccc1[O-] ZINC000352508927 155237425 /nfs/dbraw/zinc/23/74/25/155237425.db2.gz OAMMMQPBDKVXOR-UHFFFAOYSA-N -1 3 257.293 1.350 10 0 CDAEHM O=C(Cc1c(F)cccc1F)NCc1ncccc1[O-] ZINC000352516139 155242661 /nfs/dbraw/zinc/24/26/61/155242661.db2.gz KKPABXREFJDAGD-UHFFFAOYSA-N -1 3 278.258 1.924 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCS2)o1 ZINC000334736537 149862801 /nfs/dbraw/zinc/86/28/01/149862801.db2.gz UJIAIRPTPONKNY-VIFPVBQESA-N -1 3 261.368 1.762 10 0 CDAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccco3)cn21 ZINC000334903817 150056871 /nfs/dbraw/zinc/05/68/71/150056871.db2.gz MOWCGOYJIKRDSD-JTQLQIEISA-N -1 3 295.364 1.852 10 0 CDAEHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(F)cc2C)o1 ZINC000334917545 150076956 /nfs/dbraw/zinc/07/69/56/150076956.db2.gz OVUAFNOOLLPQPK-UHFFFAOYSA-N -1 3 284.312 1.909 10 0 CDAEHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C)o2)CCO1 ZINC000334977988 150143406 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ZINC000345996865 153020336 /nfs/dbraw/zinc/02/03/36/153020336.db2.gz LKYZNOYFIUKYLT-SNVBAGLBSA-N -1 3 269.316 1.741 10 0 CDAEHM C[C@@H](OCC(=O)Nc1ccccc1[O-])c1nccn1C ZINC000349720762 154196023 /nfs/dbraw/zinc/19/60/23/154196023.db2.gz FVOVEKRYGVZCSQ-SNVBAGLBSA-N -1 3 275.308 1.842 10 0 CDAEHM CC[C@H](NC(=O)NCc1ncccc1[O-])[C@H]1CCCO1 ZINC000349813296 154225760 /nfs/dbraw/zinc/22/57/60/154225760.db2.gz OBDVIAOWXORDBK-GXFFZTMASA-N -1 3 279.340 1.544 10 0 CDAEHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1cn[nH]c1 ZINC000349820035 154227542 /nfs/dbraw/zinc/22/75/42/154227542.db2.gz FCEILSQWDKVKEF-MRVPVSSYSA-N -1 3 261.285 1.071 10 0 CDAEHM Cc1nsc(C)c1C(=O)NCc1ncccc1[O-] ZINC000352211454 155024320 /nfs/dbraw/zinc/02/43/20/155024320.db2.gz KFJJRQIAQNMVHV-UHFFFAOYSA-N -1 3 263.322 1.791 10 0 CDAEHM COc1nc(NC(=O)COc2cccc(C(C)=O)c2)n[n-]1 ZINC000355609307 157142732 /nfs/dbraw/zinc/14/27/32/157142732.db2.gz SYLHQYPVLPHTCI-UHFFFAOYSA-N -1 3 290.279 1.033 10 0 CDAEHM COc1nnc(NC(=O)COc2cccc(C(C)=O)c2)[n-]1 ZINC000355609307 157142735 /nfs/dbraw/zinc/14/27/35/157142735.db2.gz SYLHQYPVLPHTCI-UHFFFAOYSA-N -1 3 290.279 1.033 10 0 CDAEHM COc1n[n-]c(NC(=O)COc2cccc(C(C)=O)c2)n1 ZINC000355609307 157142738 /nfs/dbraw/zinc/14/27/38/157142738.db2.gz SYLHQYPVLPHTCI-UHFFFAOYSA-N -1 3 290.279 1.033 10 0 CDAEHM O=C([N-]c1cnns1)C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000658618678 413422917 /nfs/dbraw/zinc/42/29/17/413422917.db2.gz QUNIYPQOGNNZIJ-VGMNWLOBSA-N -1 3 280.353 1.029 10 0 CDAEHM C[C@@H](c1cccnc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000284321624 196029997 /nfs/dbraw/zinc/02/99/97/196029997.db2.gz PTSVZELJAZUQFN-JTQLQIEISA-N -1 3 274.324 1.699 10 0 CDAEHM Cc1ncc(CO)c(CNc2ccc(C(N)=O)cc2)c1[O-] ZINC000006900443 170254082 /nfs/dbraw/zinc/25/40/82/170254082.db2.gz MPANDPOUPAUQOS-UHFFFAOYSA-N -1 3 287.319 1.299 10 0 CDAEHM O=C([O-])CCNCC(=O)N(C1=CCCCC1)C1CC1 ZINC000035386291 172168216 /nfs/dbraw/zinc/16/82/16/172168216.db2.gz GSOSHLPGPUEBAK-UHFFFAOYSA-N -1 3 266.341 1.500 10 0 CDAEHM CN[C@@H](C)c1ccccc1[N-]S(=O)(=O)C(F)F ZINC000035644944 172322334 /nfs/dbraw/zinc/32/23/34/172322334.db2.gz UNBRDHCWMMNXRV-ZETCQYMHSA-N -1 3 264.297 1.931 10 0 CDAEHM COc1ccc(CN2CC3CC2(C(=O)[O-])C3)cc1F ZINC000656759745 413641892 /nfs/dbraw/zinc/64/18/92/413641892.db2.gz KRRFGFZIQBTMIF-UHFFFAOYSA-N -1 3 265.284 1.883 10 0 CDAEHM O=C([O-])[C@@H]1CCN(CCn2ccnc2)[C@@H]2CCCC[C@H]12 ZINC000656767039 413652011 /nfs/dbraw/zinc/65/20/11/413652011.db2.gz QJYVBVLGBZTGNB-MGPQQGTHSA-N -1 3 277.368 1.848 10 0 CDAEHM C[C@]12COC[C@@H]1CN(Cc1csc(C(=O)[O-])c1)C2 ZINC000656762251 413623297 /nfs/dbraw/zinc/62/32/97/413623297.db2.gz BFAKKIPHIBCZDN-GWCFXTLKSA-N -1 3 267.350 1.915 10 0 CDAEHM Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000657150818 413975942 /nfs/dbraw/zinc/97/59/42/413975942.db2.gz WHNGGKICLUPUMG-GARJFASQSA-N -1 3 269.370 1.135 10 0 CDAEHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccco2)O1 ZINC000657155184 413986683 /nfs/dbraw/zinc/98/66/83/413986683.db2.gz OIRKLEDWDOCUDL-UWVGGRQHSA-N -1 3 259.327 1.516 10 0 CDAEHM Cc1cccc(S(=O)(=O)[N-][C@H]2C[C@H](O)C23CCC3)c1F ZINC000657190303 414024397 /nfs/dbraw/zinc/02/43/97/414024397.db2.gz WJBAPNPBMBDGLX-RYUDHWBXSA-N -1 3 299.367 1.716 10 0 CDAEHM CCCN[C@H](C(=O)[O-])c1cc(OC)ccc1OC ZINC000037182807 173014896 /nfs/dbraw/zinc/01/48/96/173014896.db2.gz JUXAFYRVBQVBQR-LBPRGKRZSA-N -1 3 253.298 1.829 10 0 CDAEHM COc1cc(OC)c([C@@H](C(=O)[O-])N(C)C)cc1OC ZINC000037358402 173148844 /nfs/dbraw/zinc/14/88/44/173148844.db2.gz PHUJKVKCHXVOMU-LBPRGKRZSA-N -1 3 269.297 1.400 10 0 CDAEHM C[C@@H](NC(=O)NC[C@H](C)N(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655879466 414294669 /nfs/dbraw/zinc/29/46/69/414294669.db2.gz NFOWCJCFNYHOJW-WHOHXGKFSA-N -1 3 299.415 1.371 10 0 CDAEHM COc1cc(C[N-]S(=O)(=O)CC2CC(F)(F)C2)on1 ZINC000660010192 414356648 /nfs/dbraw/zinc/35/66/48/414356648.db2.gz GPPWBPALSBJGIP-UHFFFAOYSA-N -1 3 296.295 1.148 10 0 CDAEHM CCc1cc(=O)[n-]c(CN[C@H]2C[C@@H](O)C23CCC3)n1 ZINC000661830692 414389445 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ZINC000040484117 174287554 /nfs/dbraw/zinc/28/75/54/174287554.db2.gz BVCVCEZSYIWIII-GFCCVEGCSA-N -1 3 264.325 1.478 10 0 CDAEHM CC(C)(C)[C@H](N)C(=O)N(CCC(=O)[O-])C(C)(C)C ZINC000040484551 174288150 /nfs/dbraw/zinc/28/81/50/174288150.db2.gz OLXYCYNEODYRMN-SNVBAGLBSA-N -1 3 258.362 1.462 10 0 CDAEHM CC[C@@H](C)[C@H](N)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000040490568 174291685 /nfs/dbraw/zinc/29/16/85/174291685.db2.gz RHPSAZHXFFFYQC-LNLATYFQSA-N -1 3 284.381 1.754 10 0 CDAEHM CCN1CCC[C@@H]1CNC(=O)N(CCCC(=O)[O-])C(C)C ZINC000040552877 174329724 /nfs/dbraw/zinc/32/97/24/174329724.db2.gz NZYWXEVZEJFPIN-CYBMUJFWSA-N -1 3 299.415 1.756 10 0 CDAEHM Nc1c(=O)[n-]cnc1Nc1nc2ccccc2s1 ZINC000040761119 174397230 /nfs/dbraw/zinc/39/72/30/174397230.db2.gz KHEZTDDOPYJKLN-UHFFFAOYSA-N -1 3 259.294 1.705 10 0 CDAEHM COc1cc(OC)c(CN[C@H](C(=O)[O-])C(C)C)c(OC)c1 ZINC000043430449 175042894 /nfs/dbraw/zinc/04/28/94/175042894.db2.gz WEWUPHKGFGOQKY-AWEZNQCLSA-N -1 3 297.351 1.911 10 0 CDAEHM CC(C)C[C@H](N[C@H]1COc2cc(O)ccc21)C(=O)[O-] ZINC000043432457 175043650 /nfs/dbraw/zinc/04/36/50/175043650.db2.gz UPAQVEQIHNMTRM-RYUDHWBXSA-N -1 3 265.309 1.915 10 0 CDAEHM NC(=S)N1NC(c2cccs2)=C[C@]1([O-])C(F)(F)F ZINC000043463613 175052445 /nfs/dbraw/zinc/05/24/45/175052445.db2.gz USQAXYMMNXRKIB-QMMMGPOBSA-N -1 3 295.311 1.652 10 0 CDAEHM C[C@@H](C(=O)N1CCC[C@@H]1CC(=O)[O-])N1[C@@H](C)CC[C@@H]1C ZINC000043559675 175065926 /nfs/dbraw/zinc/06/59/26/175065926.db2.gz XJUDEGSZXZTCCH-ZDEQEGDKSA-N -1 3 282.384 1.713 10 0 CDAEHM CCCC[C@H](N)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000043586273 175071910 /nfs/dbraw/zinc/07/19/10/175071910.db2.gz LSEBHXSDKQSOPU-RYUDHWBXSA-N -1 3 270.373 1.607 10 0 CDAEHM C[C@@H](Oc1ccc(Br)cc1CN)C(=O)[O-] ZINC000043623944 175080932 /nfs/dbraw/zinc/08/09/32/175080932.db2.gz LESKCAWUUSPKRX-ZCFIWIBFSA-N -1 3 274.114 1.760 10 0 CDAEHM COC[C@@H](O)CN(C)Cc1cc(/C=C/C(=O)[O-])cs1 ZINC000043699614 175097459 /nfs/dbraw/zinc/09/74/59/175097459.db2.gz RJFSEJDHCYRPII-UFFNRZRYSA-N 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YOYNIUBVZARGRX-LLVKDONJSA-N -1 3 279.340 1.237 10 0 CDAEHM CCc1nc(S(=O)(=O)[N-]C[C@@H]2C[C@H]3CC[C@@H]2C3)c[nH]1 ZINC000070422839 175920507 /nfs/dbraw/zinc/92/05/07/175920507.db2.gz OEGMJHGNRNLRCY-AXFHLTTASA-N -1 3 283.397 1.687 10 0 CDAEHM CC[C@](C)(CO)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000070888631 176009931 /nfs/dbraw/zinc/00/99/31/176009931.db2.gz BLRHOCBZHWKUKX-SECBINFHSA-N -1 3 283.802 1.841 10 0 CDAEHM CC(C)(N)C(=O)Nc1ccc(C(=O)[O-])cc1Cl ZINC000071392015 176148992 /nfs/dbraw/zinc/14/89/92/176148992.db2.gz DZNSUGVAELVITJ-UHFFFAOYSA-N -1 3 256.689 1.714 10 0 CDAEHM CC[C@H]1CN(C(=O)N=c2cc(OC)n(C)[n-]2)CCS1 ZINC000547838246 289814922 /nfs/dbraw/zinc/81/49/22/289814922.db2.gz DWNWDAPFQVFHJN-VIFPVBQESA-N -1 3 284.385 1.210 10 0 CDAEHM COc1ncccc1[N-]S(=O)(=O)N1CCC[C@@H]1C ZINC000185199430 262301972 /nfs/dbraw/zinc/30/19/72/262301972.db2.gz JANBAABTBPFYGD-VIFPVBQESA-N -1 3 271.342 1.231 10 0 CDAEHM O=C(c1c([O-])cccc1O)N1CC[C@@]2(CC2(F)F)C1 ZINC000653042562 424150012 /nfs/dbraw/zinc/15/00/12/424150012.db2.gz SUNIPECXMJBWBL-GFCCVEGCSA-N -1 3 269.247 1.969 10 0 CDAEHM Cc1ccc(CN(C[C@](C)(O)C(=O)[O-])C2CC2)o1 ZINC000652387625 424360107 /nfs/dbraw/zinc/36/01/07/424360107.db2.gz DEZQUTHDFUQQDU-ZDUSSCGKSA-N -1 3 253.298 1.388 10 0 CDAEHM Cc1ccc(CN2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cn1 ZINC000653660892 424397151 /nfs/dbraw/zinc/39/71/51/424397151.db2.gz WWUHEUTWLPIMAL-GFCCVEGCSA-N -1 3 272.356 1.268 10 0 CDAEHM C[C@H](CNC(=O)c1c([O-])cc(F)cc1F)N1CCCC1 ZINC000049448085 424402108 /nfs/dbraw/zinc/40/21/08/424402108.db2.gz ONELRCMKDLEYDB-SECBINFHSA-N -1 3 284.306 1.885 10 0 CDAEHM COc1ccc(C2CCN(CCOCC(=O)[O-])CC2)nc1 ZINC000652425496 424420612 /nfs/dbraw/zinc/42/06/12/424420612.db2.gz WMFUJNRISTWJKT-UHFFFAOYSA-N -1 3 294.351 1.371 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@H]2CS[C@H](C)C2)sc1C ZINC000397834683 270351807 /nfs/dbraw/zinc/35/18/07/270351807.db2.gz OGMRUBWYEWFQIP-HTRCEHHLSA-N -1 3 272.395 1.966 10 0 CDAEHM COc1cccc([N-]S(=O)(=O)C[C@H](OC)C2CC2)c1 ZINC000515300822 270430547 /nfs/dbraw/zinc/43/05/47/270430547.db2.gz QGRIKTRZYQOWCY-ZDUSSCGKSA-N -1 3 285.365 1.862 10 0 CDAEHM CO[C@]1(C(=O)[O-])CCN(Cc2ccccc2F)C1 ZINC000530168081 271124676 /nfs/dbraw/zinc/12/46/76/271124676.db2.gz LDGFBRNXTLKRHO-CYBMUJFWSA-N -1 3 253.273 1.501 10 0 CDAEHM COc1cccc([C@@H](C)N2CC[C@](OC)(C(=O)[O-])C2)c1 ZINC000530171144 271128639 /nfs/dbraw/zinc/12/86/39/271128639.db2.gz PBTHPQUQVWATBA-IAQYHMDHSA-N -1 3 279.336 1.932 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1sccc1C)[C@@H](O)C(F)F ZINC000451714122 288057062 /nfs/dbraw/zinc/05/70/62/288057062.db2.gz PCPDEXIIDRHEDO-JGVFFNPUSA-N -1 3 299.364 1.739 10 0 CDAEHM CC[C@H]1CCCC[C@H]1C(=O)Nc1n[n-]c(OC)n1 ZINC000356600424 288209984 /nfs/dbraw/zinc/20/99/84/288209984.db2.gz STCBFLXUJMYNDM-DTWKUNHWSA-N -1 3 252.318 1.968 10 0 CDAEHM CC[C@H]1CCCC[C@H]1C(=O)Nc1nnc(OC)[n-]1 ZINC000356600424 288209986 /nfs/dbraw/zinc/20/99/86/288209986.db2.gz STCBFLXUJMYNDM-DTWKUNHWSA-N -1 3 252.318 1.968 10 0 CDAEHM CC[C@H]1CCCC[C@H]1C(=O)Nc1nc(OC)n[n-]1 ZINC000356600424 288209990 /nfs/dbraw/zinc/20/99/90/288209990.db2.gz STCBFLXUJMYNDM-DTWKUNHWSA-N -1 3 252.318 1.968 10 0 CDAEHM C[C@@]1(c2cccc(C(=O)N[C@H]3CC34CC4)c2)NC(=O)[N-]C1=O ZINC000519596385 281028442 /nfs/dbraw/zinc/02/84/42/281028442.db2.gz SISFWXQBSHCBHY-NHYWBVRUSA-N -1 3 299.330 1.024 10 0 CDAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1[C@H](C)C[C@H]1C ZINC000527479711 281143040 /nfs/dbraw/zinc/14/30/40/281143040.db2.gz BHARYCZQOHBKCD-HTQZYQBOSA-N -1 3 296.348 1.483 10 0 CDAEHM Cn1cnc(S(=O)(=O)[N-]CC[C@H]2CCCC2(C)C)c1 ZINC000528445519 281231313 /nfs/dbraw/zinc/23/13/13/281231313.db2.gz ZURNHRLGKWIPSN-LLVKDONJSA-N -1 3 285.413 1.915 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCN2C2CCCC2)o1 ZINC000528546208 281258026 /nfs/dbraw/zinc/25/80/26/281258026.db2.gz BNQKQKHQIKNOTH-ZDUSSCGKSA-N -1 3 298.408 1.883 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@H](C)Cc2ccsc2)c1 ZINC000530855955 281614622 /nfs/dbraw/zinc/61/46/22/281614622.db2.gz XIKWEZSMFIZLFH-SNVBAGLBSA-N -1 3 299.421 1.874 10 0 CDAEHM CC(C)[C@H]([N-]S(=O)(=O)CC1CC1)c1nc(C2CC2)no1 ZINC000531356902 281749022 /nfs/dbraw/zinc/74/90/22/281749022.db2.gz AIVHBCUFDHWQIB-NSHDSACASA-N -1 3 299.396 1.974 10 0 CDAEHM CC(C)n1cnc(S(=O)(=O)[N-]CCCC2CC2)c1 ZINC000153284881 289163094 /nfs/dbraw/zinc/16/30/94/289163094.db2.gz MUSWWVFZLKCEAK-UHFFFAOYSA-N -1 3 271.386 1.933 10 0 CDAEHM NC(=O)C[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000155197726 289230935 /nfs/dbraw/zinc/23/09/35/289230935.db2.gz VXGGVCVDSCEFKT-SNVBAGLBSA-N -1 3 262.309 1.262 10 0 CDAEHM C[C@@H]1COC[C@H](C)N1C(=O)/C=C\c1cncc([O-])c1 ZINC000255292830 289363989 /nfs/dbraw/zinc/36/39/89/289363989.db2.gz XYBRLTIRFCVBFD-XCPMARJRSA-N -1 3 262.309 1.436 10 0 CDAEHM COc1cc(=NC(=O)N2[C@@H](C)CC[C@@H]2C)[n-]n1C ZINC000548494723 289895085 /nfs/dbraw/zinc/89/50/85/289895085.db2.gz VGOFQJQVGMLQGG-IUCAKERBSA-N -1 3 252.318 1.255 10 0 CDAEHM COc1cc(=NC(=O)N2C[C@@H](C)CCC[C@@H]2C)[n-]n1C ZINC000548497806 289896301 /nfs/dbraw/zinc/89/63/01/289896301.db2.gz QKOBYXZXTHSGPI-QWRGUYRKSA-N -1 3 280.372 1.893 10 0 CDAEHM COc1cc(=NC(=O)c2cc(Cl)cc(OC)c2)[n-]n1C ZINC000551965308 290034114 /nfs/dbraw/zinc/03/41/14/290034114.db2.gz YAOJYNHQOHMYGE-UHFFFAOYSA-N -1 3 295.726 1.765 10 0 CDAEHM Cc1cccc(C(=O)NCc2cccc(CO)n2)c1[O-] ZINC000559251225 290440396 /nfs/dbraw/zinc/44/03/96/290440396.db2.gz ZUTRJAWZQYXWEA-UHFFFAOYSA-N -1 3 272.304 1.518 10 0 CDAEHM C[C@H](C(=O)N=c1cc2ccccn2[n-]1)c1cncnc1 ZINC000561153832 293056147 /nfs/dbraw/zinc/05/61/47/293056147.db2.gz NPOBXAILXBYLJN-JTQLQIEISA-N -1 3 267.292 1.288 10 0 CDAEHM O=C(N=c1cc2ccccn2[n-]1)NC1(CCO)CCCC1 ZINC000562296232 293129760 /nfs/dbraw/zinc/12/97/60/293129760.db2.gz FJDYTLNKSUHMFP-UHFFFAOYSA-N -1 3 288.351 1.573 10 0 CDAEHM O=C(N=c1cc2ccccn2[n-]1)N1CC[C@@H]1C1CC1 ZINC000562612018 293158176 /nfs/dbraw/zinc/15/81/76/293158176.db2.gz YJTUPIKZEPHMBV-GFCCVEGCSA-N -1 3 256.309 1.772 10 0 CDAEHM O=C(Nc1ccc([O-])cc1F)c1cn(CC2CC2)nn1 ZINC000562693058 293176492 /nfs/dbraw/zinc/17/64/92/293176492.db2.gz VGZZUDWSIOBXGB-UHFFFAOYSA-N -1 3 276.271 1.785 10 0 CDAEHM CCCCN(C)C[C@@H](C)[N-]S(=O)(=O)c1cscn1 ZINC000568994964 294137849 /nfs/dbraw/zinc/13/78/49/294137849.db2.gz KLBCNGKVXSTYCP-SNVBAGLBSA-N -1 3 291.442 1.542 10 0 CDAEHM C[C@@H](NCc1csc(N(C)C2CC2)n1)[C@@H](C)C(=O)[O-] ZINC000572653743 294667639 /nfs/dbraw/zinc/66/76/39/294667639.db2.gz RABHTQAQQZJMQQ-RKDXNWHRSA-N -1 3 283.397 1.941 10 0 CDAEHM COCc1nc(C(=O)[N-]c2onc(C)c2C)co1 ZINC000574266132 294973520 /nfs/dbraw/zinc/97/35/20/294973520.db2.gz PBLZPABZGSRBNB-UHFFFAOYSA-N -1 3 251.242 1.678 10 0 CDAEHM C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000335314858 297527555 /nfs/dbraw/zinc/52/75/55/297527555.db2.gz JYEFAVNELKDVIH-WRWORJQWSA-N -1 3 282.727 1.443 10 0 CDAEHM O=C([N-]c1nncn1Cc1ccccc1)[C@@H](O)C1CCC1 ZINC000570158900 316921975 /nfs/dbraw/zinc/92/19/75/316921975.db2.gz ZHMUVYPTBIWACB-ZDUSSCGKSA-N -1 3 286.335 1.426 10 0 CDAEHM CC[C@@H](CC(C)C)C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000575987545 317052433 /nfs/dbraw/zinc/05/24/33/317052433.db2.gz GIKATHQYXNWELJ-JTQLQIEISA-N -1 3 253.346 1.861 10 0 CDAEHM CCC(=O)N1CSC[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000183253431 323327081 /nfs/dbraw/zinc/32/70/81/323327081.db2.gz FEMQMQCBIJXLMN-NSHDSACASA-N -1 3 298.339 1.781 10 0 CDAEHM CCC[C@H](C)[C@@H](CO)NC(=O)c1ccc(O)cc1[O-] ZINC000579365763 324170755 /nfs/dbraw/zinc/17/07/55/324170755.db2.gz QGNYTTPMQZSMTQ-JOYOIKCWSA-N -1 3 267.325 1.625 10 0 CDAEHM CCc1coc([N-]C(=O)c2coc(COC)n2)n1 ZINC000582129849 324912805 /nfs/dbraw/zinc/91/28/05/324912805.db2.gz GHYXQFNZJFXEQL-UHFFFAOYSA-N -1 3 251.242 1.624 10 0 CDAEHM CC[C@@](C)(CO)C(=O)NCc1ccc([O-])c(F)c1 ZINC000582734269 325034601 /nfs/dbraw/zinc/03/46/01/325034601.db2.gz JGROWCYIRZMQKJ-ZDUSSCGKSA-N -1 3 255.289 1.556 10 0 CDAEHM CC(C)c1nnc(N2CCCN(CC(=O)[O-])CC2)s1 ZINC000584234618 327072316 /nfs/dbraw/zinc/07/23/16/327072316.db2.gz MEQMUNXMCLLGAA-UHFFFAOYSA-N -1 3 284.385 1.258 10 0 CDAEHM Cc1cc([N-]C(=O)[C@@H](C)N2CC[C@@H](C(F)F)C2)on1 ZINC000677736612 482260832 /nfs/dbraw/zinc/26/08/32/482260832.db2.gz UXTXNBUWKDASAO-RKDXNWHRSA-N -1 3 273.283 1.897 10 0 CDAEHM O=C(c1ccccc1[O-])N1CC(C2CCOCC2)C1 ZINC000669732667 482469480 /nfs/dbraw/zinc/46/94/80/482469480.db2.gz XQRPAWNPJJIXJD-UHFFFAOYSA-N -1 3 261.321 1.891 10 0 CDAEHM COc1cc(C(=O)N[C@H](C)C(C)(C)O)cc(OC)c1[O-] ZINC000680818030 482571442 /nfs/dbraw/zinc/57/14/42/482571442.db2.gz LLIGGWMRLNXOCO-MRVPVSSYSA-N -1 3 283.324 1.299 10 0 CDAEHM Cc1nn(C)cc1S(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000672430766 482583301 /nfs/dbraw/zinc/58/33/01/482583301.db2.gz FRARMYSFCHMTOY-SECBINFHSA-N -1 3 279.312 1.195 10 0 CDAEHM CN(CC1CCCCC1)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662201319 482604856 /nfs/dbraw/zinc/60/48/56/482604856.db2.gz HTFMDYLNNZBNBO-GFCCVEGCSA-N -1 3 268.357 1.184 10 0 CDAEHM C[C@H](OCC1CC1)C(=O)NCc1ncccc1[O-] ZINC000684349774 482767296 /nfs/dbraw/zinc/76/72/96/482767296.db2.gz BMIKIRRFMWDFNI-VIFPVBQESA-N -1 3 250.298 1.219 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N[C@H](C)C(C)(C)O)c1 ZINC000678315008 483025707 /nfs/dbraw/zinc/02/57/07/483025707.db2.gz KGUOUFAGZKMCBG-SECBINFHSA-N -1 3 251.326 1.844 10 0 CDAEHM Cc1ccccc1OCC(=O)NCc1ncccc1[O-] ZINC000684350234 483305345 /nfs/dbraw/zinc/30/53/45/483305345.db2.gz ISIRQUXDLNEVLB-UHFFFAOYSA-N -1 3 272.304 1.791 10 0 CDAEHM CO[C@@H](C(=O)Nc1nnc(SC)[n-]1)C1CCCC1 ZINC000667619198 483354351 /nfs/dbraw/zinc/35/43/51/483354351.db2.gz VQNHUZOXJREFOC-MRVPVSSYSA-N -1 3 270.358 1.670 10 0 CDAEHM CO[C@@H](C(=O)Nc1nc(SC)n[n-]1)C1CCCC1 ZINC000667619198 483354354 /nfs/dbraw/zinc/35/43/54/483354354.db2.gz VQNHUZOXJREFOC-MRVPVSSYSA-N -1 3 270.358 1.670 10 0 CDAEHM CO[C@@H](C(=O)Nc1n[n-]c(SC)n1)C1CCCC1 ZINC000667619198 483354356 /nfs/dbraw/zinc/35/43/56/483354356.db2.gz VQNHUZOXJREFOC-MRVPVSSYSA-N -1 3 270.358 1.670 10 0 CDAEHM CN(C)C[C@H]1CCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000668013168 483528384 /nfs/dbraw/zinc/52/83/84/483528384.db2.gz RNXAQHIJELFEJI-SECBINFHSA-N -1 3 290.323 1.095 10 0 CDAEHM COc1cccc(C(=O)NCC2(OC)CCOCC2)c1[O-] ZINC000676593337 483536050 /nfs/dbraw/zinc/53/60/50/483536050.db2.gz DWKWPGRAHBAXQO-UHFFFAOYSA-N -1 3 295.335 1.326 10 0 CDAEHM CC(C)[C@H](CN(C)C)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000049196539 519814134 /nfs/dbraw/zinc/81/41/34/519814134.db2.gz VFUQSEUJAMRWTO-AGIUHOORSA-N -1 3 282.384 1.356 10 0 CDAEHM CCN[C@](CO[C@H](C)COC)(C(=O)[O-])c1ccccc1 ZINC000069510130 520250414 /nfs/dbraw/zinc/25/04/14/520250414.db2.gz RVDVTNXBOBCSHF-DOMZBBRYSA-N -1 3 281.352 1.628 10 0 CDAEHM CCN1CCC[C@H]1CNC(=O)N(CC(=O)[O-])CC(C)C ZINC000062743889 521655082 /nfs/dbraw/zinc/65/50/82/521655082.db2.gz ULVTUBYGNRGAMT-LBPRGKRZSA-N -1 3 285.388 1.223 10 0 CDAEHM CCCn1c(=O)[n-]nc1SC[C@H]1CCC[C@H](O)C1 ZINC000310769819 535578901 /nfs/dbraw/zinc/57/89/01/535578901.db2.gz OWAZDPPSFIMMKL-UWVGGRQHSA-N -1 3 271.386 1.625 10 0 CDAEHM CC(C)CN(CCN(C)C)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000054525517 519715754 /nfs/dbraw/zinc/71/57/54/519715754.db2.gz FAOYUZUQZKMKLG-LBPRGKRZSA-N -1 3 285.388 1.079 10 0 CDAEHM CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000049560949 519775168 /nfs/dbraw/zinc/77/51/68/519775168.db2.gz NIWWMAVOHPUEMS-NWDGAFQWSA-N -1 3 285.388 1.221 10 0 CDAEHM CC(C)C[C@@H](CN(C)C)NC(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000054525287 519775402 /nfs/dbraw/zinc/77/54/02/519775402.db2.gz KHSVFNZNBHHYLJ-RYUDHWBXSA-N -1 3 285.388 1.125 10 0 CDAEHM CC(C)[C@@H](N)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000050927613 519796158 /nfs/dbraw/zinc/79/61/58/519796158.db2.gz PJOZZFCXUFDGTD-GFCCVEGCSA-N -1 3 256.346 1.073 10 0 CDAEHM CCN(C(=O)N[C@H](C)CN1CCCC1)C(C)(C)C(=O)[O-] ZINC000061175551 519985478 /nfs/dbraw/zinc/98/54/78/519985478.db2.gz BTSHMUNFNNVMDY-LLVKDONJSA-N -1 3 285.388 1.365 10 0 CDAEHM CCN(C(=O)[C@H](N)Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC000061151056 520045694 /nfs/dbraw/zinc/04/56/94/520045694.db2.gz UPKLQNWOLCFFAU-GFCCVEGCSA-N -1 3 278.352 1.268 10 0 CDAEHM CCO[C@@H](CN1CCN(C2CCCC2)CC1)C(=O)[O-] ZINC000062753142 520310447 /nfs/dbraw/zinc/31/04/47/520310447.db2.gz XPEJBGWUESBIMH-ZDUSSCGKSA-N -1 3 270.373 1.036 10 0 CDAEHM CCN(CC(=O)NCc1ccc(C)cc1)C[C@H](C)C(=O)[O-] ZINC000061218731 520336451 /nfs/dbraw/zinc/33/64/51/520336451.db2.gz HDDIZLZBWJEGOJ-ZDUSSCGKSA-N -1 3 292.379 1.654 10 0 CDAEHM CCCCN(C(=O)N1CCCN(CC(=O)[O-])CC1)C1CC1 ZINC000061146038 520346838 /nfs/dbraw/zinc/34/68/38/520346838.db2.gz PUOXZMJUONFGPE-UHFFFAOYSA-N -1 3 297.399 1.463 10 0 CDAEHM CCC[C@H](NC(=O)N[C@H](C)CN1CCCCC1)C(=O)[O-] ZINC000049502798 521133241 /nfs/dbraw/zinc/13/32/41/521133241.db2.gz CMBAELLPFHGDAU-NEPJUHHUSA-N -1 3 285.388 1.413 10 0 CDAEHM CCC(=O)Nc1cccc(NC(=O)c2nnc(N)[n-]2)c1C ZINC000055166405 521225304 /nfs/dbraw/zinc/22/53/04/521225304.db2.gz WYTHOAAPYQFUCY-UHFFFAOYSA-N -1 3 288.311 1.296 10 0 CDAEHM CCC(=O)Nc1cccc(NC(=O)c2nc(N)n[n-]2)c1C ZINC000055166405 521225313 /nfs/dbraw/zinc/22/53/13/521225313.db2.gz WYTHOAAPYQFUCY-UHFFFAOYSA-N -1 3 288.311 1.296 10 0 CDAEHM CCC(=O)Nc1cccc(NC(=O)c2n[n-]c(N)n2)c1C ZINC000055166405 521225316 /nfs/dbraw/zinc/22/53/16/521225316.db2.gz WYTHOAAPYQFUCY-UHFFFAOYSA-N -1 3 288.311 1.296 10 0 CDAEHM CCN(C[C@H](C)C(=O)[O-])C(=O)NC[C@H](C)N1CCCCC1 ZINC000061226474 521242391 /nfs/dbraw/zinc/24/23/91/521242391.db2.gz LAOVWIYPVPLWFO-STQMWFEESA-N -1 3 299.415 1.613 10 0 CDAEHM CCCn1c(=S)[n-]nc1N1CCC[C@@H]1CN(C)C ZINC000061651948 521619869 /nfs/dbraw/zinc/61/98/69/521619869.db2.gz LTTTXMTYJVUNGM-SNVBAGLBSA-N -1 3 269.418 1.881 10 0 CDAEHM CN(C)C[C@@H]1CCCN1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000061654130 521832170 /nfs/dbraw/zinc/83/21/70/521832170.db2.gz KRIDTXGIQAQROL-NSHDSACASA-N -1 3 283.372 1.119 10 0 CDAEHM CN(C)C[C@H]1CCCN1c1n[n-]c(=S)n1C1CC1 ZINC000061651957 521875062 /nfs/dbraw/zinc/87/50/62/521875062.db2.gz UKAZFISBMGOMFG-SNVBAGLBSA-N -1 3 267.402 1.806 10 0 CDAEHM CN[C@](CSc1nnc(C)o1)(C(=O)[O-])c1ccccc1 ZINC000051038800 522532927 /nfs/dbraw/zinc/53/29/27/522532927.db2.gz FMMIZVIHHXGOOF-ZDUSSCGKSA-N -1 3 293.348 1.670 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)Cc1cc(C)cc(C)c1)C(=O)OC ZINC000336895993 522900701 /nfs/dbraw/zinc/90/07/01/522900701.db2.gz RJDJTOWDGIMOAS-CYBMUJFWSA-N -1 3 299.392 1.674 10 0 CDAEHM COCCCN(CCOC)C(=O)c1cccc([O-])c1 ZINC000042425270 523253687 /nfs/dbraw/zinc/25/36/87/523253687.db2.gz RIHQAHWVFOIOHP-UHFFFAOYSA-N -1 3 267.325 1.517 10 0 CDAEHM CC[C@H](C)N1CCN(c2ccc(N)c(C(=O)[O-])c2)CC1 ZINC000055084904 523960671 /nfs/dbraw/zinc/96/06/71/523960671.db2.gz VJEFKLHUXBUYDO-NSHDSACASA-N -1 3 277.368 1.888 10 0 CDAEHM C[C@H](CCN(C)C)NCc1nc(=O)c2sccc2[n-]1 ZINC000049557642 524166235 /nfs/dbraw/zinc/16/62/35/524166235.db2.gz HSTYJGNDMWPFJB-SECBINFHSA-N -1 3 280.397 1.414 10 0 CDAEHM Cc1cc(C)c(C(=O)[O-])c(NC[C@@H]2CCS(=O)(=O)C2)n1 ZINC000050603464 524244124 /nfs/dbraw/zinc/24/41/24/524244124.db2.gz VHTGNRMVQQYDPM-JTQLQIEISA-N -1 3 298.364 1.243 10 0 CDAEHM Cc1ccc(C(=O)NCc2ccnn2C)c([O-])c1C ZINC000052535936 526188898 /nfs/dbraw/zinc/18/88/98/526188898.db2.gz BFHMUUMEEDXVAD-UHFFFAOYSA-N -1 3 259.309 1.673 10 0 CDAEHM 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969531908 /nfs/dbraw/zinc/53/19/08/969531908.db2.gz ZCOZYYFKNPHKOA-SSDOTTSWSA-N -1 3 299.165 1.891 10 0 CDAEHM Cn1cnc(C(=O)[N-]c2ccnc(Cl)c2F)n1 ZINC001460807937 969548739 /nfs/dbraw/zinc/54/87/39/969548739.db2.gz FPTVKVOBZAPZCG-UHFFFAOYSA-N -1 3 255.640 1.255 10 0 CDAEHM O=C(c1ccnc(F)c1F)N1CCCc2c(=O)[n-]cnc21 ZINC001536200817 969596967 /nfs/dbraw/zinc/59/69/67/969596967.db2.gz RMBTXSYFGMVEOW-UHFFFAOYSA-N -1 3 292.245 1.448 10 0 CDAEHM O=C(NCc1cnc[nH]1)c1c([O-])cnc2c(F)cccc21 ZINC001465301486 969862463 /nfs/dbraw/zinc/86/24/63/969862463.db2.gz YRFPMCRKHSKOIW-UHFFFAOYSA-N -1 3 286.266 1.733 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)c2cc3n(n2)CCC[C@@H]3O)n1 ZINC001467595428 970079768 /nfs/dbraw/zinc/07/97/68/970079768.db2.gz VKUZWOCVOJNZSJ-NSHDSACASA-N -1 3 288.307 1.372 10 0 CDAEHM COc1nnc(NC(=O)c2nc(C3CC3)cs2)[n-]1 ZINC001519848861 970119218 /nfs/dbraw/zinc/11/92/18/970119218.db2.gz ZIVJTSOTRCUTTP-UHFFFAOYSA-N -1 3 265.298 1.400 10 0 CDAEHM COc1nc(NC(=O)c2nc(C3CC3)cs2)n[n-]1 ZINC001519848861 970119220 /nfs/dbraw/zinc/11/92/20/970119220.db2.gz ZIVJTSOTRCUTTP-UHFFFAOYSA-N -1 3 265.298 1.400 10 0 CDAEHM COc1n[n-]c(NC(=O)c2nc(C3CC3)cs2)n1 ZINC001519848861 970119223 /nfs/dbraw/zinc/11/92/23/970119223.db2.gz ZIVJTSOTRCUTTP-UHFFFAOYSA-N -1 3 265.298 1.400 10 0 CDAEHM Cc1csc(NCCNC(=O)c2ccc(O)cc2[O-])n1 ZINC001468814168 970195168 /nfs/dbraw/zinc/19/51/68/970195168.db2.gz SENBQSDCLIWNMW-UHFFFAOYSA-N -1 3 293.348 1.705 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CC[C@H]1CC(C)(C)CO1 ZINC001361770825 970511828 /nfs/dbraw/zinc/51/18/28/970511828.db2.gz FKZUEEKLHGDQMJ-RYUDHWBXSA-N -1 3 295.383 1.210 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001361770826 970512792 /nfs/dbraw/zinc/51/27/92/970512792.db2.gz FKZUEEKLHGDQMJ-VXGBXAGGSA-N -1 3 295.383 1.210 10 0 CDAEHM C[C@]1(CNC(=O)c2cc(F)cc3n[n-]nc32)CCCCO1 ZINC001472176093 970595120 /nfs/dbraw/zinc/59/51/20/970595120.db2.gz QTRWCYFTJIBDBR-CQSZACIVSA-N -1 3 292.314 1.786 10 0 CDAEHM O=C(c1cccc([O-])c1F)N1CCN(CC2CC2)CC1 ZINC001417615856 973200115 /nfs/dbraw/zinc/20/01/15/973200115.db2.gz IHFOQABTWGYGPS-UHFFFAOYSA-N -1 3 278.327 1.699 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001417661445 973251651 /nfs/dbraw/zinc/25/16/51/973251651.db2.gz JEGBLKAIXBYTJT-MRVPVSSYSA-N -1 3 281.312 1.340 10 0 CDAEHM CCC1(C(=O)NCCCNC(=O)c2ccccc2[O-])CC1 ZINC001575710709 1171252095 /nfs/dbraw/zinc/25/20/95/1171252095.db2.gz OHJGNAXTCQWXMN-UHFFFAOYSA-N -1 3 290.363 1.819 10 0 CDAEHM CCC[C@@H](CCO)N=c1[n-]c(C(=O)OC)c(C)s1 ZINC000601211994 342505347 /nfs/dbraw/zinc/50/53/47/342505347.db2.gz DBSHTJKJVBCBKJ-VIFPVBQESA-N -1 3 272.370 1.623 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)C2(CCF)CC2)[n-]1 ZINC000589493736 342507901 /nfs/dbraw/zinc/50/79/01/342507901.db2.gz XOWCNALBSIDSAE-UHFFFAOYSA-N -1 3 269.276 1.665 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)C2(CCF)CC2)c[n-]1 ZINC000589493736 342507902 /nfs/dbraw/zinc/50/79/02/342507902.db2.gz XOWCNALBSIDSAE-UHFFFAOYSA-N -1 3 269.276 1.665 10 0 CDAEHM COC[C@]1(C)CN([C@@H](C)C(=O)[N-]c2cc(C)no2)CCO1 ZINC000626173279 342512966 /nfs/dbraw/zinc/51/29/66/342512966.db2.gz QSCPLRBZQKLPBK-FZMZJTMJSA-N -1 3 297.355 1.047 10 0 CDAEHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)N(C)C1CC1 ZINC000589936549 342517215 /nfs/dbraw/zinc/51/72/15/342517215.db2.gz JTYWAAURWXJVQK-UHFFFAOYSA-N -1 3 292.401 1.037 10 0 CDAEHM C[C@@H]1CCC[C@H](CNC(=O)c2ccc3n[n-]nc3c2)O1 ZINC000618568794 349486022 /nfs/dbraw/zinc/48/60/22/349486022.db2.gz LBCWQPSZBPIKEQ-MWLCHTKSSA-N -1 3 274.324 1.645 10 0 CDAEHM O=C(NCCCNC(=O)C12CC(C1)C2)c1cccc([O-])c1 ZINC000626194029 342533536 /nfs/dbraw/zinc/53/35/36/342533536.db2.gz LKDDSRKJJCOTKB-UHFFFAOYSA-N -1 3 288.347 1.428 10 0 CDAEHM O=C(c1cccc2[n-]nnc21)N1CC(CC2CC2)C1 ZINC000623041801 342544811 /nfs/dbraw/zinc/54/48/11/342544811.db2.gz ZGKDSJCLCKBFIP-UHFFFAOYSA-N -1 3 256.309 1.830 10 0 CDAEHM O=C(c1cccc2nn[n-]c21)N1CC(CC2CC2)C1 ZINC000623041801 342544812 /nfs/dbraw/zinc/54/48/12/342544812.db2.gz ZGKDSJCLCKBFIP-UHFFFAOYSA-N -1 3 256.309 1.830 10 0 CDAEHM O=C(c1cccc2n[n-]nc21)N1CC(CC2CC2)C1 ZINC000623041801 342544813 /nfs/dbraw/zinc/54/48/13/342544813.db2.gz ZGKDSJCLCKBFIP-UHFFFAOYSA-N -1 3 256.309 1.830 10 0 CDAEHM O=C([C@H]1C[C@H]1C1CCCC1)N1CCc2c(=O)[n-]cnc2C1 ZINC000651705885 398155698 /nfs/dbraw/zinc/15/56/98/398155698.db2.gz KUXCZQYSAVNREZ-STQMWFEESA-N -1 3 287.363 1.893 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2C[C@@H]3COC[C@@]3(C)C2)c1 ZINC000618720467 349516275 /nfs/dbraw/zinc/51/62/75/349516275.db2.gz HHUHXYZPWOXPBH-MEBBXXQBSA-N -1 3 277.320 1.509 10 0 CDAEHM CSCCCCC[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000601397702 342559831 /nfs/dbraw/zinc/55/98/31/342559831.db2.gz RCMZSYSXLNSYJH-UHFFFAOYSA-N -1 3 296.439 1.660 10 0 CDAEHM CC[C@@H](C(=O)[O-])N(C)Cc1cnc2c(C)cccn12 ZINC000650806487 398225559 /nfs/dbraw/zinc/22/55/59/398225559.db2.gz APKDMDUJMLIUIO-LBPRGKRZSA-N -1 3 261.325 1.938 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1CCN(CC(F)F)CC1 ZINC000624915041 342021745 /nfs/dbraw/zinc/02/17/45/342021745.db2.gz UCLWEBRYZRSATC-UHFFFAOYSA-N -1 3 284.306 1.724 10 0 CDAEHM COC(=O)[C@]1(OC)CCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000600291510 342031836 /nfs/dbraw/zinc/03/18/36/342031836.db2.gz UEFCZGHYPZKVPI-HNNXBMFYSA-N -1 3 293.319 1.105 10 0 CDAEHM C[C@@]1(CNC(=O)Cc2cncc([O-])c2)CC1(F)F ZINC000618599767 342050806 /nfs/dbraw/zinc/05/08/06/342050806.db2.gz ZRAZEDRBRLHNCZ-NSHDSACASA-N -1 3 256.252 1.491 10 0 CDAEHM NC(=O)c1c([O-])cc(C(F)(F)F)nc1C(F)(F)F ZINC000220100523 342074777 /nfs/dbraw/zinc/07/47/77/342074777.db2.gz TZQSPYBITLJLJM-UHFFFAOYSA-N -1 3 274.120 1.511 10 0 CDAEHM CCC[C@H](C)CCCN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000625276435 342076017 /nfs/dbraw/zinc/07/60/17/342076017.db2.gz TWIJWFPDOHJMBY-RYUDHWBXSA-N -1 3 267.373 1.439 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCOCCF)c(F)c1F ZINC000625292348 342078401 /nfs/dbraw/zinc/07/84/01/342078401.db2.gz STGCTUHLGPTHTF-UHFFFAOYSA-N -1 3 297.298 1.538 10 0 CDAEHM COCc1ccnc([N-]C(=O)c2nnn(C(C)(C)C)n2)c1 ZINC000616592407 342118668 /nfs/dbraw/zinc/11/86/68/342118668.db2.gz YCKRXXWJKUDVBX-UHFFFAOYSA-N -1 3 290.327 1.222 10 0 CDAEHM CCc1cc(C(=O)N(C)CC2CN(C)C2)ccc1[O-] ZINC000618190512 342131911 /nfs/dbraw/zinc/13/19/11/342131911.db2.gz WCNWQYDNXSQIJL-UHFFFAOYSA-N -1 3 262.353 1.588 10 0 CDAEHM C[C@@]12COC[C@H]1CN(C(=O)c1c[n-]c3ccccc3c1=O)C2 ZINC000618724178 346837582 /nfs/dbraw/zinc/83/75/82/346837582.db2.gz RTADVGDFQIPIIE-PIGZYNQJSA-N -1 3 298.342 1.637 10 0 CDAEHM CCOC(=O)c1csc(=NCCC2(COC)CC2)[n-]1 ZINC000591961911 342658450 /nfs/dbraw/zinc/65/84/50/342658450.db2.gz SNODYGDJRXPNSB-UHFFFAOYSA-N -1 3 284.381 1.970 10 0 CDAEHM C[C@@H]1CN(C(=O)c2ccc3n[n-]nc3c2)C[C@@H](C)C1=O ZINC000618091951 342155855 /nfs/dbraw/zinc/15/58/55/342155855.db2.gz QOAKVVVFKSLNAX-RKDXNWHRSA-N -1 3 272.308 1.255 10 0 CDAEHM CCc1cccc(C(=O)N[C@@H]2C[C@@H](O)C23CCC3)c1[O-] ZINC000619077352 349618489 /nfs/dbraw/zinc/61/84/89/349618489.db2.gz GNMYHJHDKNBYBN-CHWSQXEVSA-N -1 3 275.348 1.988 10 0 CDAEHM COC(=O)c1cc(CN(CC(=O)[O-])CC2CC2)n(C)c1C ZINC000593331556 342786062 /nfs/dbraw/zinc/78/60/62/342786062.db2.gz FTNNPWFRGOIVAE-UHFFFAOYSA-N -1 3 294.351 1.417 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)c1 ZINC000650938554 398285419 /nfs/dbraw/zinc/28/54/19/398285419.db2.gz BPRNTHDAKDBQQH-TZMCWYRMSA-N -1 3 291.347 1.719 10 0 CDAEHM COc1cc(C(=O)N(C)CCCCO)cc(OC)c1[O-] ZINC000351791508 361954950 /nfs/dbraw/zinc/95/49/50/361954950.db2.gz SECWSZZCBVIPDP-UHFFFAOYSA-N -1 3 283.324 1.254 10 0 CDAEHM COC(=O)[C@H](CCF)NC(=O)c1cc(OC)ccc1[O-] ZINC000593799157 342836011 /nfs/dbraw/zinc/83/60/11/342836011.db2.gz KFGLSJQVZGXNHF-JTQLQIEISA-N -1 3 285.271 1.032 10 0 CDAEHM O=C(CCC1CC1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120600262 539079650 /nfs/dbraw/zinc/07/96/50/539079650.db2.gz NYRIMITUBARRCL-UHFFFAOYSA-N -1 3 271.324 1.919 10 0 CDAEHM O=C(CCC1CC1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120600262 539079651 /nfs/dbraw/zinc/07/96/51/539079651.db2.gz NYRIMITUBARRCL-UHFFFAOYSA-N -1 3 271.324 1.919 10 0 CDAEHM CC(C)CN1CCN(Cc2nsc(C(=O)[O-])n2)CC1 ZINC000675055604 539083922 /nfs/dbraw/zinc/08/39/22/539083922.db2.gz XHIKWEDBHIDUHD-UHFFFAOYSA-N -1 3 284.385 1.010 10 0 CDAEHM CC(=O)c1ccsc1[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000622876552 342264510 /nfs/dbraw/zinc/26/45/10/342264510.db2.gz IYWZEOQMEAPMHJ-UHFFFAOYSA-N -1 3 293.352 1.945 10 0 CDAEHM CN1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1=O ZINC000280544269 539127921 /nfs/dbraw/zinc/12/79/21/539127921.db2.gz ZNCFVXGMMGGTFP-UHFFFAOYSA-N -1 3 284.315 1.460 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1cc(C)cs1)[C@H]1C[C@H](O)C1 ZINC000219811592 529644035 /nfs/dbraw/zinc/64/40/35/529644035.db2.gz DQWQWXSSIMVVGA-AXFHLTTASA-N -1 3 289.422 1.884 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCN2CCCC[C@H]2C1 ZINC000171742015 362049813 /nfs/dbraw/zinc/04/98/13/362049813.db2.gz LSYGYNIRHADEPN-NSHDSACASA-N -1 3 276.336 1.408 10 0 CDAEHM COc1cc(C(=O)NCc2ccnn2C)ccc1[O-] ZINC000082286286 342375730 /nfs/dbraw/zinc/37/57/30/342375730.db2.gz GQNFPDDHBAJLNR-UHFFFAOYSA-N -1 3 261.281 1.064 10 0 CDAEHM CN(C)CCn1cc([N-]c2nc(C3CC3)ns2)cn1 ZINC000092627914 342415616 /nfs/dbraw/zinc/41/56/16/342415616.db2.gz CLRDIZYISBAUTD-UHFFFAOYSA-N -1 3 278.385 1.917 10 0 CDAEHM CCC(CC)[C@H](C)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000408454644 282261030 /nfs/dbraw/zinc/26/10/30/282261030.db2.gz VTTQSTHHCRULHG-ZUZCIYMTSA-N -1 3 295.383 1.259 10 0 CDAEHM CC(C)(C)OC(=O)[C@@H](CNC(=O)c1c[n-]nn1)C1CCC1 ZINC000598571640 343832767 /nfs/dbraw/zinc/83/27/67/343832767.db2.gz GZJIOAMIBDEQLW-JTQLQIEISA-N -1 3 294.355 1.293 10 0 CDAEHM CC(C)(C)OC(=O)[C@@H](CNC(=O)c1cnn[n-]1)C1CCC1 ZINC000598571640 343832770 /nfs/dbraw/zinc/83/27/70/343832770.db2.gz GZJIOAMIBDEQLW-JTQLQIEISA-N -1 3 294.355 1.293 10 0 CDAEHM CC(C)(C)OC(=O)[C@@H](CNC(=O)c1cn[n-]n1)C1CCC1 ZINC000598571640 343832773 /nfs/dbraw/zinc/83/27/73/343832773.db2.gz GZJIOAMIBDEQLW-JTQLQIEISA-N -1 3 294.355 1.293 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]C(C)(C)/C=C/Cl ZINC000921506347 684540745 /nfs/dbraw/zinc/54/07/45/684540745.db2.gz CZZRXDHITJBPDN-LFAOLKIESA-N -1 3 288.822 1.470 10 0 CDAEHM COC(=O)[C@@H]1CCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000599110850 343960846 /nfs/dbraw/zinc/96/08/46/343960846.db2.gz BCGUGLZMFWBKCT-SNVBAGLBSA-N -1 3 263.293 1.336 10 0 CDAEHM CO[C@@H]([C@@H](C)NCc1cccc(C(=O)[O-])n1)C1CC1 ZINC000384403870 684568865 /nfs/dbraw/zinc/56/88/65/684568865.db2.gz VCICEWXNXKAMGZ-RNCFNFMXSA-N -1 3 264.325 1.683 10 0 CDAEHM CCc1cc(C(=O)NC[C@H](OC)[C@@H]2CCOC2)ccc1[O-] ZINC000617129457 344860918 /nfs/dbraw/zinc/86/09/18/344860918.db2.gz HROYVZSQYASCOC-HIFRSBDPSA-N -1 3 293.363 1.736 10 0 CDAEHM CCc1cccc(C(=O)NC[C@H](OC)[C@H]2CCOC2)c1[O-] ZINC000617135265 344916537 /nfs/dbraw/zinc/91/65/37/344916537.db2.gz LGUWVLIXBFATLW-JSGCOSHPSA-N -1 3 293.363 1.736 10 0 CDAEHM CCCC(C)(C)CC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000447760955 362500385 /nfs/dbraw/zinc/50/03/85/362500385.db2.gz RETOCBWCFKERJM-HNNXBMFYSA-N -1 3 295.383 1.403 10 0 CDAEHM CCc1ccc([O-])c(C(=O)NCC[C@H](COC)OC)c1 ZINC000617237801 345052064 /nfs/dbraw/zinc/05/20/64/345052064.db2.gz UWIIIMVPFKOJGU-GFCCVEGCSA-N -1 3 281.352 1.736 10 0 CDAEHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H]1CC12CC2 ZINC000571431665 362514876 /nfs/dbraw/zinc/51/48/76/362514876.db2.gz FAHOSYYKTNEWEI-JTQLQIEISA-N -1 3 271.276 1.244 10 0 CDAEHM CCN=c1[n-]c(C(=O)Nc2c(C)cnn2C)cs1 ZINC000617277301 345119026 /nfs/dbraw/zinc/11/90/26/345119026.db2.gz FJXFIYIBYPPGJR-UHFFFAOYSA-N -1 3 265.342 1.291 10 0 CDAEHM CCc1cc([N-]C(=O)c2sccc2OC)no1 ZINC000606891265 345100526 /nfs/dbraw/zinc/10/05/26/345100526.db2.gz UUUIVEBZACRECK-UHFFFAOYSA-N -1 3 252.295 1.981 10 0 CDAEHM CCc1nocc1C(=O)[N-]c1nnc(C2CC2)n1C ZINC000617294297 345132685 /nfs/dbraw/zinc/13/26/85/345132685.db2.gz HDPSCHFJUANYFV-UHFFFAOYSA-N -1 3 261.285 1.495 10 0 CDAEHM CC(C)(C)[C@@H]1CCN(C(=O)c2cc(=O)[n-]cn2)C[C@H]1O ZINC000626372331 345277926 /nfs/dbraw/zinc/27/79/26/345277926.db2.gz YORZAZRWLQTERX-MWLCHTKSSA-N -1 3 279.340 1.051 10 0 CDAEHM CC[C@H](NCc1nc(C)ccc1[O-])[C@@H](O)C(F)F ZINC000295114519 199351327 /nfs/dbraw/zinc/35/13/27/199351327.db2.gz VNAFEWUJYFSNDL-GZMMTYOYSA-N -1 3 260.284 1.590 10 0 CDAEHM CCCN(CCC)S(=O)(=O)[N-]c1c(C)nn(C)c1C ZINC000608007256 345508168 /nfs/dbraw/zinc/50/81/68/345508168.db2.gz TYIHVXLCGPKEOT-UHFFFAOYSA-N -1 3 288.417 1.816 10 0 CDAEHM CC(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H](CO)C2)cc1[O-] ZINC000412938918 362661799 /nfs/dbraw/zinc/66/17/99/362661799.db2.gz PWMHNUOVFANPQP-YPMHNXCESA-N -1 3 291.347 1.876 10 0 CDAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@H](C)O1 ZINC000384957266 346093959 /nfs/dbraw/zinc/09/39/59/346093959.db2.gz RXQRELKRQHXVQY-WEDXCCLWSA-N -1 3 286.378 1.464 10 0 CDAEHM C/C=C\C[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000385102229 346113779 /nfs/dbraw/zinc/11/37/79/346113779.db2.gz ZYFYUJKDDYFVBU-PLNGDYQASA-N -1 3 289.378 1.698 10 0 CDAEHM CCCN(CCN(C)C)C(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000085341355 179026181 /nfs/dbraw/zinc/02/61/81/179026181.db2.gz SIESVALJLQNARN-RYUDHWBXSA-N -1 3 285.388 1.223 10 0 CDAEHM C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@@H]1O ZINC000351945559 362698953 /nfs/dbraw/zinc/69/89/53/362698953.db2.gz RKKJLCYLFNQERX-KOLCDFICSA-N -1 3 299.330 1.894 10 0 CDAEHM CCCn1c(=O)[n-]nc1S[C@H](C)c1nnc(C)[nH]1 ZINC000412984040 362715158 /nfs/dbraw/zinc/71/51/58/362715158.db2.gz OYLKESKFZMRUMG-ZCFIWIBFSA-N -1 3 268.346 1.674 10 0 CDAEHM CCC(=O)Nc1ccc(C)c(NC(=O)[C@H](N)CC(=O)[O-])c1 ZINC000085812698 179178285 /nfs/dbraw/zinc/17/82/85/179178285.db2.gz UVWSYHLWFLBWIX-SNVBAGLBSA-N -1 3 293.323 1.084 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)Nc1cc(Cl)cc2cccnc21 ZINC000085812457 179178532 /nfs/dbraw/zinc/17/85/32/179178532.db2.gz BYRUGIWHJIIHQQ-VIFPVBQESA-N -1 3 293.710 1.629 10 0 CDAEHM N[C@@H](CCC(=O)[O-])C(=O)N[C@@H]1CCSc2ccccc21 ZINC000085819155 179182300 /nfs/dbraw/zinc/18/23/00/179182300.db2.gz FNWBBEFYNKTMFG-WDEREUQCSA-N -1 3 294.376 1.532 10 0 CDAEHM N[C@H](CCC(=O)[O-])C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085819733 179183165 /nfs/dbraw/zinc/18/31/65/179183165.db2.gz LWGSWVZGZJILBL-XHNCKOQMSA-N -1 3 296.289 1.416 10 0 CDAEHM 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/nfs/dbraw/zinc/02/18/36/191021836.db2.gz DKSFPKKNHNFINO-UHFFFAOYSA-N -1 3 292.295 1.091 10 0 CDAEHM COCCOc1cccc(C(=O)Nc2nc(OC)n[n-]2)c1 ZINC000271239343 191021840 /nfs/dbraw/zinc/02/18/40/191021840.db2.gz DKSFPKKNHNFINO-UHFFFAOYSA-N -1 3 292.295 1.091 10 0 CDAEHM CNC(=O)c1nn[n-]c1NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000333196162 362957082 /nfs/dbraw/zinc/95/70/82/362957082.db2.gz WGKZCVJTOPUYFO-BDAKNGLRSA-N -1 3 293.371 1.565 10 0 CDAEHM CNC(=O)c1[n-]nnc1NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000333196162 362957088 /nfs/dbraw/zinc/95/70/88/362957088.db2.gz WGKZCVJTOPUYFO-BDAKNGLRSA-N -1 3 293.371 1.565 10 0 CDAEHM CNC(=O)c1n[n-]nc1NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000333196162 362957093 /nfs/dbraw/zinc/95/70/93/362957093.db2.gz WGKZCVJTOPUYFO-BDAKNGLRSA-N -1 3 293.371 1.565 10 0 CDAEHM COc1ccc(C[C@H](C)NC(=O)c2c[n-]nn2)cc1OC ZINC000106810605 186136565 /nfs/dbraw/zinc/13/65/65/186136565.db2.gz NUOPSUYSRLFQJN-VIFPVBQESA-N -1 3 290.323 1.183 10 0 CDAEHM COc1ccc(C[C@H](C)NC(=O)c2cnn[n-]2)cc1OC ZINC000106810605 186136566 /nfs/dbraw/zinc/13/65/66/186136566.db2.gz NUOPSUYSRLFQJN-VIFPVBQESA-N -1 3 290.323 1.183 10 0 CDAEHM COc1ccc(C[C@H](C)NC(=O)c2cn[n-]n2)cc1OC ZINC000106810605 186136568 /nfs/dbraw/zinc/13/65/68/186136568.db2.gz NUOPSUYSRLFQJN-VIFPVBQESA-N -1 3 290.323 1.183 10 0 CDAEHM COC(=O)[C@@H]1CCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000108459198 186217666 /nfs/dbraw/zinc/21/76/66/186217666.db2.gz BCCZTDSWRYNVPA-SNVBAGLBSA-N -1 3 263.293 1.336 10 0 CDAEHM COC(=O)[C@H]1CCCN(C(=O)c2cccc(OC)c2[O-])C1 ZINC000112282736 365984561 /nfs/dbraw/zinc/98/45/61/365984561.db2.gz MAJOOUUIKNCGNH-JTQLQIEISA-N -1 3 293.319 1.426 10 0 CDAEHM C[C@@]12COC[C@H]1CN(C(=O)c1cc(F)c[n-]c1=O)C2 ZINC000622172361 351051673 /nfs/dbraw/zinc/05/16/73/351051673.db2.gz JEJDJTAROXYQMT-AMIZOPFISA-N -1 3 266.272 1.035 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)CCCO)o1 ZINC000451686428 363070399 /nfs/dbraw/zinc/07/03/99/363070399.db2.gz PILKHZZMNQNHJQ-SECBINFHSA-N -1 3 261.343 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CCO[C@@H](C)C(=O)Nc1nc(-c2ccc(C)s2)n[n-]1 ZINC000058420411 357402028 /nfs/dbraw/zinc/40/20/28/357402028.db2.gz ZEKMTFJYKWOXGA-QMMMGPOBSA-N -1 3 280.353 1.627 10 0 CDAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000408006251 357753890 /nfs/dbraw/zinc/75/38/90/357753890.db2.gz ZFRQUBWLVINQSY-DTWKUNHWSA-N -1 3 292.339 1.265 10 0 CDAEHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000188533900 357908632 /nfs/dbraw/zinc/90/86/32/357908632.db2.gz KQKVERAMNSPCFU-UWVGGRQHSA-N -1 3 275.345 1.836 10 0 CDAEHM CCO[C@H]1C[C@](CO)(NC(=O)c2cccc([O-])c2)C1(C)C ZINC000188882215 357947995 /nfs/dbraw/zinc/94/79/95/357947995.db2.gz MUFIGUBVSGJZBW-XJKSGUPXSA-N -1 3 293.363 1.688 10 0 CDAEHM O=C([N-]c1cnns1)C(=O)NC1CCC2(CC2)CC1 ZINC000277425071 295965165 /nfs/dbraw/zinc/96/51/65/295965165.db2.gz DFGOHBFNJMNMQC-UHFFFAOYSA-N -1 3 280.353 1.316 10 0 CDAEHM CC1(C)[C@H](O)C[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000129948369 358292594 /nfs/dbraw/zinc/29/25/94/358292594.db2.gz 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/nfs/dbraw/zinc/46/53/27/279465327.db2.gz TYHZLTUAYCLWST-LLVKDONJSA-N -1 3 289.335 1.663 10 0 CDAEHM CC[C@@H](C)CC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000515093330 280871309 /nfs/dbraw/zinc/87/13/09/280871309.db2.gz HZUZZFZMSDKYMN-ZJUUUORDSA-N -1 3 265.361 1.327 10 0 CDAEHM COCc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)no1 ZINC000527499405 281145404 /nfs/dbraw/zinc/14/54/04/281145404.db2.gz AYVAETHGZQAEGH-NSHDSACASA-N -1 3 292.295 1.070 10 0 CDAEHM COc1cccc(C(=O)N[C@@]23C[C@@H]2COC3(C)C)c1[O-] ZINC000529786100 281359934 /nfs/dbraw/zinc/35/99/34/281359934.db2.gz RKZOMYQDBGFZHT-PSLIRLAXSA-N -1 3 277.320 1.698 10 0 CDAEHM COc1cc(=NC(=O)c2oc(CC(C)C)nc2C)[n-]n1C ZINC000530556597 281544011 /nfs/dbraw/zinc/54/40/11/281544011.db2.gz LFDMVGNOIMYHKP-UHFFFAOYSA-N -1 3 292.339 1.598 10 0 CDAEHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)[C@H]1CCSC1 ZINC000532399944 281977015 /nfs/dbraw/zinc/97/70/15/281977015.db2.gz QXGCMXNBLIBHHV-JTQLQIEISA-N -1 3 274.349 1.585 10 0 CDAEHM Cc1nc2c(s1)[C@@H](N=c1ncnc3[nH][n-]cc1-3)CCC2 ZINC000376826348 282030320 /nfs/dbraw/zinc/03/03/20/282030320.db2.gz AHNOVXKMPMDVNN-JTQLQIEISA-N -1 3 286.364 1.981 10 0 CDAEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1CCCS1 ZINC000095234001 289062693 /nfs/dbraw/zinc/06/26/93/289062693.db2.gz OPIKKALGXQPDFO-NSHDSACASA-N -1 3 289.364 1.625 10 0 CDAEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1CCCS1 ZINC000095234001 289062696 /nfs/dbraw/zinc/06/26/96/289062696.db2.gz OPIKKALGXQPDFO-NSHDSACASA-N -1 3 289.364 1.625 10 0 CDAEHM CN(C)[C@@H]1CCCN(C(=O)c2s[n-]c(=O)c2Cl)C1 ZINC000283074040 289295997 /nfs/dbraw/zinc/29/59/97/289295997.db2.gz NNWDZVNQAOQERQ-SSDOTTSWSA-N -1 3 289.788 1.668 10 0 CDAEHM CN(C)[C@H]1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000132232207 289384994 /nfs/dbraw/zinc/38/49/94/289384994.db2.gz KMEFOFPMDMUGJV-VIFPVBQESA-N -1 3 286.734 1.961 10 0 CDAEHM COc1cc(=NC(=O)[C@H](C)Cc2ccc(C)cc2)[n-]n1C ZINC000547492435 289780147 /nfs/dbraw/zinc/78/01/47/289780147.db2.gz FOROFMPSRNHXED-GFCCVEGCSA-N -1 3 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/nfs/dbraw/zinc/34/56/45/294345645.db2.gz XXRPJARBYXEOOI-GARJFASQSA-N -1 3 277.372 1.183 10 0 CDAEHM CCO[C@@H](CC[N-]S(=O)(=O)c1cscn1)C(C)C ZINC000574634940 295030443 /nfs/dbraw/zinc/03/04/43/295030443.db2.gz VTQHEYILKKMLJW-JTQLQIEISA-N -1 3 292.426 1.873 10 0 CDAEHM CC[C@H]1[C@H](CO)CCN1C(=O)N=c1cc2ccccn2[n-]1 ZINC000577710979 317385316 /nfs/dbraw/zinc/38/53/16/317385316.db2.gz HYHNZAOSOXNWJC-AAEUAGOBSA-N -1 3 288.351 1.381 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-]CC[C@H]2CCOC2)c1 ZINC000577934059 317433094 /nfs/dbraw/zinc/43/30/94/317433094.db2.gz BTZBCJRVGYJUOY-JTQLQIEISA-N -1 3 275.395 1.761 10 0 CDAEHM O=S(=O)([N-][C@H]1CCOC2(CCC2)C1)c1cscn1 ZINC000577950712 317437884 /nfs/dbraw/zinc/43/78/84/317437884.db2.gz YHPYPJOIWCLDAS-VIFPVBQESA-N -1 3 288.394 1.523 10 0 CDAEHM CC1(C)COCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000578879961 324047421 /nfs/dbraw/zinc/04/74/21/324047421.db2.gz AHICPUOHXCGVQC-UHFFFAOYSA-N -1 3 277.324 1.311 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)C[C@H]2C=CCCC2)nc1=N 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CCc1cccc(C(=O)N2CCSC[C@H]2CCO)c1[O-] ZINC000678320597 483025439 /nfs/dbraw/zinc/02/54/39/483025439.db2.gz YULYIQGJMAIULM-GFCCVEGCSA-N -1 3 295.404 1.895 10 0 CDAEHM Cc1c(C(=O)N2CCc3nc[n-]c(=O)c3C2)ccn1C ZINC000684976172 483049041 /nfs/dbraw/zinc/04/90/41/483049041.db2.gz JMPDUNPSSXCJIK-UHFFFAOYSA-N -1 3 272.308 1.028 10 0 CDAEHM C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccccc1[O-] ZINC000251885271 483086279 /nfs/dbraw/zinc/08/62/79/483086279.db2.gz VCPQEULIWBKFQR-NEPJUHHUSA-N -1 3 296.392 1.249 10 0 CDAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]C3CC=CC3)cn21 ZINC000668156815 483095008 /nfs/dbraw/zinc/09/50/08/483095008.db2.gz XPGVFFMCZRRYNT-JTQLQIEISA-N -1 3 281.381 1.777 10 0 CDAEHM CO[C@@H](C)CS(=O)(=O)[N-]Cc1ccc(Cl)o1 ZINC000669623460 483263048 /nfs/dbraw/zinc/26/30/48/483263048.db2.gz WFRNVUFHAPIYDO-ZETCQYMHSA-N -1 3 267.734 1.387 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(OC)cc2Cl)[n-]1 ZINC000679320589 483337179 /nfs/dbraw/zinc/33/71/79/483337179.db2.gz YQHMISZWGFXRPS-UHFFFAOYSA-N -1 3 282.687 1.728 10 0 CDAEHM CN(C)c1nc(C(=O)N2CC3(C2)CC(F)(F)C3)cc(=O)[n-]1 ZINC000683414601 483514340 /nfs/dbraw/zinc/51/43/40/483514340.db2.gz SUOUGHKCOODNPU-UHFFFAOYSA-N -1 3 298.293 1.120 10 0 CDAEHM Cn1[n-]c(CN[C@H](CC2CC2)c2ccccc2)nc1=O ZINC000680379368 483602874 /nfs/dbraw/zinc/60/28/74/483602874.db2.gz JGJAVEUASYFOHP-CYBMUJFWSA-N -1 3 272.352 1.739 10 0 CDAEHM CCC[C@@](C)(NC(=O)N[C@@H]1CCCN(CC)C1)C(=O)[O-] ZINC000049227815 520923638 /nfs/dbraw/zinc/92/36/38/520923638.db2.gz OLDRINJNYSCJDB-BXUZGUMPSA-N -1 3 285.388 1.413 10 0 CDAEHM CC[C@@H](C)C[N-]S(=O)(=O)c1cc(N)ccc1F ZINC000054466508 521997366 /nfs/dbraw/zinc/99/73/66/521997366.db2.gz GLTZOIHPSVZBSQ-MRVPVSSYSA-N -1 3 260.334 1.732 10 0 CDAEHM CC(C)CN1CCN(CC(=O)c2cc(F)ccc2[O-])CC1 ZINC000055080197 519725748 /nfs/dbraw/zinc/72/57/48/519725748.db2.gz VOCAOMLZVXAKCJ-UHFFFAOYSA-N -1 3 294.370 1.988 10 0 CDAEHM CCN(CC(=O)N[C@@H]1CCCC[C@@H]1C)[C@@H](C)CC(=O)[O-] ZINC000061182417 520345238 /nfs/dbraw/zinc/34/52/38/520345238.db2.gz WLWXUFUVHZSJNS-RWMBFGLXSA-N -1 3 284.400 1.866 10 0 CDAEHM CC1(NC(=O)N2CCCN(CC(=O)[O-])CC2)CCCCC1 ZINC000061146298 520757802 /nfs/dbraw/zinc/75/78/02/520757802.db2.gz YVXYJKUVVDFLMY-UHFFFAOYSA-N -1 3 297.399 1.511 10 0 CDAEHM CCN(C[C@@H](C)C(=O)[O-])C(=O)N[C@@H](C)CN1CCCC1 ZINC000061225380 521193922 /nfs/dbraw/zinc/19/39/22/521193922.db2.gz ZFCIVFMPZBCYOJ-NEPJUHHUSA-N -1 3 285.388 1.223 10 0 CDAEHM CCCC[C@H](N)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050927366 521203493 /nfs/dbraw/zinc/20/34/93/521203493.db2.gz FJLYMJZRKXRDFN-NEPJUHHUSA-N -1 3 270.373 1.750 10 0 CDAEHM CCC(CC)NC(=O)CN(CC)C[C@H](C)C(=O)[O-] ZINC000061218178 521574189 /nfs/dbraw/zinc/57/41/89/521574189.db2.gz WFQJUCNQCXARRI-JTQLQIEISA-N -1 3 258.362 1.334 10 0 CDAEHM CCN1CCC[C@@H](NC(=O)N(CC(=O)[O-])CC(C)C)C1 ZINC000062744243 521619814 /nfs/dbraw/zinc/61/98/14/521619814.db2.gz BMTYLTFBQDLDFD-GFCCVEGCSA-N -1 3 285.388 1.223 10 0 CDAEHM CCN1CCN(c2cc(N)ccc2C(=O)[O-])C[C@@H]1C ZINC000069515305 521696876 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523000401 /nfs/dbraw/zinc/00/04/01/523000401.db2.gz NTNXMNRPNWMPHP-STQMWFEESA-N -1 3 284.400 1.963 10 0 CDAEHM COC(=O)[C@H]([N-]S(=O)(=O)c1cc[nH]c1)c1ccccc1 ZINC000050513657 523929796 /nfs/dbraw/zinc/92/97/96/523929796.db2.gz XEQRCFKHDOAYCK-GFCCVEGCSA-N -1 3 294.332 1.207 10 0 CDAEHM COc1ccc(CN[C@]2(C(=O)[O-])CCOC2)c(OC)c1 ZINC000340674370 524097221 /nfs/dbraw/zinc/09/72/21/524097221.db2.gz FNNLBGLDIJPFMV-CQSZACIVSA-N -1 3 281.308 1.037 10 0 CDAEHM C[C@H](CCC(=O)[O-])N1CCN(c2ccccn2)CC1 ZINC000050956393 524119225 /nfs/dbraw/zinc/11/92/25/524119225.db2.gz KUJWHPVNSGSGHQ-GFCCVEGCSA-N -1 3 263.341 1.457 10 0 CDAEHM C[C@@H](CN=c1[n-]nc(C2CCOCC2)s1)N(C)C ZINC000338654565 524636636 /nfs/dbraw/zinc/63/66/36/524636636.db2.gz OAVPGCOMAQJFSW-VIFPVBQESA-N -1 3 270.402 1.216 10 0 CDAEHM C[C@H]1CNC[C@H](C)N1C(=O)c1ccc(Cl)cc1[O-] ZINC000069132708 524696400 /nfs/dbraw/zinc/69/64/00/524696400.db2.gz WQLZFQMJRMNBBP-IUCAKERBSA-N -1 3 268.744 1.868 10 0 CDAEHM Cc1ccc([N-]S(=O)(=O)c2ccc(N)nc2)c(F)c1 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/nfs/dbraw/zinc/25/94/63/687259463.db2.gz SYJBKVGOXWBAKV-UHFFFAOYSA-N -1 3 282.250 1.630 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC000847029623 687568881 /nfs/dbraw/zinc/56/88/81/687568881.db2.gz VTSSGSBRISRISN-ZETCQYMHSA-N -1 3 287.266 1.960 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC000847029623 687568892 /nfs/dbraw/zinc/56/88/92/687568892.db2.gz VTSSGSBRISRISN-ZETCQYMHSA-N -1 3 287.266 1.960 10 0 CDAEHM COc1ccc(C(=O)N[C@H]2CCn3cncc32)c([O-])c1 ZINC000857989464 687790376 /nfs/dbraw/zinc/79/03/76/687790376.db2.gz HSPPMIREIPVWFU-NSHDSACASA-N -1 3 273.292 1.472 10 0 CDAEHM C[C@@H]1CCc2nc(C(=O)Nc3ncccc3[O-])cn2C1 ZINC000857944707 687874127 /nfs/dbraw/zinc/87/41/27/687874127.db2.gz LXPLAOCTPBBDSN-SECBINFHSA-N -1 3 272.308 1.818 10 0 CDAEHM C[C@@H]1CC[C@H](O)CN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000422029812 687882224 /nfs/dbraw/zinc/88/22/24/687882224.db2.gz JBPVOZWWLDLLLJ-BDAKNGLRSA-N -1 3 279.292 1.106 10 0 CDAEHM Cc1ncc([C@H](C)[N-]S(=O)(=O)c2ccc(C)nn2)s1 ZINC000867619240 687892439 /nfs/dbraw/zinc/89/24/39/687892439.db2.gz GOOCRZJOZYUNOA-QMMMGPOBSA-N -1 3 298.393 1.589 10 0 CDAEHM O=c1[n-]c(C2CCN(C[C@@H]3CC3(Cl)Cl)CC2)n[nH]1 ZINC000808755050 687898134 /nfs/dbraw/zinc/89/81/34/687898134.db2.gz BSCWNYXLOYCDAB-QMMMGPOBSA-N -1 3 291.182 1.884 10 0 CDAEHM CO[C@H](COC(=O)c1cccc2nn[n-]c21)C1CC1 ZINC000820539728 688018266 /nfs/dbraw/zinc/01/82/66/688018266.db2.gz SGPADXDBRFCTOP-LLVKDONJSA-N -1 3 261.281 1.540 10 0 CDAEHM CO[C@H](COC(=O)c1cccc2[n-]nnc21)C1CC1 ZINC000820539728 688018275 /nfs/dbraw/zinc/01/82/75/688018275.db2.gz SGPADXDBRFCTOP-LLVKDONJSA-N -1 3 261.281 1.540 10 0 CDAEHM CO[C@H](COC(=O)c1cccc2n[n-]nc21)C1CC1 ZINC000820539728 688018276 /nfs/dbraw/zinc/01/82/76/688018276.db2.gz SGPADXDBRFCTOP-LLVKDONJSA-N -1 3 261.281 1.540 10 0 CDAEHM C[C@@H](O)[C@@H](C)NC(=O)c1cc([O-])cc(Br)c1 ZINC000700816466 688092305 /nfs/dbraw/zinc/09/23/05/688092305.db2.gz MMVSNIQRPCLAER-RNFRBKRXSA-N -1 3 288.141 1.654 10 0 CDAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCCC12CC2 ZINC000867580139 688171042 /nfs/dbraw/zinc/17/10/42/688171042.db2.gz UQHJUOPQTOCOHM-XXFAHNHDSA-N -1 3 280.415 1.271 10 0 CDAEHM CS/C=C\C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000794217282 688171250 /nfs/dbraw/zinc/17/12/50/688171250.db2.gz HVFICFPSGHSBLU-PLNGDYQASA-N -1 3 293.348 1.398 10 0 CDAEHM CC[C@H](C[C@@H](C)O)[N-]S(=O)(=O)c1cccnc1Cl ZINC000716792604 688185496 /nfs/dbraw/zinc/18/54/96/688185496.db2.gz FPYABJFHKUBMDU-RKDXNWHRSA-N -1 3 292.788 1.563 10 0 CDAEHM O=c1[n-]c(CNc2ncccc2Cl)nc2c1COCC2 ZINC000866290180 1164763658 /nfs/dbraw/zinc/76/36/58/1164763658.db2.gz RYHMURAFWQFEMX-UHFFFAOYSA-N -1 3 292.726 1.915 10 0 CDAEHM O=C(Cc1ccnc(F)c1)[N-]OCC(F)(F)F ZINC001622166539 1165717927 /nfs/dbraw/zinc/71/79/27/1165717927.db2.gz XARBTYKAALSBAI-UHFFFAOYSA-N -1 3 252.167 1.373 10 0 CDAEHM O=C([N-][C@@H]1C[C@H]1[C@H]1CCCO1)C(F)(F)C(F)F ZINC001631493417 1166280572 /nfs/dbraw/zinc/28/05/72/1166280572.db2.gz OOBXJEQPMASOLN-FSDSQADBSA-N -1 3 255.211 1.571 10 0 CDAEHM COc1nnc(NC(=O)c2cc3c(cccc3OC)[nH]2)[n-]1 ZINC001631844559 1166307644 /nfs/dbraw/zinc/30/76/44/1166307644.db2.gz QUWQIMUJQRZXOK-UHFFFAOYSA-N -1 3 287.279 1.556 10 0 CDAEHM COc1nc(NC(=O)c2cc3c(cccc3OC)[nH]2)n[n-]1 ZINC001631844559 1166307650 /nfs/dbraw/zinc/30/76/50/1166307650.db2.gz QUWQIMUJQRZXOK-UHFFFAOYSA-N -1 3 287.279 1.556 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cc3c(cccc3OC)[nH]2)n1 ZINC001631844559 1166307658 /nfs/dbraw/zinc/30/76/58/1166307658.db2.gz QUWQIMUJQRZXOK-UHFFFAOYSA-N -1 3 287.279 1.556 10 0 CDAEHM CCCCC[C@@H](O)C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001637976633 1166807614 /nfs/dbraw/zinc/80/76/14/1166807614.db2.gz POWIOCRBEGBDEU-GFCCVEGCSA-N -1 3 293.367 1.617 10 0 CDAEHM C[C@H](NC(=O)[C@@H]1C[C@H]1F)c1nc(C(F)(F)F)n[n-]1 ZINC001645534584 1167412502 /nfs/dbraw/zinc/41/25/02/1167412502.db2.gz ZZXIBWMDQDKNID-VPENINKCSA-N -1 3 266.198 1.359 10 0 CDAEHM O=C([C@@H]1Cc2cccnc2C1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001649323849 1169199760 /nfs/dbraw/zinc/19/97/60/1169199760.db2.gz GNUVDFMYSDOIPV-VXGBXAGGSA-N -1 3 298.346 1.241 10 0 CDAEHM C[C@]1(C(=O)[O-])C[C@H](NCc2nc3ccccc3o2)CCO1 ZINC001650016510 1169612231 /nfs/dbraw/zinc/61/22/31/1169612231.db2.gz KCJUDOVQCBFPKJ-MEBBXXQBSA-N -1 3 290.319 1.940 10 0 CDAEHM C[C@H](C(=O)N1CCC(Cc2nnn[n-]2)CC1)C(F)(F)F ZINC001650584142 1171208736 /nfs/dbraw/zinc/20/87/36/1171208736.db2.gz HNOGQMZPLVUGIA-SSDOTTSWSA-N -1 3 291.277 1.179 10 0 CDAEHM C[C@H](C(=O)N1CCC(Cc2nn[n-]n2)CC1)C(F)(F)F ZINC001650584142 1171208741 /nfs/dbraw/zinc/20/87/41/1171208741.db2.gz HNOGQMZPLVUGIA-SSDOTTSWSA-N -1 3 291.277 1.179 10 0 CDAEHM CC1SC(C(=O)Nc2ccc(O)cc2[O-])=NC1=O ZINC001651157917 1171292992 /nfs/dbraw/zinc/29/29/92/1171292992.db2.gz WOKYKQMDRNYUTB-UHFFFAOYSA-N -1 3 266.278 1.821 10 0 CDAEHM Cc1ccc(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)o1 ZINC001651175015 1171297824 /nfs/dbraw/zinc/29/78/24/1171297824.db2.gz JHQGVPPAFRDZIZ-UHFFFAOYSA-N -1 3 284.271 1.402 10 0 CDAEHM O=C(NCCc1ccnc2ccccc12)c1cc(=O)[n-]cn1 ZINC001584053139 1172797697 /nfs/dbraw/zinc/79/76/97/1172797697.db2.gz QTXHKIVMWCOPKG-UHFFFAOYSA-N -1 3 294.314 1.703 10 0 CDAEHM CCOc1nnc(NC(=O)c2ccnn2-c2ccccc2)[n-]1 ZINC001587744071 1172996951 /nfs/dbraw/zinc/99/69/51/1172996951.db2.gz LDPXCKCSLXDSQU-UHFFFAOYSA-N -1 3 298.306 1.641 10 0 CDAEHM CCOc1nc(NC(=O)c2ccnn2-c2ccccc2)n[n-]1 ZINC001587744071 1172996958 /nfs/dbraw/zinc/99/69/58/1172996958.db2.gz LDPXCKCSLXDSQU-UHFFFAOYSA-N -1 3 298.306 1.641 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2ccnn2-c2ccccc2)n1 ZINC001587744071 1172996964 /nfs/dbraw/zinc/99/69/64/1172996964.db2.gz LDPXCKCSLXDSQU-UHFFFAOYSA-N -1 3 298.306 1.641 10 0 CDAEHM COC(=O)CCCO[N-]C(=O)CCCOC(C)C ZINC001597919566 1174299348 /nfs/dbraw/zinc/29/93/48/1174299348.db2.gz YHSQUDKMWOAXDH-UHFFFAOYSA-N -1 3 261.318 1.193 10 0 CDAEHM O=C(NC/C=C\CNCc1ncccn1)c1ccccc1[O-] ZINC001699232369 1176158300 /nfs/dbraw/zinc/15/83/00/1176158300.db2.gz NTLXKXVVLCKZLI-ARJAWSKDSA-N -1 3 298.346 1.258 10 0 CDAEHM CN(CCNCc1ncccn1)C(=O)c1ccccc1[O-] ZINC001714684997 1179327307 /nfs/dbraw/zinc/32/73/07/1179327307.db2.gz JWQUBXQYSBFUJL-UHFFFAOYSA-N -1 3 286.335 1.044 10 0 CDAEHM COCC(=O)NCCC[C@H](C)NC(=O)c1ccccc1[O-] ZINC001726254638 1182191629 /nfs/dbraw/zinc/19/16/29/1182191629.db2.gz SOSIJWBLYXMGOG-NSHDSACASA-N -1 3 294.351 1.053 10 0 CDAEHM CC(C)[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1ccccc1[O-] ZINC000184964654 1184080750 /nfs/dbraw/zinc/08/07/50/1184080750.db2.gz YEVMBFSXWUIACV-QWHCGFSZSA-N -1 3 290.363 1.530 10 0 CDAEHM CC/C(C)=C\C(=O)N(C)CCNC(=O)c1ccccc1[O-] ZINC001737709429 1184183350 /nfs/dbraw/zinc/18/33/50/1184183350.db2.gz FQJYIOZLUZQMTM-QXMHVHEDSA-N -1 3 290.363 1.937 10 0 CDAEHM COC(=O)c1ccc(C(=O)[N-]c2nnc(C3CC3)n2C)o1 ZINC001771809866 1186882756 /nfs/dbraw/zinc/88/27/56/1186882756.db2.gz YOQBMNKMEQFTIS-UHFFFAOYSA-N -1 3 290.279 1.324 10 0 CDAEHM CCC(CC)(CC)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001628274080 1166058941 /nfs/dbraw/zinc/05/89/41/1166058941.db2.gz BEDJRCPFYJALGF-NSHDSACASA-N -1 3 267.373 1.831 10 0 CDAEHM COc1ccc(OC)c(CN[C@@H](COC(C)C)C(=O)[O-])c1 ZINC001646081409 1167637721 /nfs/dbraw/zinc/63/77/21/1167637721.db2.gz IFUKDRBRFUHEMO-ZDUSSCGKSA-N -1 3 297.351 1.672 10 0 CDAEHM O=C(NCCCc1ccco1)c1cccc2n[n-]nc21 ZINC001646605505 1167970817 /nfs/dbraw/zinc/97/08/17/1167970817.db2.gz NSZITKWUHIAOED-UHFFFAOYSA-N -1 3 270.292 1.914 10 0 CDAEHM CN(CCNCc1cccnc1)C(=O)c1ncccc1[O-] ZINC001266681677 895817445 /nfs/dbraw/zinc/81/74/45/895817445.db2.gz BPLJSNQRKHUWKA-UHFFFAOYSA-N -1 3 286.335 1.044 10 0 CDAEHM Cn1ccc(-c2nc(CNCCCC(=O)[O-])cs2)n1 ZINC001350653714 897393892 /nfs/dbraw/zinc/39/38/92/897393892.db2.gz QLUMCSQWIZWWAL-UHFFFAOYSA-N -1 3 280.353 1.498 10 0 CDAEHM Cn1cc(CNCCCC(=O)[O-])c(Br)n1 ZINC000712402184 904399766 /nfs/dbraw/zinc/39/97/66/904399766.db2.gz RMBAWYIDZCPESE-UHFFFAOYSA-N -1 3 276.134 1.137 10 0 CDAEHM O=C(NCC=Cc1ccccc1)c1cc(=O)[n-]cn1 ZINC001137897439 936429598 /nfs/dbraw/zinc/42/95/98/936429598.db2.gz LHBCNNSJYNRSPG-QPJJXVBHSA-N -1 3 255.277 1.625 10 0 CDAEHM O=Cc1ccc(CC(=O)Nc2ncccc2[O-])cc1 ZINC001138164754 936483445 /nfs/dbraw/zinc/48/34/45/936483445.db2.gz DZDBWVFEMOZDQR-UHFFFAOYSA-N -1 3 256.261 1.781 10 0 CDAEHM CC(C)OCC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001413719199 936719039 /nfs/dbraw/zinc/71/90/39/936719039.db2.gz YAIYSGWWVUDKIA-ZCFIWIBFSA-N -1 3 280.250 1.426 10 0 CDAEHM Cc1cccc([O-])c1C(=O)Nc1cnc2c(c1)CNC2=O ZINC001413782037 936963760 /nfs/dbraw/zinc/96/37/60/936963760.db2.gz IKOHQMCSAYTIMB-UHFFFAOYSA-N -1 3 283.287 1.591 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(C2CC2)cc1 ZINC001411770732 932007699 /nfs/dbraw/zinc/00/76/99/932007699.db2.gz WPLABZALRCZKFP-AWEZNQCLSA-N -1 3 285.347 1.806 10 0 CDAEHM Cc1nnccc1C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001412699717 932647903 /nfs/dbraw/zinc/64/79/03/932647903.db2.gz AEFCDNZSRJYVOI-UHFFFAOYSA-N -1 3 289.295 1.326 10 0 CDAEHM Cc1nnccc1C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001412699717 932647906 /nfs/dbraw/zinc/64/79/06/932647906.db2.gz AEFCDNZSRJYVOI-UHFFFAOYSA-N -1 3 289.295 1.326 10 0 CDAEHM CC[C@@H](CCC(=O)[O-])NCc1cn(C2CCC2)nn1 ZINC001118376318 937621340 /nfs/dbraw/zinc/62/13/40/937621340.db2.gz JLZUCTZHIDSZCW-JTQLQIEISA-N -1 3 266.345 1.736 10 0 CDAEHM CC(C)CO[N-]C(=O)CC[C@H]1CC[C@H](C2OCCO2)O1 ZINC001119524125 937728018 /nfs/dbraw/zinc/72/80/18/937728018.db2.gz DDSVZQMZBGBROI-VXGBXAGGSA-N -1 3 287.356 1.391 10 0 CDAEHM O=S(=O)([N-][C@@H]1CCO[C@H]1C1CC1)c1cccnc1F ZINC000401825021 940882178 /nfs/dbraw/zinc/88/21/78/940882178.db2.gz LISUIYOQTLUWAW-KOLCDFICSA-N -1 3 286.328 1.067 10 0 CDAEHM CC(C)C1(C[N-]S(=O)(=O)c2cccnc2F)CC1 ZINC000401863950 940883535 /nfs/dbraw/zinc/88/35/35/940883535.db2.gz TUIOTGGZUISUBV-UHFFFAOYSA-N -1 3 272.345 1.935 10 0 CDAEHM COc1cccc([O-])c1C(=O)N1CCC[C@](CO)(OC)C1 ZINC000405282464 940978543 /nfs/dbraw/zinc/97/85/43/940978543.db2.gz UPBDMKIZVQBOGF-HNNXBMFYSA-N -1 3 295.335 1.014 10 0 CDAEHM COc1cccc([O-])c1C(=O)N1CCC[C@@](CO)(OC)C1 ZINC000405282469 940978576 /nfs/dbraw/zinc/97/85/76/940978576.db2.gz UPBDMKIZVQBOGF-OAHLLOKOSA-N -1 3 295.335 1.014 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001362055729 970824333 /nfs/dbraw/zinc/82/43/33/970824333.db2.gz ILTWHGWETRBPKG-NEPJUHHUSA-N -1 3 295.383 1.210 10 0 CDAEHM C[C@@H]1CCC(F)(F)CN1Cc1nc2c(c(=O)[n-]1)COCC2 ZINC001473880225 970875397 /nfs/dbraw/zinc/87/53/97/970875397.db2.gz UMSWOZORQJOICV-SECBINFHSA-N -1 3 299.321 1.875 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(CO)nc1 ZINC001362111035 970900586 /nfs/dbraw/zinc/90/05/86/970900586.db2.gz ADNMDSCXALFYGK-UHFFFAOYSA-N -1 3 276.267 1.349 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001362120936 970912926 /nfs/dbraw/zinc/91/29/26/970912926.db2.gz AYXKWINXRPVMCF-MELADBBJSA-N -1 3 285.347 1.418 10 0 CDAEHM Cn1cc(CNCCC2(CC(=O)[O-])CCCCC2)nn1 ZINC000382162941 943928121 /nfs/dbraw/zinc/92/81/21/943928121.db2.gz NIOMOYPFAUWGJO-UHFFFAOYSA-N -1 3 280.372 1.720 10 0 CDAEHM CSc1ncc(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)c(=O)[n-]1 ZINC001362242752 971062967 /nfs/dbraw/zinc/06/29/67/971062967.db2.gz FTHJNAOALJYAKO-RKDXNWHRSA-N -1 3 296.396 1.069 10 0 CDAEHM CCn1nc(C)c(CNC[C@H](CC(=O)[O-])C2CCCC2)n1 ZINC001650014280 1169607632 /nfs/dbraw/zinc/60/76/32/1169607632.db2.gz KCLWNXKMQHGWDH-ZDUSSCGKSA-N -1 3 294.399 1.977 10 0 CDAEHM CC(C)(C)CC[C@H](NC(=O)c1ccc(O)cc1[O-])C(N)=O ZINC001362740870 971576415 /nfs/dbraw/zinc/57/64/15/971576415.db2.gz FBXVGMFIFMUDEY-NSHDSACASA-N -1 3 294.351 1.508 10 0 CDAEHM C[C@@H](NC(=O)[C@](C)(O)C1CC1)c1nc(C(F)(F)F)n[n-]1 ZINC001363652083 953609048 /nfs/dbraw/zinc/60/90/48/953609048.db2.gz LUSHGGUTGHZHTO-GPXNAGAYSA-N -1 3 292.261 1.162 10 0 CDAEHM CCN1CC[C@@H]1C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001363717462 953692778 /nfs/dbraw/zinc/69/27/78/953692778.db2.gz XDAGWPVSUZJGIU-SNVBAGLBSA-N -1 3 280.328 1.008 10 0 CDAEHM CCN1CC[C@@H]1C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001363717462 953692785 /nfs/dbraw/zinc/69/27/85/953692785.db2.gz XDAGWPVSUZJGIU-SNVBAGLBSA-N -1 3 280.328 1.008 10 0 CDAEHM Cc1cc(C2(C(=O)NCc3nc(C)cc(=O)[n-]3)CC2)on1 ZINC001363773875 953773649 /nfs/dbraw/zinc/77/36/49/953773649.db2.gz VCWCASMEDQAIIA-UHFFFAOYSA-N -1 3 288.307 1.135 10 0 CDAEHM COc1nnc(NC(=O)c2c(C)c(=O)[nH]c3ccccc32)[n-]1 ZINC001295099810 954609706 /nfs/dbraw/zinc/60/97/06/954609706.db2.gz BXRAZYGRXJERGK-UHFFFAOYSA-N -1 3 299.290 1.628 10 0 CDAEHM COc1nc(NC(=O)c2c(C)c(=O)[nH]c3ccccc32)n[n-]1 ZINC001295099810 954609716 /nfs/dbraw/zinc/60/97/16/954609716.db2.gz BXRAZYGRXJERGK-UHFFFAOYSA-N -1 3 299.290 1.628 10 0 CDAEHM COc1n[n-]c(NC(=O)c2c(C)c(=O)[nH]c3ccccc32)n1 ZINC001295099810 954609732 /nfs/dbraw/zinc/60/97/32/954609732.db2.gz BXRAZYGRXJERGK-UHFFFAOYSA-N -1 3 299.290 1.628 10 0 CDAEHM Cc1cnc(CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)cn1 ZINC001364491891 954684582 /nfs/dbraw/zinc/68/45/82/954684582.db2.gz YRELKLYMYSDFLM-UHFFFAOYSA-N -1 3 283.335 1.674 10 0 CDAEHM C[C@H](c1nc(C2CC2)no1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001364505617 954702177 /nfs/dbraw/zinc/70/21/77/954702177.db2.gz SWWJVKLJBBORON-APPZFPTMSA-N -1 3 275.316 1.011 10 0 CDAEHM C[C@H](c1nc(C2CC2)no1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001364505617 954702186 /nfs/dbraw/zinc/70/21/86/954702186.db2.gz SWWJVKLJBBORON-APPZFPTMSA-N -1 3 275.316 1.011 10 0 CDAEHM O=C(CCc1cn[nH]c1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001364691187 955037928 /nfs/dbraw/zinc/03/79/28/955037928.db2.gz FQONXNSXZAZCAE-UHFFFAOYSA-N -1 3 299.334 1.258 10 0 CDAEHM Cc1nc([C@H](C)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)no1 ZINC001363298994 972065987 /nfs/dbraw/zinc/06/59/87/972065987.db2.gz SHGTTWOKMWPWAF-ZETCQYMHSA-N -1 3 287.323 1.828 10 0 CDAEHM Cc1nonc1C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001365029246 955518510 /nfs/dbraw/zinc/51/85/10/955518510.db2.gz WBKQQCUMPKJCLQ-BYPYZUCNSA-N -1 3 290.205 1.006 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C=CCCC2)nn1 ZINC001329379192 955864781 /nfs/dbraw/zinc/86/47/81/955864781.db2.gz RCQSIHKVQIXJIW-SNVBAGLBSA-N -1 3 253.327 1.172 10 0 CDAEHM O=C([O-])[C@@H](NCc1ccccc1F)[C@H]1CCCO1 ZINC001329685814 956062985 /nfs/dbraw/zinc/06/29/85/956062985.db2.gz KQVSDYAUSWMKLJ-NEPJUHHUSA-N -1 3 253.273 1.548 10 0 CDAEHM C[C@@H]1CN(C(=O)c2coc(/C=C\C(=O)[O-])c2)[C@H](C)CN1 ZINC001329689223 956066386 /nfs/dbraw/zinc/06/63/86/956066386.db2.gz OCSRWXCBVYFRAY-HWKXXFMVSA-N -1 3 278.308 1.200 10 0 CDAEHM CCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-] ZINC001494650900 972278216 /nfs/dbraw/zinc/27/82/16/972278216.db2.gz QOJRWHDWRVOULW-STQMWFEESA-N -1 3 289.379 1.876 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ncc[nH]1 ZINC001418721697 960948317 /nfs/dbraw/zinc/94/83/17/960948317.db2.gz YWGDBMLKNIFTIE-UHFFFAOYSA-N -1 3 273.296 1.103 10 0 CDAEHM O=C([C@@H]1C[C@H]1C(F)(F)F)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001434144510 961028875 /nfs/dbraw/zinc/02/88/75/961028875.db2.gz BHCRJZHEQZRSMR-BWZBUEFSSA-N -1 3 289.257 1.630 10 0 CDAEHM CC(=O)c1ccc(C(=O)Nc2cn(C)nc2C)cc1[O-] ZINC001434172215 961054035 /nfs/dbraw/zinc/05/40/35/961054035.db2.gz VOEAOKJPMSAXBH-UHFFFAOYSA-N -1 3 273.292 1.889 10 0 CDAEHM O=C(C[C@@H]1C[C@H]1C1CC1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001434346879 961180595 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292.368 1.024 10 0 CDAEHM Cc1cccc(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)c1[O-] ZINC000617433173 345532324 /nfs/dbraw/zinc/53/23/24/345532324.db2.gz ORSYVIVGHYKVEX-KOLCDFICSA-N -1 3 272.308 1.728 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)c1 ZINC000617431358 345532944 /nfs/dbraw/zinc/53/29/44/345532944.db2.gz XQISDGZEGPZVSX-KOLCDFICSA-N -1 3 272.308 1.728 10 0 CDAEHM C[C@H](Nc1nc(CCN(C)C)nc2ccccc21)C(=O)[O-] ZINC000001316807 345583466 /nfs/dbraw/zinc/58/34/66/345583466.db2.gz NINLPOCBVPBTMW-JTQLQIEISA-N -1 3 288.351 1.619 10 0 CDAEHM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000398790447 345584625 /nfs/dbraw/zinc/58/46/25/345584625.db2.gz KDSZIAKHCKTKOI-WOPDTQHZSA-N -1 3 282.384 1.334 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-]C2C[C@H](C)C[C@H](C)C2)c[nH]1 ZINC000084980180 178938211 /nfs/dbraw/zinc/93/82/11/178938211.db2.gz ASQXYBYCONXJSW-SLHIUPAKSA-N -1 3 271.386 1.821 10 0 CDAEHM O=S(=O)(CCO)[N-]c1ccc(Cl)c(F)c1 ZINC000085016730 178942425 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ZINC000614256583 348060053 /nfs/dbraw/zinc/06/00/53/348060053.db2.gz ZYLHOAOUTJNLAA-UHFFFAOYSA-N -1 3 273.292 1.512 10 0 CDAEHM CC(C)(NC(=O)c1ccc2c(c1[O-])CCCC2)C(N)=O ZINC000273324797 192112965 /nfs/dbraw/zinc/11/29/65/192112965.db2.gz QPFGTHNZVFKIHB-UHFFFAOYSA-N -1 3 276.336 1.265 10 0 CDAEHM CC[C@H](CC(F)F)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614931393 348278680 /nfs/dbraw/zinc/27/86/80/348278680.db2.gz RHUVYEMICWDKPL-MRVPVSSYSA-N -1 3 275.299 1.440 10 0 CDAEHM CC(C)(C)OC1CC(CC(=O)[N-]c2nnc3[nH]cnn23)C1 ZINC000614995069 348297436 /nfs/dbraw/zinc/29/74/36/348297436.db2.gz ZXNVIEXJFUZYHS-UHFFFAOYSA-N -1 3 292.343 1.375 10 0 CDAEHM CN1C[C@H]2CCN(C(=O)c3ncc4ccccc4c3[O-])[C@H]2C1 ZINC000615183729 348376070 /nfs/dbraw/zinc/37/60/70/348376070.db2.gz FAGRSLQLWIFNFE-OCCSQVGLSA-N -1 3 297.358 1.717 10 0 CDAEHM CN(C)C1(C(=O)NCc2ccc([O-])c3ncccc23)CC1 ZINC000616019231 349245820 /nfs/dbraw/zinc/24/58/20/349245820.db2.gz AGIDVBVTNTVFBG-UHFFFAOYSA-N -1 3 285.347 1.651 10 0 CDAEHM 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/nfs/dbraw/zinc/37/81/42/351378142.db2.gz ZBADQLUCCDBCTB-UHFFFAOYSA-N -1 3 295.258 1.416 10 0 CDAEHM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc(C)o1)OC ZINC000451678842 363066383 /nfs/dbraw/zinc/06/63/83/363066383.db2.gz ISYFHPBCCLOPAN-MWLCHTKSSA-N -1 3 275.370 1.927 10 0 CDAEHM CCc1cc(C(=O)NCCc2nc(C)no2)ccc1[O-] ZINC000291467803 198030642 /nfs/dbraw/zinc/03/06/42/198030642.db2.gz IWUFEAWPZJHJHM-UHFFFAOYSA-N -1 3 275.308 1.619 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c1 ZINC000451826662 363138861 /nfs/dbraw/zinc/13/88/61/363138861.db2.gz SPWYIIGBDRVQCG-SECBINFHSA-N -1 3 293.339 1.617 10 0 CDAEHM CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccccn2)CCO1 ZINC000451815546 363133829 /nfs/dbraw/zinc/13/38/29/363133829.db2.gz HSKZCWANXNKULU-CHWSQXEVSA-N -1 3 298.408 1.811 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)[C@H](C)CO ZINC000158813977 188395571 /nfs/dbraw/zinc/39/55/71/188395571.db2.gz DVFJLGOVRNOAOW-RKDXNWHRSA-N -1 3 261.318 1.121 10 0 CDAEHM C[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000158788732 188393648 /nfs/dbraw/zinc/39/36/48/188393648.db2.gz KDRUGXVRKSLRDC-YUMQZZPRSA-N -1 3 279.308 1.260 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2CC[C@@H](CO)C[C@H]2C)cs1 ZINC000629672514 363340812 /nfs/dbraw/zinc/34/08/12/363340812.db2.gz NDHSZLYQSKOYKN-NXEZZACHSA-N -1 3 283.397 1.230 10 0 CDAEHM O=C1C[C@@]2(CCOC2)C(=O)[N-]N1c1ccc(F)cc1F ZINC000634581761 356125115 /nfs/dbraw/zinc/12/51/15/356125115.db2.gz CSFMHWQOLICGQN-CYBMUJFWSA-N -1 3 282.246 1.139 10 0 CDAEHM CCN1CCO[C@H](CNC(=O)c2cc(C)ccc2[O-])C1 ZINC000134690312 356376410 /nfs/dbraw/zinc/37/64/10/356376410.db2.gz ZTAXQTUQUFRZJK-GFCCVEGCSA-N -1 3 278.352 1.151 10 0 CDAEHM O=c1cc(-c2ccc[nH]2)[n-]n1C1=N[C@H]2CCCC[C@@H]2N1 ZINC000634636141 356613164 /nfs/dbraw/zinc/61/31/64/356613164.db2.gz WDCUFCZGCMCYHK-QWRGUYRKSA-N -1 3 271.324 1.222 10 0 CDAEHM O=C(NCc1ccc([O-])c2ncccc12)[C@H]1CCCOC1 ZINC000643612617 356919623 /nfs/dbraw/zinc/91/96/23/356919623.db2.gz NPBDYQCMQQNSQJ-LBPRGKRZSA-N -1 3 286.331 1.983 10 0 CDAEHM CCNC(=O)[C@H](C)NC(=O)c1cc(C(C)C)ccc1[O-] ZINC000058343846 357395697 /nfs/dbraw/zinc/39/56/97/357395697.db2.gz QEAQJTKOWVWXIG-JTQLQIEISA-N -1 3 278.352 1.770 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000394013285 357928019 /nfs/dbraw/zinc/92/80/19/357928019.db2.gz CUEBEWPMCPPSLQ-MRVPVSSYSA-N -1 3 288.325 1.033 10 0 CDAEHM COc1ccc2c(c1)CCN2C([O-])=NOC[C@@H]1CCOC1 ZINC000190413286 358071859 /nfs/dbraw/zinc/07/18/59/358071859.db2.gz XIEYOYPEPRXYHQ-LLVKDONJSA-N -1 3 292.335 1.735 10 0 CDAEHM COc1ccc2c(c1)CCN2C(=O)[N-]OC[C@@H]1CCOC1 ZINC000190413286 358071863 /nfs/dbraw/zinc/07/18/63/358071863.db2.gz XIEYOYPEPRXYHQ-LLVKDONJSA-N -1 3 292.335 1.735 10 0 CDAEHM COc1cccc(C(=O)N[C@@H]2C[C@@H](C)O[C@H]2C)c1[O-] ZINC000384859628 358218871 /nfs/dbraw/zinc/21/88/71/358218871.db2.gz GXIDOWGVVFUGGK-WCABBAIRSA-N -1 3 265.309 1.697 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@H](C(F)F)CC2)n1 ZINC000634757961 358316428 /nfs/dbraw/zinc/31/64/28/358316428.db2.gz FCUOBYREGXXGML-ZJUUUORDSA-N -1 3 287.310 1.908 10 0 CDAEHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)[N-]OCC(N)=O)cc1 ZINC000089462616 358410618 /nfs/dbraw/zinc/41/06/18/358410618.db2.gz BOYDPHIFVKYINN-OLZOCXBDSA-N -1 3 276.336 1.447 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CCO[C@H](C3CC3)C2)c1 ZINC000364507779 358436529 /nfs/dbraw/zinc/43/65/29/358436529.db2.gz JFVQVIXOFYEDHV-AWEZNQCLSA-N -1 3 277.320 1.652 10 0 CDAEHM CO[C@H]1C[C@@H](CNC(=O)c2ccc3n[n-]nc3c2)C1 ZINC000629825231 363613480 /nfs/dbraw/zinc/61/34/80/363613480.db2.gz OCZWARPTBDFBHK-WAAGHKOSSA-N -1 3 260.297 1.113 10 0 CDAEHM [O-]c1ccc(Br)c([C@@H](CCO)NO)c1 ZINC000308369233 358736910 /nfs/dbraw/zinc/73/69/10/358736910.db2.gz VPFPOSZBARVLGS-SECBINFHSA-N -1 3 262.103 1.557 10 0 CDAEHM Cc1nc(C)c(CCC(=O)N2CC(C3CC3)C2)c(=O)[n-]1 ZINC000643290471 359367144 /nfs/dbraw/zinc/36/71/44/359367144.db2.gz MSDDPSCBSFALPC-UHFFFAOYSA-N -1 3 275.352 1.600 10 0 CDAEHM COc1cccc(C(=O)N2C[C@@H](C)C(O)[C@H](C)C2)c1[O-] ZINC000618263223 359424281 /nfs/dbraw/zinc/42/42/81/359424281.db2.gz DIKJKHONZSOCRV-NXEZZACHSA-N -1 3 279.336 1.490 10 0 CDAEHM CCc1ncc(C[N-]S(=O)(=O)c2ccc(OC)nc2)o1 ZINC000560316742 359518937 /nfs/dbraw/zinc/51/89/37/359518937.db2.gz DXBVZAOWAOEBQJ-UHFFFAOYSA-N -1 3 297.336 1.119 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-]C[C@H](C)C(C)C)nc1C ZINC000347903849 359660120 /nfs/dbraw/zinc/66/01/20/359660120.db2.gz CVGZUDMFTCFSRB-JTQLQIEISA-N -1 3 273.402 1.782 10 0 CDAEHM CCc1ccc(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c([O-])c1 ZINC000408409888 359748275 /nfs/dbraw/zinc/74/82/75/359748275.db2.gz FWSZMCZLHHFUJZ-UKRRQHHQSA-N -1 3 290.363 1.110 10 0 CDAEHM Cc1ccc(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)c(C)c1 ZINC000297711752 200267458 /nfs/dbraw/zinc/26/74/58/200267458.db2.gz KWYMDFWZBNZPTR-UHFFFAOYSA-N -1 3 299.334 1.566 10 0 CDAEHM Cc1ccc(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)c(C)c1 ZINC000297711752 200267460 /nfs/dbraw/zinc/26/74/60/200267460.db2.gz KWYMDFWZBNZPTR-UHFFFAOYSA-N -1 3 299.334 1.566 10 0 CDAEHM Cc1ccc(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)c(C)c1 ZINC000297711752 200267463 /nfs/dbraw/zinc/26/74/63/200267463.db2.gz KWYMDFWZBNZPTR-UHFFFAOYSA-N -1 3 299.334 1.566 10 0 CDAEHM O=C(N[C@@H]1CCc2[nH]cnc2C1)c1ccccc1[O-] ZINC000336531984 363704021 /nfs/dbraw/zinc/70/40/21/363704021.db2.gz UTBAAQSNQWFAIX-SECBINFHSA-N -1 3 257.293 1.403 10 0 CDAEHM O=C(N[C@@H]1CCc2nc[nH]c2C1)c1ccccc1[O-] ZINC000336531984 363704024 /nfs/dbraw/zinc/70/40/24/363704024.db2.gz UTBAAQSNQWFAIX-SECBINFHSA-N -1 3 257.293 1.403 10 0 CDAEHM CS[C@H](C)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119650451 359938329 /nfs/dbraw/zinc/93/83/29/359938329.db2.gz UYMANYRBPQZWLM-SSDOTTSWSA-N -1 3 265.342 1.500 10 0 CDAEHM CS[C@H](C)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119650451 359938331 /nfs/dbraw/zinc/93/83/31/359938331.db2.gz UYMANYRBPQZWLM-SSDOTTSWSA-N -1 3 265.342 1.500 10 0 CDAEHM CCc1cc(C(=O)N2CCC[C@H](O)[C@@H]2C)ccc1[O-] ZINC000335435363 360176397 /nfs/dbraw/zinc/17/63/97/360176397.db2.gz QPXZMRZOJSIOEU-GWCFXTLKSA-N -1 3 263.337 1.940 10 0 CDAEHM CCN1CCC[C@@H](NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])C1 ZINC000094705526 360311141 /nfs/dbraw/zinc/31/11/41/360311141.db2.gz STVDSGQFBHCMGY-CHWSQXEVSA-N -1 3 299.415 1.517 10 0 CDAEHM C[C@](N)(CC(=O)[O-])c1ccc(Br)cn1 ZINC000238495721 360416205 /nfs/dbraw/zinc/41/62/05/360416205.db2.gz YNYSLLRODUYWQW-VIFPVBQESA-N -1 3 259.103 1.493 10 0 CDAEHM O=C(c1cc(=O)[n-]cn1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000626939359 360661307 /nfs/dbraw/zinc/66/13/07/360661307.db2.gz AKKXVGSRJIFSHU-HNNXBMFYSA-N -1 3 287.294 1.893 10 0 CDAEHM COc1cc(C(=O)N2CC(C)C2)cc(OC)c1[O-] ZINC000338187109 360755155 /nfs/dbraw/zinc/75/51/55/360755155.db2.gz GRVAZKJZQMIZMQ-UHFFFAOYSA-N -1 3 251.282 1.501 10 0 CDAEHM C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(O)cc1[O-] ZINC000131208725 361061812 /nfs/dbraw/zinc/06/18/12/361061812.db2.gz VLPRZPJKKUPBCU-RKDXNWHRSA-N -1 3 251.282 1.347 10 0 CDAEHM C[C@@H]1OCC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000235335952 361070541 /nfs/dbraw/zinc/07/05/41/361070541.db2.gz PYNYVYUEHPJGKJ-WRWORJQWSA-N -1 3 255.701 1.953 10 0 CDAEHM COc1nn(C)cc1NC(=O)c1n[n-]nc1-c1ccccc1 ZINC000338884042 361111234 /nfs/dbraw/zinc/11/12/34/361111234.db2.gz SJMDMUSZQUFZNN-UHFFFAOYSA-N -1 3 298.306 1.466 10 0 CDAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2CCOC[C@@H]2C)c1 ZINC000432294788 361135720 /nfs/dbraw/zinc/13/57/20/361135720.db2.gz TXDPAFFEKGEWOW-QWRGUYRKSA-N -1 3 287.385 1.167 10 0 CDAEHM Cc1c(C(=O)Nc2ncccc2[O-])nnn1C(C)C ZINC000293535494 370676014 /nfs/dbraw/zinc/67/60/14/370676014.db2.gz RPKDPIOIDOYAJZ-UHFFFAOYSA-N -1 3 261.285 1.520 10 0 CDAEHM CCO[N-]C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000097596684 361331299 /nfs/dbraw/zinc/33/12/99/361331299.db2.gz OZLJGFLJDZDLAG-SECBINFHSA-N -1 3 258.318 1.311 10 0 CDAEHM CC(C)(C)[S@](=O)CCNC(=O)c1cccc([O-])c1 ZINC000182432155 189323324 /nfs/dbraw/zinc/32/33/24/189323324.db2.gz XNMSLDBKZQIUGO-GOSISDBHSA-N -1 3 269.366 1.669 10 0 CDAEHM CCc1cnc(S(=O)(=O)Cc2cncc(F)c2)[n-]1 ZINC000357108407 366768338 /nfs/dbraw/zinc/76/83/38/366768338.db2.gz UKHAVDMNCMXODE-UHFFFAOYSA-N -1 3 269.301 1.480 10 0 CDAEHM CCc1c[n-]c(S(=O)(=O)Cc2cncc(F)c2)n1 ZINC000357108407 366768344 /nfs/dbraw/zinc/76/83/44/366768344.db2.gz UKHAVDMNCMXODE-UHFFFAOYSA-N -1 3 269.301 1.480 10 0 CDAEHM O=C(N[C@@H]1CCCC[C@H]1CO)c1ccc(O)cc1[O-] ZINC000182819178 189336315 /nfs/dbraw/zinc/33/63/15/189336315.db2.gz FGTZTPDSJUKMCZ-JOYOIKCWSA-N -1 3 265.309 1.379 10 0 CDAEHM [O-]c1c(-c2nc(Cn3cncn3)no2)ccc2c1CCCC2 ZINC000278171411 366779347 /nfs/dbraw/zinc/77/93/47/366779347.db2.gz SXYMMKBPLOZJHX-UHFFFAOYSA-N -1 3 297.318 1.961 10 0 CDAEHM C/C=C\CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000629039977 361435659 /nfs/dbraw/zinc/43/56/59/361435659.db2.gz UNOKPHKVZBISDI-ZBJFTSOASA-N -1 3 288.394 1.107 10 0 CDAEHM CCn1c(=O)[n-]nc1SCc1nc(C)oc1C ZINC000629100626 361517561 /nfs/dbraw/zinc/51/75/61/361517561.db2.gz PBUHDHCLWMKLTB-UHFFFAOYSA-N -1 3 254.315 1.901 10 0 CDAEHM [O-]c1ccccc1-c1nc(CSc2cn[nH]n2)no1 ZINC000155994944 361696398 /nfs/dbraw/zinc/69/63/98/361696398.db2.gz JUWOPKLVHHSYJA-UHFFFAOYSA-N -1 3 275.293 1.853 10 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CO[C@H](C(=O)Nc1n[n-]c(SC)n1)c1ccc(O)cc1 ZINC000352806958 363935861 /nfs/dbraw/zinc/93/58/61/363935861.db2.gz VIBXEQPRELVVFQ-VIFPVBQESA-N -1 3 294.336 1.558 10 0 CDAEHM Cn1cnc(S(=O)(=O)[N-]CCC2=CCCC2)c1 ZINC000269874906 364366086 /nfs/dbraw/zinc/36/60/86/364366086.db2.gz OYLOMRWHAKJUJK-UHFFFAOYSA-N -1 3 255.343 1.199 10 0 CDAEHM O=C(NCCc1cccc(C(F)(F)F)n1)c1c[n-]nn1 ZINC000293756753 370781759 /nfs/dbraw/zinc/78/17/59/370781759.db2.gz LCMXPWDBBMSQLC-UHFFFAOYSA-N -1 3 285.229 1.191 10 0 CDAEHM O=C(NCCc1cccc(C(F)(F)F)n1)c1cnn[n-]1 ZINC000293756753 370781763 /nfs/dbraw/zinc/78/17/63/370781763.db2.gz LCMXPWDBBMSQLC-UHFFFAOYSA-N -1 3 285.229 1.191 10 0 CDAEHM O=C(NCCc1cccc(C(F)(F)F)n1)c1cn[n-]n1 ZINC000293756753 370781765 /nfs/dbraw/zinc/78/17/65/370781765.db2.gz LCMXPWDBBMSQLC-UHFFFAOYSA-N -1 3 285.229 1.191 10 0 CDAEHM CC[C@@H](NCc1nc(C)ccc1[O-])[C@@H](O)C(F)(F)F ZINC000270772192 364749865 /nfs/dbraw/zinc/74/98/65/364749865.db2.gz AELRXCGDLCCTOK-LDYMZIIASA-N -1 3 278.274 1.887 10 0 CDAEHM CCC(C)(C)OCC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000412296658 240140417 /nfs/dbraw/zinc/14/04/17/240140417.db2.gz FWNOUGXAYIHPBW-NSHDSACASA-N -1 3 281.356 1.827 10 0 CDAEHM COc1nnc(NC(=O)c2cc(C)cc(OC)c2O)[n-]1 ZINC000272495334 365264926 /nfs/dbraw/zinc/26/49/26/365264926.db2.gz NIIWRCLYHGQGLB-UHFFFAOYSA-N -1 3 278.268 1.088 10 0 CDAEHM COc1nc(NC(=O)c2cc(C)cc(OC)c2O)n[n-]1 ZINC000272495334 365264930 /nfs/dbraw/zinc/26/49/30/365264930.db2.gz NIIWRCLYHGQGLB-UHFFFAOYSA-N -1 3 278.268 1.088 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cc(C)cc(OC)c2O)n1 ZINC000272495334 365264934 /nfs/dbraw/zinc/26/49/34/365264934.db2.gz NIIWRCLYHGQGLB-UHFFFAOYSA-N -1 3 278.268 1.088 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N(C)Cc2cc[nH]n2)c1 ZINC000354483572 365504400 /nfs/dbraw/zinc/50/44/00/365504400.db2.gz BTZPBODFHOJZAK-UHFFFAOYSA-N -1 3 259.309 1.950 10 0 CDAEHM CCOCCO[C@@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000357364802 366948695 /nfs/dbraw/zinc/94/86/95/366948695.db2.gz AAXYYXZTQKSTHR-CQSZACIVSA-N -1 3 279.336 1.660 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(C(=O)C(C)C)CC2)n1 ZINC000279516380 367026303 /nfs/dbraw/zinc/02/63/03/367026303.db2.gz PATFISMEIIQFQG-GFCCVEGCSA-N -1 3 292.383 1.352 10 0 CDAEHM Cc1noc([C@@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)n1 ZINC000357614697 367099986 /nfs/dbraw/zinc/09/99/86/367099986.db2.gz JOTAAGATJHEOKO-MRVPVSSYSA-N -1 3 298.302 1.711 10 0 CDAEHM O[C@H]1C[C@@H](CN=c2cc(-c3ccccc3)n3[n-]cnc3n2)C1 ZINC000631390887 376191646 /nfs/dbraw/zinc/19/16/46/376191646.db2.gz DHFYXUYGGPLGBL-BJHJDKERSA-N -1 3 295.346 1.396 10 0 CDAEHM O=C([O-])c1ccc(C(=O)N[C@H]2CNCCC2(F)F)cc1 ZINC000516870744 367201254 /nfs/dbraw/zinc/20/12/54/367201254.db2.gz LYQRXWKNYZLUFN-JTQLQIEISA-N -1 3 284.262 1.112 10 0 CDAEHM Cc1cc(CS(=O)(=O)[N-]C[C@@H](O)CC(C)(C)C)no1 ZINC000218978728 367263329 /nfs/dbraw/zinc/26/33/29/367263329.db2.gz MWSCFCIPWAEZIU-NSHDSACASA-N -1 3 290.385 1.200 10 0 CDAEHM CO[C@@H](C(=O)Nc1ncccc1[O-])C1CCCC1 ZINC000613426597 367356961 /nfs/dbraw/zinc/35/69/61/367356961.db2.gz KKQXQSDFRBFGGE-LLVKDONJSA-N -1 3 250.298 1.931 10 0 CDAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCF)cc1Cl ZINC000280842733 367562893 /nfs/dbraw/zinc/56/28/93/367562893.db2.gz XNHVGMYNQLECHK-UHFFFAOYSA-N -1 3 295.719 1.374 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)Cn2cccn2)o1 ZINC000358460699 367699839 /nfs/dbraw/zinc/69/98/39/367699839.db2.gz GSSFJVJJURALIS-VIFPVBQESA-N -1 3 269.326 1.152 10 0 CDAEHM CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ncccc1[O-] ZINC000123308178 367912497 /nfs/dbraw/zinc/91/24/97/367912497.db2.gz RLIJMTDIJSQMJB-CQSZACIVSA-N -1 3 299.374 1.690 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000529990006 368105029 /nfs/dbraw/zinc/10/50/29/368105029.db2.gz ZVDXHXYHRSMCBY-NMSKTSORSA-N -1 3 274.324 1.500 10 0 CDAEHM Oc1[n-]c(N2CC(c3ccccc3F)C2)nc2nncc1-2 ZINC000360119205 368124759 /nfs/dbraw/zinc/12/47/59/368124759.db2.gz NLRMEYLMSQPQOS-UHFFFAOYSA-N -1 3 285.282 1.801 10 0 CDAEHM CCc1ncc(S(=O)(=O)[N-]Cc2ncccc2O)s1 ZINC000360013218 368076415 /nfs/dbraw/zinc/07/64/15/368076415.db2.gz ZMHSOGZXFYZRRA-UHFFFAOYSA-N -1 3 299.377 1.285 10 0 CDAEHM CCc1ncc(S(=O)(=O)NCc2ncccc2[O-])s1 ZINC000360013218 368076417 /nfs/dbraw/zinc/07/64/17/368076417.db2.gz ZMHSOGZXFYZRRA-UHFFFAOYSA-N -1 3 299.377 1.285 10 0 CDAEHM Cc1nc(C)c(CCC(=O)N[C@@H]2CSC2(C)C)c(=O)[n-]1 ZINC000283701013 368362642 /nfs/dbraw/zinc/36/26/42/368362642.db2.gz XFYZRJUBHDYKPD-LLVKDONJSA-N -1 3 295.408 1.742 10 0 CDAEHM CNC(=O)CC[C@@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000286202007 368725802 /nfs/dbraw/zinc/72/58/02/368725802.db2.gz LJWUBPWYKLJDTM-ZDUSSCGKSA-N -1 3 290.363 1.913 10 0 CDAEHM COc1cc(=NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)[n-]n1C ZINC000547413136 369537227 /nfs/dbraw/zinc/53/72/27/369537227.db2.gz NQXHXXOZUKNZKH-NEPJUHHUSA-N -1 3 289.310 1.732 10 0 CDAEHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1F ZINC000289647335 369604814 /nfs/dbraw/zinc/60/48/14/369604814.db2.gz SVXUECAEECJXKJ-ZJUUUORDSA-N -1 3 275.345 1.836 10 0 CDAEHM COc1cc(=NC(=O)Cc2ccc3c(c2)COC3)[n-]n1C ZINC000547816963 369655744 /nfs/dbraw/zinc/65/57/44/369655744.db2.gz YWAZYKIMXQZTBM-UHFFFAOYSA-N -1 3 287.319 1.062 10 0 CDAEHM COc1cc(=NC(=O)Cc2ccc(Cl)c(F)c2)[n-]n1C ZINC000548393215 369841165 /nfs/dbraw/zinc/84/11/65/369841165.db2.gz PXRKCYWUEZGUQH-UHFFFAOYSA-N -1 3 297.717 1.824 10 0 CDAEHM COc1cccc(C(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000370058933 369946789 /nfs/dbraw/zinc/94/67/89/369946789.db2.gz CQPXVALKAQJYDL-VXGBXAGGSA-N -1 3 291.347 1.899 10 0 CDAEHM CCN(C(=O)c1cc(F)cc2[n-]nnc21)[C@H]1CCOC1 ZINC000572553202 370235021 /nfs/dbraw/zinc/23/50/21/370235021.db2.gz OOAHXCDCJRMEOM-VIFPVBQESA-N -1 3 278.287 1.348 10 0 CDAEHM CCN(C(=O)c1cc(F)cc2nn[n-]c21)[C@H]1CCOC1 ZINC000572553202 370235025 /nfs/dbraw/zinc/23/50/25/370235025.db2.gz OOAHXCDCJRMEOM-VIFPVBQESA-N -1 3 278.287 1.348 10 0 CDAEHM CCN(C(=O)c1cc(F)cc2n[n-]nc21)[C@H]1CCOC1 ZINC000572553202 370235031 /nfs/dbraw/zinc/23/50/31/370235031.db2.gz OOAHXCDCJRMEOM-VIFPVBQESA-N -1 3 278.287 1.348 10 0 CDAEHM Cc1c(CC(=O)[N-]OCc2ccc(F)cc2)cnn1C ZINC000293207393 370551890 /nfs/dbraw/zinc/55/18/90/370551890.db2.gz PFVFKRKFHFDZIG-UHFFFAOYSA-N -1 3 277.299 1.658 10 0 CDAEHM CC[C@@H](C)[C@@H](OC)C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000377087503 371428121 /nfs/dbraw/zinc/42/81/21/371428121.db2.gz YXRDAGWQJGEUNX-QMTHXVAHSA-N -1 3 288.351 1.893 10 0 CDAEHM COc1cc(=NC(=O)C(C)(C)C(C)(F)F)[n-]n1C ZINC000573176432 371450098 /nfs/dbraw/zinc/45/00/98/371450098.db2.gz BBSWBCILLTWWON-UHFFFAOYSA-N -1 3 261.272 1.471 10 0 CDAEHM CCO[C@H]1C[C@@H]1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000177554180 372106447 /nfs/dbraw/zinc/10/64/47/372106447.db2.gz IOEAZEFWJJFHSU-RYUDHWBXSA-N -1 3 287.323 1.154 10 0 CDAEHM CCO[C@H]1C[C@@H]1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000177554180 372106453 /nfs/dbraw/zinc/10/64/53/372106453.db2.gz IOEAZEFWJJFHSU-RYUDHWBXSA-N -1 3 287.323 1.154 10 0 CDAEHM COC(=O)c1ccc([O-])c(OC(F)(F)F)c1N ZINC000575638342 372285785 /nfs/dbraw/zinc/28/57/85/372285785.db2.gz AUOCLJMKVWPHIN-UHFFFAOYSA-N -1 3 251.160 1.660 10 0 CDAEHM Cn1ccc(S(=O)(=O)[N-]C23CCC(CC2)CC3)n1 ZINC000578429260 372460833 /nfs/dbraw/zinc/46/08/33/372460833.db2.gz PLYXVBJYFXHMOI-UHFFFAOYSA-N -1 3 269.370 1.421 10 0 CDAEHM CC1(CNC(=O)c2cc([O-])ccc2Cl)COC1 ZINC000232799539 373318090 /nfs/dbraw/zinc/31/80/90/373318090.db2.gz NLQLFIVCWYDFAN-UHFFFAOYSA-N -1 3 255.701 1.812 10 0 CDAEHM COc1cc(=NC(=O)N2CCCCC[C@H]2C)[n-]n1C ZINC000581919426 373331676 /nfs/dbraw/zinc/33/16/76/373331676.db2.gz ZMWZJHSGACAWMV-SNVBAGLBSA-N -1 3 266.345 1.647 10 0 CDAEHM Nc1cc(I)cc([O-])c1F ZINC000575725874 374124909 /nfs/dbraw/zinc/12/49/09/374124909.db2.gz HYNVJMZLDOUEOD-UHFFFAOYSA-N -1 3 253.014 1.718 10 0 CDAEHM CCc1nc2n(n1)C[C@H](NC(=O)c1ccccc1[O-])CC2 ZINC000114890306 374526950 /nfs/dbraw/zinc/52/69/50/374526950.db2.gz KGOFCCBEZGFWAF-SNVBAGLBSA-N -1 3 286.335 1.291 10 0 CDAEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cncs1 ZINC000342900438 374713790 /nfs/dbraw/zinc/71/37/90/374713790.db2.gz BKEDVLIPCLHIHX-UHFFFAOYSA-N -1 3 286.320 1.499 10 0 CDAEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cncs1 ZINC000342900438 374713793 /nfs/dbraw/zinc/71/37/93/374713793.db2.gz BKEDVLIPCLHIHX-UHFFFAOYSA-N -1 3 286.320 1.499 10 0 CDAEHM Cn1nccc1[C@H]1CCCCN1C(=O)c1csc(=O)[n-]1 ZINC000334311532 374877112 /nfs/dbraw/zinc/87/71/12/374877112.db2.gz LNLKMHIGHREOEN-LLVKDONJSA-N -1 3 292.364 1.950 10 0 CDAEHM CCC(CC)NC(=O)[C@H](C)N(C)CCCC(=O)[O-] ZINC000042717606 374862392 /nfs/dbraw/zinc/86/23/92/374862392.db2.gz VDMGQVJSTQUNME-JTQLQIEISA-N -1 3 258.362 1.476 10 0 CDAEHM COc1nnc(NC(=O)c2ccccc2SC)[n-]1 ZINC000129365817 375191708 /nfs/dbraw/zinc/19/17/08/375191708.db2.gz MKTSSSAZDVRYGN-UHFFFAOYSA-N -1 3 264.310 1.788 10 0 CDAEHM COc1nc(NC(=O)c2ccccc2SC)n[n-]1 ZINC000129365817 375191712 /nfs/dbraw/zinc/19/17/12/375191712.db2.gz MKTSSSAZDVRYGN-UHFFFAOYSA-N -1 3 264.310 1.788 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccccc2SC)n1 ZINC000129365817 375191715 /nfs/dbraw/zinc/19/17/15/375191715.db2.gz MKTSSSAZDVRYGN-UHFFFAOYSA-N -1 3 264.310 1.788 10 0 CDAEHM CN(C)CC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000130932294 375354223 /nfs/dbraw/zinc/35/42/23/375354223.db2.gz LNUSVPZDSIDNKZ-UHFFFAOYSA-N -1 3 280.752 1.319 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCC[C@]1(C)CO ZINC000305114570 375553457 /nfs/dbraw/zinc/55/34/57/375553457.db2.gz JOZYQROQXMKPQF-ZYHUDNBSSA-N -1 3 288.369 1.121 10 0 CDAEHM Cn1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000427071032 247091734 /nfs/dbraw/zinc/09/17/34/247091734.db2.gz ZVVRBUGPSCCCPB-UHFFFAOYSA-N -1 3 282.307 1.381 10 0 CDAEHM Cn1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000427071032 247091739 /nfs/dbraw/zinc/09/17/39/247091739.db2.gz ZVVRBUGPSCCCPB-UHFFFAOYSA-N -1 3 282.307 1.381 10 0 CDAEHM CSCCCCNC(=O)CNC(=O)c1cccc([O-])c1 ZINC000427451894 247142482 /nfs/dbraw/zinc/14/24/82/247142482.db2.gz HAJSUGZVGYKWSS-UHFFFAOYSA-N -1 3 296.392 1.381 10 0 CDAEHM CCCC(=O)N1CCC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000330992947 376428001 /nfs/dbraw/zinc/42/80/01/376428001.db2.gz BIQJCSLQMQJKTN-LBPRGKRZSA-N -1 3 291.351 1.195 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CC2(SC)CC2)c1 ZINC000433356929 248027080 /nfs/dbraw/zinc/02/70/80/248027080.db2.gz VSHLXMAGPKWNFX-UHFFFAOYSA-N -1 3 275.399 1.077 10 0 CDAEHM C[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(Cl)cc1 ZINC000264673672 190127298 /nfs/dbraw/zinc/12/72/98/190127298.db2.gz JWXFVOVLRLXYHS-QMMMGPOBSA-N -1 3 295.726 1.069 10 0 CDAEHM Cc1cccc(C(=O)N(C)C[C@H]2CCS(=O)(=O)C2)c1[O-] ZINC000331248056 376800597 /nfs/dbraw/zinc/80/05/97/376800597.db2.gz WNIFARWJQUMMBE-LLVKDONJSA-N -1 3 297.376 1.207 10 0 CDAEHM CCc1cc(C[N-]S(=O)(=O)CC2(OC)CCC2)on1 ZINC000632022407 376921128 /nfs/dbraw/zinc/92/11/28/376921128.db2.gz JALHYECPODLAAI-UHFFFAOYSA-N -1 3 288.369 1.226 10 0 CDAEHM O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(O)cc1[O-] ZINC000247293352 377085136 /nfs/dbraw/zinc/08/51/36/377085136.db2.gz HNFTWSIIHDBRPT-SUHUHFCYSA-N -1 3 277.320 1.785 10 0 CDAEHM Cn1cnnc1S(=O)(=O)[N-]Cc1ccc(C2CC2)cc1 ZINC000632270234 377218606 /nfs/dbraw/zinc/21/86/06/377218606.db2.gz FADYTZUHABKKBX-UHFFFAOYSA-N -1 3 292.364 1.171 10 0 CDAEHM O=c1[nH]cc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)s1 ZINC000632410274 377409988 /nfs/dbraw/zinc/40/99/88/377409988.db2.gz AXZDHQZPMUNVBI-ZCFIWIBFSA-N -1 3 298.336 1.562 10 0 CDAEHM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cccc([O-])c1 ZINC000249261900 377418304 /nfs/dbraw/zinc/41/83/04/377418304.db2.gz IAQDQCHBCRGORS-UBHSHLNASA-N -1 3 289.331 1.806 10 0 CDAEHM COc1cc(=NC(=O)[C@@H]2Cc3ccc(Cl)cc32)[n-]n1C ZINC000632541181 377580930 /nfs/dbraw/zinc/58/09/30/377580930.db2.gz KTMDZJKDOHNUGO-LLVKDONJSA-N -1 3 291.738 1.782 10 0 CDAEHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000632627362 377686666 /nfs/dbraw/zinc/68/66/66/377686666.db2.gz GGCKAUKPEYAVKJ-GMSGAONNSA-N -1 3 298.339 1.397 10 0 CDAEHM Cc1ccc(C(=O)N2CCNC[C@@H]2c2cccnc2)c([O-])c1 ZINC000572130542 377706163 /nfs/dbraw/zinc/70/61/63/377706163.db2.gz ZVPSHTCLOJRXRK-OAHLLOKOSA-N -1 3 297.358 1.882 10 0 CDAEHM C[C@H](CC1CCC1)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000632693622 377754885 /nfs/dbraw/zinc/75/48/85/377754885.db2.gz JTHDHDZLSHUJAQ-SECBINFHSA-N -1 3 257.359 1.277 10 0 CDAEHM CNC(=O)c1cccc(CCC(=O)Nc2ccncc2[O-])c1 ZINC000162207797 377895231 /nfs/dbraw/zinc/89/52/31/377895231.db2.gz QHUMQIZTIYDOFL-UHFFFAOYSA-N -1 3 299.330 1.718 10 0 CDAEHM C[C@@H](C(=O)NCc1cc(=O)[n-]c(=O)[nH]1)C1CCCC1 ZINC000633520907 378511164 /nfs/dbraw/zinc/51/11/64/378511164.db2.gz LMJKSHNJSRPUPF-MRVPVSSYSA-N -1 3 265.313 1.330 10 0 CDAEHM O=C(Cc1ccc2c(c1)CCC2)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633521500 378513421 /nfs/dbraw/zinc/51/34/21/378513421.db2.gz LSVODJYYXANWHX-UHFFFAOYSA-N -1 3 299.330 1.235 10 0 CDAEHM COCc1nnc(Sc2ccnc(C3CC3)n2)[n-]1 ZINC000268485408 190405857 /nfs/dbraw/zinc/40/58/57/190405857.db2.gz MNGKHYRDVOMWNK-UHFFFAOYSA-N -1 3 263.326 1.770 10 0 CDAEHM COCc1nc(Sc2ccnc(C3CC3)n2)n[n-]1 ZINC000268485408 190405858 /nfs/dbraw/zinc/40/58/58/190405858.db2.gz MNGKHYRDVOMWNK-UHFFFAOYSA-N -1 3 263.326 1.770 10 0 CDAEHM C[C@H](CN(C)[C@@H]1CCN(CC(=O)[O-])C1=O)c1ccccc1 ZINC000662203451 412932701 /nfs/dbraw/zinc/93/27/01/412932701.db2.gz DUGPJDQHVBRVJT-TZMCWYRMSA-N -1 3 290.363 1.407 10 0 CDAEHM COc1cccnc1CNCc1nc(C)ccc1[O-] ZINC000449751460 251001943 /nfs/dbraw/zinc/00/19/43/251001943.db2.gz YSVAVZUXNFMDLG-UHFFFAOYSA-N -1 3 259.309 1.789 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2c2nc(C3CC3)ns2)nc1=N ZINC000663962835 412983503 /nfs/dbraw/zinc/98/35/03/412983503.db2.gz QNBQJPWEKIEXLF-QMMMGPOBSA-N -1 3 291.384 1.298 10 0 CDAEHM COc1cccc(CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289417409 197337083 /nfs/dbraw/zinc/33/70/83/197337083.db2.gz MJCWYKLQTXPHET-LBPRGKRZSA-N -1 3 288.351 1.486 10 0 CDAEHM CC(C)([N-]S(C)(=O)=O)c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000656048509 413008318 /nfs/dbraw/zinc/00/83/18/413008318.db2.gz ZIFKBDNJHZSWGW-BBBLOLIVSA-N -1 3 299.396 1.758 10 0 CDAEHM CC(C)n1cnc([N-]C(=O)c2cnn3c2OCCC3)n1 ZINC000652726447 413033660 /nfs/dbraw/zinc/03/36/60/413033660.db2.gz ZDSDPFKBFLFCET-UHFFFAOYSA-N -1 3 276.300 1.090 10 0 CDAEHM CC(C)C[C@@H](CNC(=O)[C@@H](N)CC(C)C)CC(=O)[O-] ZINC000088273189 256862480 /nfs/dbraw/zinc/86/24/80/256862480.db2.gz IRPWSULRVJZDIJ-NEPJUHHUSA-N -1 3 272.389 1.613 10 0 CDAEHM CN(CCCO)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000281506112 195269934 /nfs/dbraw/zinc/26/99/34/195269934.db2.gz BBYCBCKICNKMQQ-UHFFFAOYSA-N -1 3 263.293 1.313 10 0 CDAEHM CN(CCCO)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000281728449 195354352 /nfs/dbraw/zinc/35/43/52/195354352.db2.gz HMSNVZAOSCJHPO-UHFFFAOYSA-N -1 3 277.242 1.865 10 0 CDAEHM CN1C[C@H]2CCN(C(=O)c3c([O-])cc(F)cc3F)[C@@H]2C1 ZINC000646920448 390290568 /nfs/dbraw/zinc/29/05/68/390290568.db2.gz RNKCRUUHCANVKJ-LDYMZIIASA-N -1 3 282.290 1.447 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CO[C@H](C3CC3)C2)o1 ZINC000625578099 390676968 /nfs/dbraw/zinc/67/69/68/390676968.db2.gz GLGWUXWDHYBGSN-MNOVXSKESA-N -1 3 271.338 1.434 10 0 CDAEHM Cc1ccc([O-])c([C@@H]2NC(=O)CN2Cc2ccccc2)n1 ZINC000112370069 390686709 /nfs/dbraw/zinc/68/67/09/390686709.db2.gz VYPAQVHPAHQPAV-MRXNPFEDSA-N -1 3 283.331 1.726 10 0 CDAEHM CCCc1cc(=NC(=O)c2csc(=O)[n-]2)[nH][nH]1 ZINC000527161539 390991607 /nfs/dbraw/zinc/99/16/07/390991607.db2.gz KXNDMMLUCBVYOG-UHFFFAOYSA-N -1 3 252.299 1.199 10 0 CDAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(Cl)cn1 ZINC000527209660 391003456 /nfs/dbraw/zinc/00/34/56/391003456.db2.gz XVLOVLWNKMMXJB-NSHDSACASA-N -1 3 292.726 1.984 10 0 CDAEHM COc1cc(C(=O)NCC2(N(C)C)CC2)cc(Cl)c1[O-] ZINC000416298690 391261496 /nfs/dbraw/zinc/26/14/96/391261496.db2.gz DRGZAAHNWHKUTI-UHFFFAOYSA-N -1 3 298.770 1.878 10 0 CDAEHM Cc1ccc(C(=O)N2C[C@@H](C)N(CCO)C[C@H]2C)c([O-])c1 ZINC000416321370 391275523 /nfs/dbraw/zinc/27/55/23/391275523.db2.gz ZZRLDAYUCSRYNH-CHWSQXEVSA-N -1 3 292.379 1.228 10 0 CDAEHM CCn1cnnc1[N-]C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000286026034 391561316 /nfs/dbraw/zinc/56/13/16/391561316.db2.gz ZVZSPMARBWIPSW-NSHDSACASA-N -1 3 292.726 1.894 10 0 CDAEHM CCCc1cc(=NC(=O)c2ccc(C(C)=O)c([O-])c2)[nH][nH]1 ZINC000412093982 391601197 /nfs/dbraw/zinc/60/11/97/391601197.db2.gz KBIXTGPLZKXHHI-UHFFFAOYSA-N -1 3 287.319 1.945 10 0 CDAEHM CO[C@](C)(C[N-]S(=O)(=O)c1ccc(C)o1)C1CC1 ZINC000360244533 391649131 /nfs/dbraw/zinc/64/91/31/391649131.db2.gz CGEJZPCEIGFHLJ-GFCCVEGCSA-N -1 3 273.354 1.681 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-]CCC(F)(F)F ZINC000451279355 391652318 /nfs/dbraw/zinc/65/23/18/391652318.db2.gz DRNGPNPZIOLECI-UHFFFAOYSA-N -1 3 298.286 1.711 10 0 CDAEHM Cc1cccc(CN[C@@]2(C(=O)[O-])CCOC2)c1F ZINC000417561535 391660200 /nfs/dbraw/zinc/66/02/00/391660200.db2.gz DNBVCXHGTRCGGN-ZDUSSCGKSA-N -1 3 253.273 1.467 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H]1CCC[C@@H](F)C1 ZINC000424722672 391741030 /nfs/dbraw/zinc/74/10/30/391741030.db2.gz YFPUGCIJHDELDD-JGVFFNPUSA-N -1 3 269.276 1.663 10 0 CDAEHM CCC[C@@H]1CCCC[C@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000520397364 391793524 /nfs/dbraw/zinc/79/35/24/391793524.db2.gz BPSZEKJOSMMNEG-GHMZBOCLSA-N -1 3 281.356 1.013 10 0 CDAEHM C[C@@H]1CCC[C@H](NC(=O)c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000407985105 391797122 /nfs/dbraw/zinc/79/71/22/391797122.db2.gz FFVZLVDYLAQJAE-ZJUUUORDSA-N -1 3 278.356 1.557 10 0 CDAEHM Cn1cnc(S(=O)(=O)[N-][C@H]2C[C@@H](OC(C)(C)C)C2)c1 ZINC000645841589 392252218 /nfs/dbraw/zinc/25/22/18/392252218.db2.gz XSIGKHHLGYDRDG-AOOOYVTPSA-N -1 3 287.385 1.045 10 0 CDAEHM COc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)ccc1[O-] ZINC000442681409 392286435 /nfs/dbraw/zinc/28/64/35/392286435.db2.gz RIAPMNFRELDRQI-PHIMTYICSA-N -1 3 263.293 1.404 10 0 CDAEHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccco1)C1(CO)CC=CC1 ZINC000645849673 392371752 /nfs/dbraw/zinc/37/17/52/392371752.db2.gz UJFHLVOJTSEVMJ-CYBMUJFWSA-N -1 3 299.392 1.911 10 0 CDAEHM CCc1cc(C(=O)N[C@@H](CO)c2ccnn2C)ccc1[O-] ZINC000458148903 392385731 /nfs/dbraw/zinc/38/57/31/392385731.db2.gz GLZBYXPEKMHTIH-LBPRGKRZSA-N -1 3 289.335 1.152 10 0 CDAEHM CO[C@@H](CCNC(=O)Cc1cncc([O-])c1)C(F)(F)F ZINC000568232265 392425422 /nfs/dbraw/zinc/42/54/22/392425422.db2.gz JSOYEJVMSBQOBD-JTQLQIEISA-N -1 3 292.257 1.413 10 0 CDAEHM CC(C)[C@H](CO)O[N-]C(=O)[C@@H]1C[C@]1(C)Br ZINC000529455711 392430102 /nfs/dbraw/zinc/43/01/02/392430102.db2.gz LQNQLEUYDQKYJZ-NRPADANISA-N -1 3 280.162 1.225 10 0 CDAEHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2CC[C@H]3C[C@H]3C2)c[nH]1 ZINC000645873390 392440385 /nfs/dbraw/zinc/44/03/85/392440385.db2.gz BYWLYYBMQMXXRW-GARJFASQSA-N -1 3 283.397 2.000 10 0 CDAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCF ZINC000437697263 392481684 /nfs/dbraw/zinc/48/16/84/392481684.db2.gz TXHMEYUTJLCMID-UHFFFAOYSA-N -1 3 278.287 1.251 10 0 CDAEHM CC[C@H](CC(F)(F)F)C(=O)Nc1n[n-]c(OC)n1 ZINC000402483452 392579800 /nfs/dbraw/zinc/57/98/00/392579800.db2.gz APESDRQNLVWFJI-RXMQYKEDSA-N -1 3 266.223 1.730 10 0 CDAEHM CC[C@H](CC(F)(F)F)C(=O)Nc1nnc(OC)[n-]1 ZINC000402483452 392579802 /nfs/dbraw/zinc/57/98/02/392579802.db2.gz APESDRQNLVWFJI-RXMQYKEDSA-N -1 3 266.223 1.730 10 0 CDAEHM CC[C@H](CC(F)(F)F)C(=O)Nc1nc(OC)n[n-]1 ZINC000402483452 392579805 /nfs/dbraw/zinc/57/98/05/392579805.db2.gz APESDRQNLVWFJI-RXMQYKEDSA-N -1 3 266.223 1.730 10 0 CDAEHM CCCn1c(=O)[n-]nc1SC[C@H]1CCNC(=O)CC1 ZINC000574398340 392585881 /nfs/dbraw/zinc/58/58/81/392585881.db2.gz LLKUVEMFWGPPCP-SECBINFHSA-N -1 3 284.385 1.402 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N(C)Cc2cnccn2)c1 ZINC000172234369 392625045 /nfs/dbraw/zinc/62/50/45/392625045.db2.gz RCOAXGPBZDVRGB-UHFFFAOYSA-N -1 3 257.293 1.763 10 0 CDAEHM Cc1ccc([O-])c(CN(CC(F)F)C[C@H](C)O)n1 ZINC000449627015 392824877 /nfs/dbraw/zinc/82/48/77/392824877.db2.gz FLZZASPFOODTQW-VIFPVBQESA-N -1 3 260.284 1.544 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cc2n(n1)CCC2 ZINC000649229224 393121317 /nfs/dbraw/zinc/12/13/17/393121317.db2.gz SBFJTPPZDYSYSE-UHFFFAOYSA-N -1 3 273.340 1.658 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CCOC[C@H]1C ZINC000649229511 393122602 /nfs/dbraw/zinc/12/26/02/393122602.db2.gz BIZHOZWELNHNFX-MWLCHTKSSA-N -1 3 265.357 1.875 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccnc(N(C)C)c1 ZINC000649231686 393126366 /nfs/dbraw/zinc/12/63/66/393126366.db2.gz CAISWFVOXCVILB-UHFFFAOYSA-N -1 3 287.367 1.977 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-]C[C@H](O)C(C)C)c1 ZINC000451227471 393162854 /nfs/dbraw/zinc/16/28/54/393162854.db2.gz DWWBPDLWCWQWFW-VIFPVBQESA-N -1 3 263.384 1.352 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCOC2)o1 ZINC000452017412 393426428 /nfs/dbraw/zinc/42/64/28/393426428.db2.gz NHUSIQVHNOYUQY-LLVKDONJSA-N -1 3 273.354 1.683 10 0 CDAEHM [O-]c1cc(F)cc(CNC[C@@H]2CN(C3CC3)CCO2)c1 ZINC000185523941 140042359 /nfs/dbraw/zinc/04/23/59/140042359.db2.gz JMAQFXFOIXEGQT-OAHLLOKOSA-N -1 3 280.343 1.484 10 0 CDAEHM [O-]c1cc(CN2C[C@H](O)[C@@H](CO)C2)cc(C(F)(F)F)c1 ZINC000459717994 397711908 /nfs/dbraw/zinc/71/19/08/397711908.db2.gz XGKQYDIJLGYSIV-SKDRFNHKSA-N -1 3 291.269 1.196 10 0 CDAEHM O=c1cc(CN2CCC(C3(O)CC3)CC2)nc(C2CC2)[n-]1 ZINC000649670576 397893980 /nfs/dbraw/zinc/89/39/80/397893980.db2.gz RBIWOHLEBBKTHI-UHFFFAOYSA-N -1 3 289.379 1.797 10 0 CDAEHM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000625665373 397973155 /nfs/dbraw/zinc/97/31/55/397973155.db2.gz SDXFXSDCJNDJML-AOOOYVTPSA-N -1 3 273.329 1.529 10 0 CDAEHM C[C@@H]1C[C@@H](S(=O)(=O)[N-]C(C)(C)C(F)F)CCO1 ZINC000649967983 398064288 /nfs/dbraw/zinc/06/42/88/398064288.db2.gz CPYZHQBQODMGLW-SFYZADRCSA-N -1 3 271.329 1.517 10 0 CDAEHM COc1nnc(NC(=O)Cc2cc(F)ccc2F)[n-]1 ZINC000179371452 148109838 /nfs/dbraw/zinc/10/98/38/148109838.db2.gz GGFMPABUFCBHOE-UHFFFAOYSA-N -1 3 268.223 1.273 10 0 CDAEHM COc1nc(NC(=O)Cc2cc(F)ccc2F)n[n-]1 ZINC000179371452 148109841 /nfs/dbraw/zinc/10/98/41/148109841.db2.gz GGFMPABUFCBHOE-UHFFFAOYSA-N -1 3 268.223 1.273 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2cc(F)ccc2F)n1 ZINC000179371452 148109844 /nfs/dbraw/zinc/10/98/44/148109844.db2.gz GGFMPABUFCBHOE-UHFFFAOYSA-N -1 3 268.223 1.273 10 0 CDAEHM COc1nnc(NC(=O)c2cnc(C(C)(C)C)s2)[n-]1 ZINC000179367488 148110271 /nfs/dbraw/zinc/11/02/71/148110271.db2.gz LVRVBCPSBMNZOP-UHFFFAOYSA-N -1 3 281.341 1.820 10 0 CDAEHM COc1nc(NC(=O)c2cnc(C(C)(C)C)s2)n[n-]1 ZINC000179367488 148110276 /nfs/dbraw/zinc/11/02/76/148110276.db2.gz LVRVBCPSBMNZOP-UHFFFAOYSA-N -1 3 281.341 1.820 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cnc(C(C)(C)C)s2)n1 ZINC000179367488 148110280 /nfs/dbraw/zinc/11/02/80/148110280.db2.gz LVRVBCPSBMNZOP-UHFFFAOYSA-N -1 3 281.341 1.820 10 0 CDAEHM COc1nnc(NC(=O)c2sccc2SC)[n-]1 ZINC000179369609 148110509 /nfs/dbraw/zinc/11/05/09/148110509.db2.gz BSUFNARONSLFMA-UHFFFAOYSA-N -1 3 270.339 1.849 10 0 CDAEHM COc1nc(NC(=O)c2sccc2SC)n[n-]1 ZINC000179369609 148110512 /nfs/dbraw/zinc/11/05/12/148110512.db2.gz BSUFNARONSLFMA-UHFFFAOYSA-N -1 3 270.339 1.849 10 0 CDAEHM COc1n[n-]c(NC(=O)c2sccc2SC)n1 ZINC000179369609 148110515 /nfs/dbraw/zinc/11/05/15/148110515.db2.gz BSUFNARONSLFMA-UHFFFAOYSA-N -1 3 270.339 1.849 10 0 CDAEHM O=C(NC[C@@H](O)Cc1ccccc1)c1cccc([O-])c1 ZINC000305807060 149166889 /nfs/dbraw/zinc/16/68/89/149166889.db2.gz GXUAFHGLTAJSJK-HNNXBMFYSA-N -1 3 271.316 1.726 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1ccc(N2CCCC2)nn1 ZINC000352502306 155232441 /nfs/dbraw/zinc/23/24/41/155232441.db2.gz SMNURHLUYIOGOD-UHFFFAOYSA-N -1 3 299.334 1.107 10 0 CDAEHM Cc1ccc(OCC(=O)NCc2ncccc2[O-])cc1 ZINC000352502822 155232490 /nfs/dbraw/zinc/23/24/90/155232490.db2.gz YVUYINNOZXYXGC-UHFFFAOYSA-N -1 3 272.304 1.791 10 0 CDAEHM O=C(N[C@@H]1CC[S@@](=O)C1)c1cc([O-])c2ccccc2c1 ZINC000336016681 151199511 /nfs/dbraw/zinc/19/95/11/151199511.db2.gz IJNKXHZXVYKCPX-MPBGBICISA-N -1 3 289.356 1.796 10 0 CDAEHM CCc1ccc(C(=O)N2CC(=O)N(C)[C@H](C)C2)c([O-])c1 ZINC000336025585 151206538 /nfs/dbraw/zinc/20/65/38/151206538.db2.gz NHLLGZDRYDZESW-SNVBAGLBSA-N -1 3 276.336 1.257 10 0 CDAEHM O=C([C@H](O)C1CCC1)N1CCCc2cccc([O-])c21 ZINC000336192470 151348616 /nfs/dbraw/zinc/34/86/16/151348616.db2.gz LWLKGGGNRODCED-CQSZACIVSA-N -1 3 261.321 1.832 10 0 CDAEHM O=C(NCc1ccc(=O)[nH]c1)c1cc(=O)c2ccccc2[n-]1 ZINC000346320183 153139119 /nfs/dbraw/zinc/13/91/19/153139119.db2.gz FLVSXOTWRNEEID-UHFFFAOYSA-N -1 3 295.298 1.559 10 0 CDAEHM COC(=O)c1cncc([N-]C(=O)c2cc(OC)no2)c1 ZINC000346768816 153298101 /nfs/dbraw/zinc/29/81/01/153298101.db2.gz SRYCNVOETJIWDP-UHFFFAOYSA-N -1 3 277.236 1.117 10 0 CDAEHM Cc1cnc(C(=O)N(C)[C@@H]2CCCN(C)C2)c([O-])c1 ZINC000348903284 154004463 /nfs/dbraw/zinc/00/44/63/154004463.db2.gz XVBHPHPXLXNJKL-LLVKDONJSA-N -1 3 263.341 1.262 10 0 CDAEHM O=C(NCc1ccncc1)NCc1ncccc1[O-] ZINC000349101187 154051419 /nfs/dbraw/zinc/05/14/19/154051419.db2.gz DFSMZQKWCQDLBI-UHFFFAOYSA-N -1 3 258.281 1.182 10 0 CDAEHM COc1ccc(CNC(=O)NCc2ncccc2[O-])cn1 ZINC000349181183 154064110 /nfs/dbraw/zinc/06/41/10/154064110.db2.gz PGTZANOGNZSFNI-UHFFFAOYSA-N -1 3 288.307 1.190 10 0 CDAEHM CC(C)(C)CCc1noc(C(C)(C)[N-]S(C)(=O)=O)n1 ZINC000349772667 154211413 /nfs/dbraw/zinc/21/14/13/154211413.db2.gz SPFKDYJGMGLFSF-UHFFFAOYSA-N -1 3 289.401 1.833 10 0 CDAEHM O=S(=O)(Cc1ccon1)[N-]CC1(C(F)(F)F)CC1 ZINC000352334075 155102728 /nfs/dbraw/zinc/10/27/28/155102728.db2.gz XTSPOFQVNGODKT-UHFFFAOYSA-N -1 3 284.259 1.437 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CC[C@]3(C2)CCCOC3)n1 ZINC000375290850 160362114 /nfs/dbraw/zinc/36/21/14/160362114.db2.gz DENLAZPLBPFAPE-HNNXBMFYSA-N -1 3 277.368 1.747 10 0 CDAEHM Cc1ccc([O-])c(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)n1 ZINC000375495150 160385876 /nfs/dbraw/zinc/38/58/76/160385876.db2.gz MTRLJNCVEXUIBO-WDMOLILDSA-N -1 3 275.352 1.181 10 0 CDAEHM CO[C@]1(C(=O)Nc2ccc([O-])cc2F)CCOC1 ZINC000356219667 157403136 /nfs/dbraw/zinc/40/31/36/157403136.db2.gz MPPFSAXZDSLBHC-GFCCVEGCSA-N -1 3 255.245 1.275 10 0 CDAEHM O=C(/C=C/c1ccco1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000009028829 170361809 /nfs/dbraw/zinc/36/18/09/170361809.db2.gz QXXXAOHZRXCRNZ-GQCTYLIASA-N -1 3 282.255 1.815 10 0 CDAEHM Cc1cc(N)cc(S(=O)(=O)[N-]CC(F)(F)F)c1C ZINC000021801876 171326061 /nfs/dbraw/zinc/32/60/61/171326061.db2.gz CENARVXYFNQYOG-UHFFFAOYSA-N -1 3 282.287 1.726 10 0 CDAEHM COc1cccc([N-]S(=O)(=O)c2ccccc2CN)c1 ZINC000022175043 171370001 /nfs/dbraw/zinc/37/00/01/171370001.db2.gz DGGTZWRNICZVCB-UHFFFAOYSA-N -1 3 292.360 1.955 10 0 CDAEHM CC[C@@H]1CO[C@H](C)CN1S(=O)(=O)c1ccc([O-])cc1 ZINC000048916735 287257467 /nfs/dbraw/zinc/25/74/67/287257467.db2.gz XUDILVWEQJTBFX-GHMZBOCLSA-N -1 3 285.365 1.580 10 0 CDAEHM C[C@H](NC(=O)CNCCC(=O)[O-])c1ccc(F)cc1 ZINC000035386003 172168041 /nfs/dbraw/zinc/16/80/41/172168041.db2.gz CHIUUGLNWSNHJG-VIFPVBQESA-N -1 3 268.288 1.067 10 0 CDAEHM Cc1cc(C)c(NC(=O)CNCCC(=O)[O-])c(Cl)c1 ZINC000035386270 172168282 /nfs/dbraw/zinc/16/82/82/172168282.db2.gz GCWVTSFJLDRXIZ-UHFFFAOYSA-N -1 3 284.743 1.960 10 0 CDAEHM CCc1ccc(NC(=O)CNCCC(=O)[O-])cc1 ZINC000035386594 172168827 /nfs/dbraw/zinc/16/88/27/172168827.db2.gz GYTQQHKIPVUODB-UHFFFAOYSA-N -1 3 250.298 1.252 10 0 CDAEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000657105424 413935028 /nfs/dbraw/zinc/93/50/28/413935028.db2.gz ARVGXHREDGFTEW-XYPYZODXSA-N -1 3 291.319 1.811 10 0 CDAEHM C[C@H](CN1CCC(C)CC1)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000663132406 413978032 /nfs/dbraw/zinc/97/80/32/413978032.db2.gz JBRXYYGNMTWTEC-MCIONIFRSA-N -1 3 296.411 1.724 10 0 CDAEHM C[C@@H](CN1CCC(C)CC1)NC(=O)C(C)(C)C(=O)[O-] ZINC000663133102 413978176 /nfs/dbraw/zinc/97/81/76/413978176.db2.gz MCNMSXAJJULHBD-NSHDSACASA-N -1 3 270.373 1.334 10 0 CDAEHM CN[C@H](C(=O)[O-])c1ccc(OC)c(OC)c1OC ZINC000037181075 173013643 /nfs/dbraw/zinc/01/36/43/173013643.db2.gz NFQNIGGDOKELEH-VIFPVBQESA-N -1 3 255.270 1.058 10 0 CDAEHM COc1ccc(OC)c([C@H](NC(C)C)C(=O)[O-])c1 ZINC000037183260 173015671 /nfs/dbraw/zinc/01/56/71/173015671.db2.gz KZRKXDLOHAIMON-LBPRGKRZSA-N -1 3 253.298 1.828 10 0 CDAEHM Cn1cc(S(=O)(=O)[N-]C2CCCCCC2)c(N)n1 ZINC000037558777 173269983 /nfs/dbraw/zinc/26/99/83/173269983.db2.gz LLXXYWOWHBISDN-UHFFFAOYSA-N -1 3 272.374 1.003 10 0 CDAEHM O=C([O-])c1ccc(CN2CC[C@@H]3COC[C@H]3C2)cc1F ZINC000659801177 414130648 /nfs/dbraw/zinc/13/06/48/414130648.db2.gz FGHQRBICYCNWHD-VXGBXAGGSA-N -1 3 279.311 1.992 10 0 CDAEHM C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)N(C)C ZINC000655879465 414295565 /nfs/dbraw/zinc/29/55/65/414295565.db2.gz NFOWCJCFNYHOJW-FIQHERPVSA-N -1 3 299.415 1.371 10 0 CDAEHM Cc1cc(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)nc(C)n1 ZINC000662212892 414564906 /nfs/dbraw/zinc/56/49/06/414564906.db2.gz RESUSRDLVAXHTI-NOZJJQNGSA-N -1 3 263.341 1.636 10 0 CDAEHM CCN(CCC(=O)[O-])CC(=O)N[C@@H](C)c1ccccc1 ZINC000038024141 174006228 /nfs/dbraw/zinc/00/62/28/174006228.db2.gz PULJZVHGVAYXTO-LBPRGKRZSA-N -1 3 278.352 1.660 10 0 CDAEHM CC(C)NCC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000040469970 174278171 /nfs/dbraw/zinc/27/81/71/174278171.db2.gz QCAWJUSHPIGKLZ-UHFFFAOYSA-N -1 3 252.270 1.027 10 0 CDAEHM CCC[C@](C)(N)C(=O)Nc1ccccc1C(=O)[O-] ZINC000040472843 174280648 /nfs/dbraw/zinc/28/06/48/174280648.db2.gz OUIHSHKGGPQMEX-ZDUSSCGKSA-N -1 3 250.298 1.841 10 0 CDAEHM CCC[C@@](C)(N)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000040472962 174281118 /nfs/dbraw/zinc/28/11/18/174281118.db2.gz XTHPPTYLOZKBIE-CYBMUJFWSA-N -1 3 250.298 1.841 10 0 CDAEHM CCCC[C@H](NC(=O)N[C@@H]1CN2CCC1CC2)C(=O)[O-] ZINC000040551291 174328110 /nfs/dbraw/zinc/32/81/10/174328110.db2.gz VHMNNUNUHHAVHG-NWDGAFQWSA-N -1 3 283.372 1.023 10 0 CDAEHM CN1CCC[C@@H](n2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000040715987 174383718 /nfs/dbraw/zinc/38/37/18/174383718.db2.gz HLIQIJUEDLNYIC-SNVBAGLBSA-N -1 3 275.377 1.952 10 0 CDAEHM CCCC[C@@H](NC(=O)N[C@@H]1CCCN(C)C1)C(=O)[O-] ZINC000040716417 174383782 /nfs/dbraw/zinc/38/37/82/174383782.db2.gz AATBYXBGOMNNQK-GHMZBOCLSA-N -1 3 271.361 1.023 10 0 CDAEHM CN1CCC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(O)c2)C1 ZINC000040716365 174383887 /nfs/dbraw/zinc/38/38/87/174383887.db2.gz XDJNMEFMBKCTCH-SNVBAGLBSA-N -1 3 293.323 1.306 10 0 CDAEHM NC(=O)[C@H](NC[C@@H]1CCCO1)c1ccc([O-])c(Cl)c1 ZINC000043489166 175056717 /nfs/dbraw/zinc/05/67/17/175056717.db2.gz OBZFFLJEWVJFRW-JOYOIKCWSA-N -1 3 284.743 1.341 10 0 CDAEHM CCN(CC)CCN[C@@H](C(N)=O)c1ccc([O-])c(Cl)c1 ZINC000043489181 175056833 /nfs/dbraw/zinc/05/68/33/175056833.db2.gz OFLJVEDVFZWGFD-CYBMUJFWSA-N -1 3 299.802 1.503 10 0 CDAEHM COc1cccc(C(=O)NCc2ccnc(C)n2)c1[O-] ZINC000044352240 175166397 /nfs/dbraw/zinc/16/63/97/175166397.db2.gz WXVVUILRURCKNM-UHFFFAOYSA-N -1 3 273.292 1.429 10 0 CDAEHM CC[C@H](C)[C@H](NC(=O)NC[C@H]1CCCN(C)C1)C(=O)[O-] ZINC000044560109 175204396 /nfs/dbraw/zinc/20/43/96/175204396.db2.gz CYLMQISDGJWCGV-TUAOUCFPSA-N -1 3 285.388 1.127 10 0 CDAEHM CC[C@H](C(=O)[O-])N(C)C(=O)Nc1ccccc1CNC ZINC000044629137 175221994 /nfs/dbraw/zinc/22/19/94/175221994.db2.gz UZTXJFOCSQOZLD-GFCCVEGCSA-N -1 3 279.340 1.733 10 0 CDAEHM CCNCC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000044650850 175225056 /nfs/dbraw/zinc/22/50/56/175225056.db2.gz HSOIPDBBINIXHG-UHFFFAOYSA-N -1 3 256.689 1.586 10 0 CDAEHM CCCNCC(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000044650974 175225117 /nfs/dbraw/zinc/22/51/17/175225117.db2.gz LPRWHBVNXRDJTP-UHFFFAOYSA-N -1 3 254.261 1.462 10 0 CDAEHM C[C@@H](CNc1ccc(C(=O)[O-])nn1)N1CCCCC1 ZINC000045011025 175289848 /nfs/dbraw/zinc/28/98/48/175289848.db2.gz YDQUYIWQUCLQBK-JTQLQIEISA-N -1 3 264.329 1.461 10 0 CDAEHM C[C@H](CNC(=O)N(CCC(=O)[O-])C1CC1)N1CCCCC1 ZINC000045013319 175290599 /nfs/dbraw/zinc/29/05/99/175290599.db2.gz MSABHWLITGPVNU-GFCCVEGCSA-N -1 3 297.399 1.510 10 0 CDAEHM CC(C)N(CCCC(=O)[O-])C(=O)NC[C@H](C)N(C)C ZINC000045111832 175310721 /nfs/dbraw/zinc/31/07/21/175310721.db2.gz LYHDULRADAUSEZ-NSHDSACASA-N -1 3 273.377 1.221 10 0 CDAEHM N[C@@](CN1CCc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000045224182 175331967 /nfs/dbraw/zinc/33/19/67/175331967.db2.gz XBBVUOZAIAUVBA-QGZVFWFLSA-N -1 3 282.343 1.988 10 0 CDAEHM CN(C)CCOc1nc2ccccc2cc1C(=O)[O-] ZINC000071387080 176147997 /nfs/dbraw/zinc/14/79/97/176147997.db2.gz ATZICNIEBGEZBU-UHFFFAOYSA-N -1 3 260.293 1.873 10 0 CDAEHM O=c1cc(-c2cc(Br)cs2)[nH]c(=O)[n-]1 ZINC000071612484 176232663 /nfs/dbraw/zinc/23/26/63/176232663.db2.gz DMHLYCWLKCENKU-UHFFFAOYSA-N -1 3 273.111 1.554 10 0 CDAEHM CC(C)c1ccc(NC(=O)c2cc(=O)[n-]c(=O)[nH]2)cc1 ZINC000074728166 176604705 /nfs/dbraw/zinc/60/47/05/176604705.db2.gz PAWXXCGKEYLOIW-UHFFFAOYSA-N -1 3 273.292 1.851 10 0 CDAEHM CN1C[C@H](NCc2ccc([O-])c(Cl)c2)CCC1=O ZINC000077900305 177308841 /nfs/dbraw/zinc/30/88/41/177308841.db2.gz BENHLCGAUNTXHI-SNVBAGLBSA-N -1 3 268.744 1.756 10 0 CDAEHM O=C([O-])c1cncnc1NCCN1CCCCC1 ZINC000305904511 260331798 /nfs/dbraw/zinc/33/17/98/260331798.db2.gz BARQVTJUGUWHJW-UHFFFAOYSA-N -1 3 250.302 1.073 10 0 CDAEHM CO[C@](C)(CO)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000655214870 423848074 /nfs/dbraw/zinc/84/80/74/423848074.db2.gz HKMCVFUEUBSAQO-HNNXBMFYSA-N -1 3 281.352 1.643 10 0 CDAEHM CCN=c1[n-]c(C(=O)NCCC2(CO)CCC2)cs1 ZINC000653041879 424146397 /nfs/dbraw/zinc/14/63/97/424146397.db2.gz XFQWLDMVXKBFKJ-UHFFFAOYSA-N -1 3 283.397 1.279 10 0 CDAEHM COCC1(C[N-]S(=O)(=O)c2ccc(C)o2)CC1 ZINC000655639645 424254816 /nfs/dbraw/zinc/25/48/16/424254816.db2.gz RYEJWICSVWHKLT-UHFFFAOYSA-N -1 3 259.327 1.293 10 0 CDAEHM CCOc1ccc(CN2C[C@@H](OC)C[C@@H]2CC(=O)[O-])nc1 ZINC000652503378 424502851 /nfs/dbraw/zinc/50/28/51/424502851.db2.gz BJQLGBBPIXOPQX-OCCSQVGLSA-N -1 3 294.351 1.544 10 0 CDAEHM CCCN(C)CC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653328373 424547678 /nfs/dbraw/zinc/54/76/78/424547678.db2.gz IAGKHSGHIIJESV-KBPBESRZSA-N -1 3 290.363 1.758 10 0 CDAEHM C[C@H]1CCC[C@@H](CNC(=O)NCc2ncccc2[O-])O1 ZINC000661817137 424603600 /nfs/dbraw/zinc/60/36/00/424603600.db2.gz JPBVAMMINIWREJ-QWRGUYRKSA-N -1 3 279.340 1.544 10 0 CDAEHM C[C@@H]1CCN(CC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000514623115 266021553 /nfs/dbraw/zinc/02/15/53/266021553.db2.gz ZEXMCHCIHWKETD-SNVBAGLBSA-N -1 3 266.316 1.489 10 0 CDAEHM C[C@H]1CCN(C(=O)c2cccc([O-])c2)[C@H](C(N)=O)C1 ZINC000187025804 270267653 /nfs/dbraw/zinc/26/76/53/270267653.db2.gz LFBRASZLASRNLV-CABZTGNLSA-N -1 3 262.309 1.118 10 0 CDAEHM CO[C@@H]1CC[C@H](NC(=O)CCc2c(C)nc(C)[n-]c2=O)C1 ZINC000191760363 270294074 /nfs/dbraw/zinc/29/40/74/270294074.db2.gz HOFZREURFIMKTQ-NWDGAFQWSA-N -1 3 293.367 1.003 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@](O)(C(F)(F)F)C2)n1 ZINC000192614934 270296987 /nfs/dbraw/zinc/29/69/87/270296987.db2.gz QLPSFUQSRLSWKW-GZMMTYOYSA-N -1 3 291.273 1.551 10 0 CDAEHM Cc1ccc(CCNC(=O)NCc2ncccc2[O-])cn1 ZINC000526974519 270652773 /nfs/dbraw/zinc/65/27/73/270652773.db2.gz NPLUAZRQHUVJLJ-UHFFFAOYSA-N -1 3 286.335 1.533 10 0 CDAEHM CC(C)c1ccc(C(=O)NC[C@H](O)[C@H]2CCCO2)c([O-])c1 ZINC000529772660 271036086 /nfs/dbraw/zinc/03/60/86/271036086.db2.gz UBNRMUOGSGHEML-LSDHHAIUSA-N -1 3 293.363 1.785 10 0 CDAEHM Cc1nc(C)c(CC(=O)N[C@]23C[C@H]2COC3(C)C)c(=O)[n-]1 ZINC000529787130 271040815 /nfs/dbraw/zinc/04/08/15/271040815.db2.gz UJXSWHFPSQGNPV-ZUZCIYMTSA-N -1 3 291.351 1.025 10 0 CDAEHM CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000529790252 271042915 /nfs/dbraw/zinc/04/29/15/271042915.db2.gz FVSRVWLTHZXELG-BJOHPYRUSA-N -1 3 289.335 1.357 10 0 CDAEHM COCc1ccc(CN2CC[C@](OC)(C(=O)[O-])C2)cc1 ZINC000530169389 271126308 /nfs/dbraw/zinc/12/63/08/271126308.db2.gz GPOPFWJUQCHOMQ-OAHLLOKOSA-N -1 3 279.336 1.509 10 0 CDAEHM CC(C)C[C@H](NC(=O)[C@H]1NCCCC1(C)C)C(=O)[O-] ZINC000232626969 279190087 /nfs/dbraw/zinc/19/00/87/279190087.db2.gz UODPGBGEJQLUQE-WDEREUQCSA-N -1 3 270.373 1.380 10 0 CDAEHM COc1cccc(C(=O)N[C@H](C)C(=O)OC(C)(C)C)c1[O-] ZINC000126145850 279488651 /nfs/dbraw/zinc/48/86/51/279488651.db2.gz CJGPJQIYUUSHRU-SECBINFHSA-N -1 3 295.335 1.861 10 0 CDAEHM O=S(=O)([N-]CCC[C@@H]1CCCC[C@H]1O)c1c[nH]cn1 ZINC000127929970 279548242 /nfs/dbraw/zinc/54/82/42/279548242.db2.gz MHTMOEDGDNIOIV-WDEREUQCSA-N -1 3 287.385 1.019 10 0 CDAEHM Cc1cccc(C(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)c1[O-] ZINC000137934693 279853422 /nfs/dbraw/zinc/85/34/22/279853422.db2.gz LOOKOHHQNMUWBW-AAEUAGOBSA-N -1 3 290.363 1.865 10 0 CDAEHM CCc1cccc(C(=O)N2CCN3CCC2CC3)c1[O-] ZINC000527308307 281123199 /nfs/dbraw/zinc/12/31/99/281123199.db2.gz WMTHVAOPCBPHQL-UHFFFAOYSA-N -1 3 274.364 1.875 10 0 CDAEHM CCn1ncc(C[N-]S(=O)(=O)c2ccc(C)s2)n1 ZINC000528445996 281231835 /nfs/dbraw/zinc/23/18/35/281231835.db2.gz RDHSVDUKTMTOMP-UHFFFAOYSA-N -1 3 286.382 1.146 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000529976585 281404405 /nfs/dbraw/zinc/40/44/05/281404405.db2.gz HPKYDLHWKIIORU-LKHWLPBLSA-N -1 3 256.327 1.390 10 0 CDAEHM CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000363940808 281458342 /nfs/dbraw/zinc/45/83/42/281458342.db2.gz VAYKTPHMEDWXCJ-FUTJPDQTSA-N -1 3 298.383 1.093 10 0 CDAEHM CN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)[C@@H]1CCOC1 ZINC000162631410 292827609 /nfs/dbraw/zinc/82/76/09/292827609.db2.gz ALGLUYKGTHPDFR-LLVKDONJSA-N -1 3 291.347 1.967 10 0 CDAEHM COc1cc(=NC(=O)COc2cc(C)cc(C)c2)[n-]n1C ZINC000547493443 289780238 /nfs/dbraw/zinc/78/02/38/289780238.db2.gz VGIJYDURAYWYGS-UHFFFAOYSA-N -1 3 289.335 1.485 10 0 CDAEHM COc1cc(=NC(=O)[C@@H](C)c2cccc(OC)c2)[n-]n1C ZINC000547816473 289811826 /nfs/dbraw/zinc/81/18/26/289811826.db2.gz DIHUTRNQLYQOGU-JTQLQIEISA-N -1 3 289.335 1.601 10 0 CDAEHM CC1(C)CC[C@H](C(=O)N=c2cc3ccccn3[n-]2)O1 ZINC000553322803 290112195 /nfs/dbraw/zinc/11/21/95/290112195.db2.gz APBAZXGBCNWNBG-LLVKDONJSA-N -1 3 259.309 1.652 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]c2ccc[nH]c2=O)o1 ZINC000557301577 290340352 /nfs/dbraw/zinc/34/03/52/290340352.db2.gz XOAUBXCFKKRAFA-UHFFFAOYSA-N -1 3 254.267 1.489 10 0 CDAEHM C[C@@H]1CC[C@H]1NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000560808693 293034334 /nfs/dbraw/zinc/03/43/34/293034334.db2.gz HSFYNFRRHDDBPO-BXKDBHETSA-N -1 3 262.309 1.037 10 0 CDAEHM O=C(N=c1cc2ccccn2[n-]1)N[C@H]1CCC[C@H](CO)C1 ZINC000561139838 293053410 /nfs/dbraw/zinc/05/34/10/293053410.db2.gz RNOSBOLHXQQSSX-RYUDHWBXSA-N -1 3 288.351 1.429 10 0 CDAEHM O=C(Cc1cncc(O)c1)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000561206382 293063042 /nfs/dbraw/zinc/06/30/42/293063042.db2.gz JTHMTZQBRJRQPO-UHFFFAOYSA-N -1 3 295.302 1.175 10 0 CDAEHM COC(=O)CC1(NC(=O)c2cccc(C)c2[O-])CC1 ZINC000563229049 293319509 /nfs/dbraw/zinc/31/95/09/293319509.db2.gz JPXNIPKNUXXUPK-UHFFFAOYSA-N -1 3 263.293 1.526 10 0 CDAEHM CCN(CCOCC(=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000563277191 293331221 /nfs/dbraw/zinc/33/12/21/293331221.db2.gz JZJHVWBYYSPMLB-GFCCVEGCSA-N -1 3 295.335 1.250 10 0 CDAEHM O=S(=O)([N-][C@@H](c1cccnc1)C1CC1)c1cscn1 ZINC000573839267 294896833 /nfs/dbraw/zinc/89/68/33/294896833.db2.gz AHRWGGBIVFSYIT-GFCCVEGCSA-N -1 3 295.389 1.968 10 0 CDAEHM C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cncc([O-])c1 ZINC000339950282 299895663 /nfs/dbraw/zinc/89/56/63/299895663.db2.gz ZWBPJGNBZFJNSP-RYUDHWBXSA-N -1 3 277.368 1.780 10 0 CDAEHM Cc1c(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)cnn1C ZINC000334539976 300989659 /nfs/dbraw/zinc/98/96/59/300989659.db2.gz JDARVVSCTUWTLK-VIFPVBQESA-N -1 3 293.339 1.585 10 0 CDAEHM O=S(=O)(c1ccc([O-])cc1)N1CC[C@@H](O)C12CCCC2 ZINC000333466365 304775691 /nfs/dbraw/zinc/77/56/91/304775691.db2.gz MVYQCNCNAFVGBK-CYBMUJFWSA-N -1 3 297.376 1.460 10 0 CDAEHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cscn2)CCO1 ZINC000566794918 316679375 /nfs/dbraw/zinc/67/93/75/316679375.db2.gz UMVZFUDAJYWKML-NXEZZACHSA-N -1 3 290.410 1.625 10 0 CDAEHM C[C@H]1CC=C(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)CC1 ZINC000575187392 316975103 /nfs/dbraw/zinc/97/51/03/316975103.db2.gz 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/nfs/dbraw/zinc/31/46/74/621314674.db2.gz BAIRXYOVDGEKKT-SCZZXKLOSA-N -1 3 295.339 1.729 10 0 CDAEHM O=C(c1ccc[nH]c1=S)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898204706 621361495 /nfs/dbraw/zinc/36/14/95/621361495.db2.gz AKQBZGARUTTXRP-MRVPVSSYSA-N -1 3 290.348 1.429 10 0 CDAEHM O=C(C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)c1ccccc1 ZINC000898220770 621372475 /nfs/dbraw/zinc/37/24/75/621372475.db2.gz GFYRKNBOHMWYSZ-LLVKDONJSA-N -1 3 285.303 1.314 10 0 CDAEHM O=C(N1CC[C@H](c2cc(=O)[nH][n-]2)C1)C1(C(F)F)CCC1 ZINC000898224872 621413452 /nfs/dbraw/zinc/41/34/52/621413452.db2.gz BCJQJABOLLWCIX-QMMMGPOBSA-N -1 3 285.294 1.867 10 0 CDAEHM COc1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)o1 ZINC000898227745 621416091 /nfs/dbraw/zinc/41/60/91/621416091.db2.gz VJEPYZADHKOMHE-MRVPVSSYSA-N -1 3 277.280 1.347 10 0 CDAEHM O=C(NCCCc1c[n-][nH]c1=O)C1(C(F)F)CCC1 ZINC000898745726 621854668 /nfs/dbraw/zinc/85/46/68/621854668.db2.gz UVDPLJJVUPHSRK-MRVPVSSYSA-N -1 3 273.283 1.050 10 0 CDAEHM O=C(NCCCc1c[n-][nH]c1=O)c1cncc(F)c1Cl ZINC000898742819 621859628 /nfs/dbraw/zinc/85/96/28/621859628.db2.gz JPYVQWAOTMPLRE-SSDOTTSWSA-N -1 3 298.705 1.116 10 0 CDAEHM CN1C[C@@H](O)C[C@@]1(C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000901162768 623943492 /nfs/dbraw/zinc/94/34/92/623943492.db2.gz NUAFPSJTDCCTPL-ZANVPECISA-N -1 3 284.743 1.439 10 0 CDAEHM CN1C[C@@H](O)C[C@@]1(C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000901221844 624044994 /nfs/dbraw/zinc/04/49/94/624044994.db2.gz OLBAABMDZZAQJG-ZANVPECISA-N -1 3 284.743 1.439 10 0 CDAEHM Cc1ccc2ncc(CN3CC[C@H]4[C@@H](C3)[C@H]4C(=O)[O-])n2c1 ZINC000902555485 624943997 /nfs/dbraw/zinc/94/39/97/624943997.db2.gz SNVSJZCTWFCKJP-GUTXKFCHSA-N -1 3 285.347 1.795 10 0 CDAEHM Cc1ccc(CN2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])c(C)n1 ZINC000903627900 626042366 /nfs/dbraw/zinc/04/23/66/626042366.db2.gz SSUOHBIQNLZDFZ-MJBXVCDLSA-N -1 3 260.337 1.851 10 0 CDAEHM O=c1cc(-c2nc(-c3ncc[nH]3)no2)nc(C2CC2)[n-]1 ZINC000904714765 626338931 /nfs/dbraw/zinc/33/89/31/626338931.db2.gz 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/nfs/dbraw/zinc/59/23/61/629592361.db2.gz ILUJNMYYVYZBCP-LLVKDONJSA-N -1 3 293.392 1.885 10 0 CDAEHM O=C(N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)C1(O)CCCCC1 ZINC000911854964 629592945 /nfs/dbraw/zinc/59/29/45/629592945.db2.gz OXLJMXLBROVGAM-SNVBAGLBSA-N -1 3 279.340 1.126 10 0 CDAEHM C[C@@H](C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)c1ccncc1 ZINC000911856145 629594690 /nfs/dbraw/zinc/59/46/90/629594690.db2.gz VDXFLZQTBPBWJM-ZYHUDNBSSA-N -1 3 286.335 1.630 10 0 CDAEHM CC(C)(C)C[C@H](O)CC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911856460 629594921 /nfs/dbraw/zinc/59/49/21/629594921.db2.gz WYMWSHAVKXJJFN-GHMZBOCLSA-N -1 3 295.383 1.618 10 0 CDAEHM COc1cccc([O-])c1C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000913653398 630727675 /nfs/dbraw/zinc/72/76/75/630727675.db2.gz QUZRUDCLBNKUPM-UTSHJETRSA-N -1 3 289.331 1.554 10 0 CDAEHM COc1ncc(S(=O)(=O)[N-]CCC2=CCCC2)s1 ZINC000914284103 631310105 /nfs/dbraw/zinc/31/01/05/631310105.db2.gz DSWQJLAEROTUTK-UHFFFAOYSA-N -1 3 288.394 1.930 10 0 CDAEHM Cc1noc(C[N-]S(=O)(=O)CCCC(C)(F)F)n1 ZINC000914426692 631425326 /nfs/dbraw/zinc/42/53/26/631425326.db2.gz OMLCBNXUTOLGDY-UHFFFAOYSA-N -1 3 283.300 1.233 10 0 CDAEHM Cc1cc(CSCCc2nnn[n-]2)c(C)nn1 ZINC000917858712 632291174 /nfs/dbraw/zinc/29/11/74/632291174.db2.gz JQCHXKXAYCWCIG-UHFFFAOYSA-N -1 3 250.331 1.082 10 0 CDAEHM Cc1cc(CSCCc2nn[n-]n2)c(C)nn1 ZINC000917858712 632291176 /nfs/dbraw/zinc/29/11/76/632291176.db2.gz JQCHXKXAYCWCIG-UHFFFAOYSA-N -1 3 250.331 1.082 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2c(C)cccc2C)nn1 ZINC000866975457 633150532 /nfs/dbraw/zinc/15/05/32/633150532.db2.gz UFJKRSGFSFNKER-UHFFFAOYSA-N -1 3 291.376 1.880 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@]1(C)CCCCO1 ZINC000921678835 633156854 /nfs/dbraw/zinc/15/68/54/633156854.db2.gz PFSQEOPNNGFHJL-GFCCVEGCSA-N -1 3 288.369 1.529 10 0 CDAEHM O=C(c1cc([O-])ccc1Cl)N1C[C@H](CO)[C@@H](CCO)C1 ZINC001650607568 1158486459 /nfs/dbraw/zinc/48/64/59/1158486459.db2.gz XRLDYLHPDHUAHD-VHSXEESVSA-N -1 3 299.754 1.109 10 0 CDAEHM O=C(c1cc([O-])ccc1Cl)N1C[C@H](CCO)[C@H](CO)C1 ZINC001650607566 1158485657 /nfs/dbraw/zinc/48/56/57/1158485657.db2.gz XRLDYLHPDHUAHD-UWVGGRQHSA-N -1 3 299.754 1.109 10 0 CDAEHM CO[C@H]1CCN(Cc2nc(C)cc(=O)[n-]2)[C@@H](C)C1 ZINC000799345308 694868957 /nfs/dbraw/zinc/86/89/57/694868957.db2.gz XWYKCNAAJHKJLT-QWRGUYRKSA-N -1 3 251.330 1.490 10 0 CDAEHM COCCCO[N-]C(=O)C[C@H](O)Cc1ccccc1 ZINC000813609905 693870031 /nfs/dbraw/zinc/87/00/31/693870031.db2.gz HPRMJGQMBRGENQ-CYBMUJFWSA-N -1 3 267.325 1.064 10 0 CDAEHM CS(C)(=O)=NS(=O)(=O)[N-]C/C=C/c1ccccc1 ZINC000866779592 694889648 /nfs/dbraw/zinc/88/96/48/694889648.db2.gz PSWMRMRWGBGTSI-RMKNXTFCSA-N -1 3 288.394 1.262 10 0 CDAEHM Cn1ncc(NC([O-])=NO[C@H]2CCCCO2)c1C(F)F ZINC000775688076 693907816 /nfs/dbraw/zinc/90/78/16/693907816.db2.gz LRVQKSUKOUMKLG-QMMMGPOBSA-N -1 3 290.270 1.937 10 0 CDAEHM Cn1ncc(NC(=O)[N-]O[C@H]2CCCCO2)c1C(F)F ZINC000775688076 693907824 /nfs/dbraw/zinc/90/78/24/693907824.db2.gz LRVQKSUKOUMKLG-QMMMGPOBSA-N -1 3 290.270 1.937 10 0 CDAEHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OC[C@H]1CC1(F)F ZINC000816423092 693980867 /nfs/dbraw/zinc/98/08/67/693980867.db2.gz YWVQUAKVDDTMKR-HTQZYQBOSA-N -1 3 299.339 1.149 10 0 CDAEHM C[C@]1(Br)C[C@H]1C(=O)[N-]OC/C=C/Cl ZINC000861783387 694006704 /nfs/dbraw/zinc/00/67/04/694006704.db2.gz VJLVGVXZSTVFQC-ZSSFWIJDSA-N -1 3 268.538 1.960 10 0 CDAEHM S=C(NC[C@H]1CCCO1)NN=c1ncc(Cl)c[n-]1 ZINC000857202399 694010026 /nfs/dbraw/zinc/01/00/26/694010026.db2.gz IYHDAQNHRYCYMM-MRVPVSSYSA-N -1 3 287.776 1.100 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCO[C@@](C)(C(F)F)C2)n1 ZINC000852785114 694033753 /nfs/dbraw/zinc/03/37/53/694033753.db2.gz ZNRNIHZGOMRXAM-GFCCVEGCSA-N -1 3 273.283 1.347 10 0 CDAEHM COc1cc[n-]c(=NNC(=O)[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000066317420 694054501 /nfs/dbraw/zinc/05/45/01/694054501.db2.gz GINDAVAXUBAVSP-NEPJUHHUSA-N -1 3 284.319 1.732 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CC=CCC2)nn1 ZINC000866813949 694086947 /nfs/dbraw/zinc/08/69/47/694086947.db2.gz HBYRRBTXZYJHBM-JTQLQIEISA-N -1 3 253.327 1.172 10 0 CDAEHM Cc1cc(=O)[n-]c(CN[C@H](CO)c2ccccc2)n1 ZINC000700480737 694109462 /nfs/dbraw/zinc/10/94/62/694109462.db2.gz UMCATFLXAKHLHY-GFCCVEGCSA-N -1 3 259.309 1.314 10 0 CDAEHM Cc1nc(C)c(CC(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)c(=O)[n-]1 ZINC000844103795 688819112 /nfs/dbraw/zinc/81/91/12/688819112.db2.gz ADRPYADIYGVTAJ-SDDRHHMPSA-N -1 3 275.352 1.646 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC[C@H](O)C2CCCC2)nn1 ZINC000867930691 688851030 /nfs/dbraw/zinc/85/10/30/688851030.db2.gz FWFZJNMWBLQAFB-LBPRGKRZSA-N -1 3 299.396 1.005 10 0 CDAEHM COCCCO[N-]C(=O)C[C@@H]1Cc2ccccc2O1 ZINC000868329547 688859330 /nfs/dbraw/zinc/85/93/30/688859330.db2.gz DONGCIJMAYQFSD-LBPRGKRZSA-N -1 3 265.309 1.465 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](CO)C2CC2)c(F)c1F ZINC000859008933 688870750 /nfs/dbraw/zinc/87/07/50/688870750.db2.gz VZMKWYORJCQPDL-VIFPVBQESA-N -1 3 291.319 1.322 10 0 CDAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C12CCC(CC1)C2 ZINC000867092185 694255822 /nfs/dbraw/zinc/25/58/22/694255822.db2.gz HTZKZLDQXVMCAD-UDUZUONDSA-N -1 3 280.415 1.271 10 0 CDAEHM COc1nn(C)cc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436984546 694307085 /nfs/dbraw/zinc/30/70/85/694307085.db2.gz CCPWJONHQOIUHW-UHFFFAOYSA-N -1 3 291.263 1.115 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCC[C@@H](C3OCCO3)C2)n1 ZINC000719021238 694426026 /nfs/dbraw/zinc/42/60/26/694426026.db2.gz NRIGPYZDIGQYJJ-LLVKDONJSA-N -1 3 279.340 1.076 10 0 CDAEHM O=C(N[C@@H]1CCCN2CCSC[C@@H]12)c1ccccc1[O-] ZINC000720395616 692261379 /nfs/dbraw/zinc/26/13/79/692261379.db2.gz JVDCGZQOGANXHW-OLZOCXBDSA-N -1 3 292.404 1.702 10 0 CDAEHM COC(=O)c1cc(C(=O)OC[C@@H](OC)[C@@H]2CCOC2)c[n-]1 ZINC000849783085 692387666 /nfs/dbraw/zinc/38/76/66/692387666.db2.gz MZKFENWSEVZNIQ-BXKDBHETSA-N -1 3 297.307 1.010 10 0 CDAEHM Cc1nc(NC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc(=O)[n-]1 ZINC000724324849 692548297 /nfs/dbraw/zinc/54/82/97/692548297.db2.gz MHWIPHZQQFYERN-PBINXNQUSA-N -1 3 283.353 1.011 10 0 CDAEHM O=C([O-])c1ccc(CNC[C@@H]2CN(C3CC3)C(=O)O2)s1 ZINC000864050788 692598711 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COc1n[n-]c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000126802367 692720134 /nfs/dbraw/zinc/72/01/34/692720134.db2.gz GWUSXIYQQDOWFO-VHSXEESVSA-N -1 3 258.281 1.556 10 0 CDAEHM COc1cc(NC(=O)c2cccc3n[n-]nc32)ccc1O ZINC000798100310 692818814 /nfs/dbraw/zinc/81/88/14/692818814.db2.gz NGOAVFMOLMWDAU-UHFFFAOYSA-N -1 3 284.275 1.924 10 0 CDAEHM CC(C)c1ccc(C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)c([O-])c1 ZINC000863759273 692862722 /nfs/dbraw/zinc/86/27/22/692862722.db2.gz QEZGSQYISQMDOX-DGCLKSJQSA-N -1 3 289.331 1.761 10 0 CDAEHM CC[C@@H]1[C@H](CO)CCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000452950294 692893117 /nfs/dbraw/zinc/89/31/17/692893117.db2.gz LEWBEMHECDGTNV-GXSJLCMTSA-N -1 3 293.319 1.354 10 0 CDAEHM CC(C)(C)N1CC[C@@](F)(C(=O)[N-]OC(C)(C)CO)C1 ZINC000836806079 692997626 /nfs/dbraw/zinc/99/76/26/692997626.db2.gz MKBABZFDAGIRKV-ZDUSSCGKSA-N -1 3 276.352 1.018 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CC2CCC1CC2 ZINC000866983774 693019973 /nfs/dbraw/zinc/01/99/73/693019973.db2.gz 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1166672915 /nfs/dbraw/zinc/67/29/15/1166672915.db2.gz SAHDICLSSQDTFK-UHFFFAOYSA-N -1 3 287.254 1.753 10 0 CDAEHM COc1n[n-]c(NC(=O)c2c(F)ccc3ccncc32)n1 ZINC001636377197 1166672918 /nfs/dbraw/zinc/67/29/18/1166672918.db2.gz SAHDICLSSQDTFK-UHFFFAOYSA-N -1 3 287.254 1.753 10 0 CDAEHM CC(=O)c1cccc(NC(=O)[C@H](O)c2cnn(C)c2)c1[O-] ZINC001638109733 1166819443 /nfs/dbraw/zinc/81/94/43/1166819443.db2.gz RKVKLGOZDNOTDM-GFCCVEGCSA-N -1 3 289.291 1.000 10 0 CDAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC001647324918 1168561597 /nfs/dbraw/zinc/56/15/97/1168561597.db2.gz DQLKEWHVBRYMRB-ZMZKGCHWSA-N -1 3 293.367 1.351 10 0 CDAEHM CC1([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC001649799861 1169377272 /nfs/dbraw/zinc/37/72/72/1169377272.db2.gz NGWCGWJRPPEALV-UHFFFAOYSA-N -1 3 280.271 1.931 10 0 CDAEHM C[C@@]1(C(=O)[O-])CCC[C@@H]1NCc1cn(C2CCC2)nn1 ZINC001650009583 1169599774 /nfs/dbraw/zinc/59/97/74/1169599774.db2.gz FPVPJTFQTNAEDW-GXTWGEPZSA-N -1 3 278.356 1.736 10 0 CDAEHM Cc1ccc(NCCCNC(=O)c2cnncc2[O-])nc1 ZINC001587308507 1170636287 /nfs/dbraw/zinc/63/62/87/1170636287.db2.gz GAEDWIHBVIDYGN-UHFFFAOYSA-N -1 3 287.323 1.118 10 0 CDAEHM CC(C)CC(=O)NCCCC[C@@H](C)NC(=O)c1cn[n-]n1 ZINC001719022686 1181108919 /nfs/dbraw/zinc/10/89/19/1181108919.db2.gz ZXIIUEXHVCTVSB-LLVKDONJSA-N -1 3 295.387 1.256 10 0 CDAEHM C[C@H](CNC(=O)C=C1CCC1)NC(=O)c1ccccc1[O-] ZINC001721910979 1181419984 /nfs/dbraw/zinc/41/99/84/1181419984.db2.gz ORBQZAILQQOQTN-LLVKDONJSA-N -1 3 288.347 1.737 10 0 CDAEHM CCOCCN1CC(N(C)C(=O)c2ccccc2[O-])C1 ZINC001723734093 1181596943 /nfs/dbraw/zinc/59/69/43/1181596943.db2.gz HDQUTJAVANBVLY-UHFFFAOYSA-N -1 3 278.352 1.185 10 0 CDAEHM CN(CCNCc1cnsn1)C(=O)c1ccccc1[O-] ZINC001731892769 1182658976 /nfs/dbraw/zinc/65/89/76/1182658976.db2.gz XVUGSRQGMYZMMO-UHFFFAOYSA-N -1 3 292.364 1.106 10 0 CDAEHM O=C(NC[C@H]1CCCC1=O)c1nnc2ccccc2c1[O-] ZINC000190032856 1184518898 /nfs/dbraw/zinc/51/88/98/1184518898.db2.gz BTGAIOYDVRCHQA-SECBINFHSA-N -1 3 285.303 1.022 10 0 CDAEHM COc1nnc(NC(=O)C=C(C)c2ccccc2)[n-]1 ZINC000179370257 723119615 /nfs/dbraw/zinc/11/96/15/723119615.db2.gz SDNZJHIHEPMPAD-CMDGGOBGSA-N -1 3 258.281 1.855 10 0 CDAEHM COc1nc(NC(=O)C=C(C)c2ccccc2)n[n-]1 ZINC000179370257 723119620 /nfs/dbraw/zinc/11/96/20/723119620.db2.gz SDNZJHIHEPMPAD-CMDGGOBGSA-N -1 3 258.281 1.855 10 0 CDAEHM COc1n[n-]c(NC(=O)C=C(C)c2ccccc2)n1 ZINC000179370257 723119626 /nfs/dbraw/zinc/11/96/26/723119626.db2.gz SDNZJHIHEPMPAD-CMDGGOBGSA-N -1 3 258.281 1.855 10 0 CDAEHM C[C@H]1CN(C(=O)c2cc3c(cc2[O-])OCO3)C[C@H](C)C1O ZINC000855690250 723200805 /nfs/dbraw/zinc/20/08/05/723200805.db2.gz GBMREOIFLCUJSP-IUCAKERBSA-N -1 3 293.319 1.210 10 0 CDAEHM C=C[C@@H](C)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000187592934 723664335 /nfs/dbraw/zinc/66/43/35/723664335.db2.gz YOJQEONCFKBVEH-BDAKNGLRSA-N -1 3 263.359 1.068 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@]1(C)CCCC[C@@H]1C ZINC000867376603 723668821 /nfs/dbraw/zinc/66/88/21/723668821.db2.gz DUIXTGHWPBTSGZ-RVPKQNPDSA-N -1 3 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/nfs/dbraw/zinc/75/57/46/371755746.db2.gz YDCVPQPGJKBTGR-ZDUSSCGKSA-N -1 3 292.335 1.648 10 0 CDAEHM O=C(c1c([O-])cnc2ccccc21)N1CCN2CCC[C@H]2C1 ZINC000176714558 372745049 /nfs/dbraw/zinc/74/50/49/372745049.db2.gz XSJCDKATPCVNPG-LBPRGKRZSA-N -1 3 297.358 1.861 10 0 CDAEHM CNC(=O)c1nn[n-]c1NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000333196163 205107811 /nfs/dbraw/zinc/10/78/11/205107811.db2.gz WGKZCVJTOPUYFO-DTWKUNHWSA-N -1 3 293.371 1.565 10 0 CDAEHM CNC(=O)c1[n-]nnc1NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000333196163 205107815 /nfs/dbraw/zinc/10/78/15/205107815.db2.gz WGKZCVJTOPUYFO-DTWKUNHWSA-N -1 3 293.371 1.565 10 0 CDAEHM CNC(=O)c1n[n-]nc1NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000333196163 205107817 /nfs/dbraw/zinc/10/78/17/205107817.db2.gz WGKZCVJTOPUYFO-DTWKUNHWSA-N -1 3 293.371 1.565 10 0 CDAEHM CCCC[C@H](CC)CNC(=O)[C@@H](N)CCC(=O)[O-] ZINC000083430766 373660574 /nfs/dbraw/zinc/66/05/74/373660574.db2.gz ZGOONWXFJGMOIR-QWRGUYRKSA-N -1 3 258.362 1.511 10 0 CDAEHM Cn1cnnc1[N-]C(=O)c1csc(C(F)(F)F)n1 ZINC000341673170 373857467 /nfs/dbraw/zinc/85/74/67/373857467.db2.gz GBYDARRATKOSGO-UHFFFAOYSA-N -1 3 277.231 1.543 10 0 CDAEHM CCn1c(=O)[n-]nc1SCc1nc(CC2CC2)no1 ZINC000631005777 374189230 /nfs/dbraw/zinc/18/92/30/374189230.db2.gz VDPAVXPPPBIKEI-UHFFFAOYSA-N -1 3 281.341 1.631 10 0 CDAEHM CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000191034619 374668493 /nfs/dbraw/zinc/66/84/93/374668493.db2.gz YILFVDLGOFWBIF-IUCAKERBSA-N -1 3 261.368 1.594 10 0 CDAEHM Cc1ccc([O-])c(CN(C)[C@@H]2CCCCNC2=O)n1 ZINC000123856324 374730756 /nfs/dbraw/zinc/73/07/56/374730756.db2.gz QEHBNEMYPYXSRG-GFCCVEGCSA-N -1 3 263.341 1.196 10 0 CDAEHM C[C@@H](O)[C@H]([N-]S(=O)(=O)Cc1ccon1)c1ccccc1 ZINC000660161399 412830722 /nfs/dbraw/zinc/83/07/22/412830722.db2.gz FPPFNLMECYHELQ-MFKMUULPSA-N -1 3 296.348 1.216 10 0 CDAEHM O=C1C[C@H]2CC[C@@H](CN1)N2Cc1c(F)ccc([O-])c1F ZINC000334383859 375151307 /nfs/dbraw/zinc/15/13/07/375151307.db2.gz HUOMIKDDKVLACO-BDAKNGLRSA-N -1 3 282.290 1.523 10 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/nfs/dbraw/zinc/54/56/42/377545642.db2.gz DCQHKFBKOXWNBP-UTUOFQBUSA-N -1 3 289.397 1.185 10 0 CDAEHM C[C@H]1C[C@@H]1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000265727962 190202283 /nfs/dbraw/zinc/20/22/83/190202283.db2.gz JNAPUFCATNHILK-WCBMZHEXSA-N -1 3 252.289 1.987 10 0 CDAEHM O=S(=O)(NC[C@H]1CCN1C1CCCCC1)c1ncc[n-]1 ZINC000632591608 377646973 /nfs/dbraw/zinc/64/69/73/377646973.db2.gz BVRSRSWQFTZTHO-GFCCVEGCSA-N -1 3 298.412 1.095 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000632598062 377653625 /nfs/dbraw/zinc/65/36/25/377653625.db2.gz JPUXSJVCQMDETA-NZHYYXIDSA-N -1 3 297.367 1.763 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCCC12CC2 ZINC000632614326 377672831 /nfs/dbraw/zinc/67/28/31/377672831.db2.gz HBFFFQFKCRGIBD-SNVBAGLBSA-N -1 3 270.354 1.902 10 0 CDAEHM CCCCCOC(=S)[N-]C[C@H]1CCS(=O)(=O)C1 ZINC000040166916 377793094 /nfs/dbraw/zinc/79/30/94/377793094.db2.gz IHRFUOAZIDNVLC-SNVBAGLBSA-N -1 3 279.427 1.502 10 0 CDAEHM CO[C@@H](C)CS(=O)(=O)[N-][C@@H](CF)c1ccc(F)cc1 ZINC000632770985 377844832 /nfs/dbraw/zinc/84/48/32/377844832.db2.gz GPUZGPFLZDDYQN-CABZTGNLSA-N -1 3 293.335 1.791 10 0 CDAEHM CCc1ccc(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)c([O-])c1 ZINC000191731095 378131534 /nfs/dbraw/zinc/13/15/34/378131534.db2.gz FFHMHCYUTBOYEH-RYUDHWBXSA-N -1 3 290.363 1.729 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CC[C@@H]2C(F)F)c1 ZINC000633229714 378232595 /nfs/dbraw/zinc/23/25/95/378232595.db2.gz HBZIQXSVGWMTCQ-SECBINFHSA-N -1 3 257.236 1.880 10 0 CDAEHM O=C(Cc1ccc([O-])cc1Cl)NC[C@@H]1CCCO1 ZINC000136050307 378316732 /nfs/dbraw/zinc/31/67/32/378316732.db2.gz JUYPKKZOWFCJLL-NSHDSACASA-N -1 3 269.728 1.883 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc3[n-]nnc32)[C@@H](C)[C@@H](C)O1 ZINC000525873428 378474379 /nfs/dbraw/zinc/47/43/79/378474379.db2.gz HFRXTVXMHKVLKY-KXUCPTDWSA-N -1 3 274.324 1.596 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc3nn[n-]c32)[C@@H](C)[C@@H](C)O1 ZINC000525873428 378474383 /nfs/dbraw/zinc/47/43/83/378474383.db2.gz HFRXTVXMHKVLKY-KXUCPTDWSA-N -1 3 274.324 1.596 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc3n[n-]nc32)[C@@H](C)[C@@H](C)O1 ZINC000525873428 378474387 /nfs/dbraw/zinc/47/43/87/378474387.db2.gz HFRXTVXMHKVLKY-KXUCPTDWSA-N -1 3 274.324 1.596 10 0 CDAEHM C[C@H]1CCCC[C@@H]1C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633520696 378510337 /nfs/dbraw/zinc/51/03/37/378510337.db2.gz JUAZSFWPNZJKFG-WPRPVWTQSA-N -1 3 265.313 1.330 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2C[C@H](OC)C[C@@]2(C)CO)c1 ZINC000634060357 379003038 /nfs/dbraw/zinc/00/30/38/379003038.db2.gz GELLLTGPIKSGST-ABAIWWIYSA-N -1 3 295.335 1.013 10 0 CDAEHM O=c1[n-]c([C@@H]2CCCN(CCCc3ccncc3)C2)n[nH]1 ZINC000344082548 379147310 /nfs/dbraw/zinc/14/73/10/379147310.db2.gz DODWPBBJELKAJN-CYBMUJFWSA-N -1 3 287.367 1.718 10 0 CDAEHM NC(=O)c1cc([N-]C(=O)c2onc3c2CCCC3)cs1 ZINC000634421516 379536566 /nfs/dbraw/zinc/53/65/66/379536566.db2.gz XQSKCCKNYUYERX-UHFFFAOYSA-N -1 3 291.332 1.966 10 0 CDAEHM CC(C)[C@H](O)C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000279244689 194349820 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/nfs/dbraw/zinc/18/01/27/483180127.db2.gz FVDLGOCFPAKQPE-UHFFFAOYSA-N -1 3 298.399 1.826 10 0 CDAEHM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C)o2)o1 ZINC000490633217 253043021 /nfs/dbraw/zinc/04/30/21/253043021.db2.gz UUUMFLHHTJGTME-UHFFFAOYSA-N -1 3 284.337 1.925 10 0 CDAEHM CCCCC[N-]S(=O)(=O)c1cnccc1OCC ZINC000288856158 197180163 /nfs/dbraw/zinc/18/01/63/197180163.db2.gz FMRYWCGOEMZWIV-UHFFFAOYSA-N -1 3 272.370 1.949 10 0 CDAEHM COCCCO[N-]C(=O)Cc1ccc(Cl)nc1C ZINC000288113165 197006776 /nfs/dbraw/zinc/00/67/76/197006776.db2.gz LRHOIDIWCBVDAS-UHFFFAOYSA-N -1 3 272.732 1.670 10 0 CDAEHM COc1nnc(NC(=O)COc2ccc(F)cc2F)[n-]1 ZINC000158175479 533184854 /nfs/dbraw/zinc/18/48/54/533184854.db2.gz GAWGNTAJAJTBAQ-UHFFFAOYSA-N -1 3 284.222 1.109 10 0 CDAEHM COc1nc(NC(=O)COc2ccc(F)cc2F)n[n-]1 ZINC000158175479 533184857 /nfs/dbraw/zinc/18/48/57/533184857.db2.gz GAWGNTAJAJTBAQ-UHFFFAOYSA-N -1 3 284.222 1.109 10 0 CDAEHM COc1n[n-]c(NC(=O)COc2ccc(F)cc2F)n1 ZINC000158175479 533184862 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1.416 10 0 CDAEHM O=S(=O)([N-][C@H]1CNCCC1(F)F)c1cccs1 ZINC000334968931 150130242 /nfs/dbraw/zinc/13/02/42/150130242.db2.gz VPJPFVOWCZHOFB-ZETCQYMHSA-N -1 3 282.337 1.024 10 0 CDAEHM Cc1ccc([O-])c(C(=O)NC2(CF)CCOCC2)c1 ZINC000334991621 150159898 /nfs/dbraw/zinc/15/98/98/150159898.db2.gz METSZFVDAADJBY-UHFFFAOYSA-N -1 3 267.300 1.949 10 0 CDAEHM C[C@@]1(c2ccc(NC(=O)[C@@H]3CC34CC4)cc2)NC(=O)[N-]C1=O ZINC000335073242 150261788 /nfs/dbraw/zinc/26/17/88/150261788.db2.gz LCFYXUDMPHYVQV-NHYWBVRUSA-N -1 3 299.330 1.480 10 0 CDAEHM COc1cc(C(=O)N2C[C@@H](O)CC[C@@H]2C)ccc1[O-] ZINC000422031323 286198998 /nfs/dbraw/zinc/19/89/98/286198998.db2.gz KCXCOMRFQRQZFX-ONGXEEELSA-N -1 3 265.309 1.386 10 0 CDAEHM CN1CCC[C@H]1C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000335967078 151157430 /nfs/dbraw/zinc/15/74/30/151157430.db2.gz HTCAIVJHCHLJEN-LBPRGKRZSA-N -1 3 294.376 1.805 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](C)C2CCOCC2)o1 ZINC000336139446 151304793 /nfs/dbraw/zinc/30/47/93/151304793.db2.gz WFYMAKASZONHAQ-SNVBAGLBSA-N -1 3 273.354 1.681 10 0 CDAEHM COc1ccc(Br)c2c1C(=O)C(=O)[N-]2 ZINC000083869020 286270070 /nfs/dbraw/zinc/27/00/70/286270070.db2.gz CSHATLUFQAOJMP-UHFFFAOYSA-N -1 3 256.055 1.593 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)[C@H](C)NC(=O)c2ccccc2)n1 ZINC000345930874 152999570 /nfs/dbraw/zinc/99/95/70/152999570.db2.gz FGCPGGPWUWXEJJ-NSHDSACASA-N -1 3 299.330 1.853 10 0 CDAEHM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1ccccn1 ZINC000352328352 155098089 /nfs/dbraw/zinc/09/80/89/155098089.db2.gz HJLQLPOSGWSLPW-UHFFFAOYSA-N -1 3 280.271 1.702 10 0 CDAEHM CCn1nccc1CN(CCO)Cc1nc(C)ccc1[O-] ZINC000355489686 157079498 /nfs/dbraw/zinc/07/94/98/157079498.db2.gz YIQOMQXCRGPVBR-UHFFFAOYSA-N -1 3 290.367 1.307 10 0 CDAEHM COc1nnc(NC(=O)c2oc(CC3CC3)nc2C)[n-]1 ZINC000356210599 157398410 /nfs/dbraw/zinc/39/84/10/157398410.db2.gz DKTGLUBZZWWDQA-UHFFFAOYSA-N -1 3 277.284 1.315 10 0 CDAEHM COc1nc(NC(=O)c2oc(CC3CC3)nc2C)n[n-]1 ZINC000356210599 157398412 /nfs/dbraw/zinc/39/84/12/157398412.db2.gz 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C[C@]1(F)CCCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000295560486 371342128 /nfs/dbraw/zinc/34/21/28/371342128.db2.gz LIPHILCTFWWTRN-ZDUSSCGKSA-N -1 3 262.288 1.922 10 0 CDAEHM O=C([O-])[C@H]1c2ccccc2CCN1C[C@H]1COCCO1 ZINC000573213815 371465627 /nfs/dbraw/zinc/46/56/27/371465627.db2.gz SVEHOQRVUXYUHY-GXTWGEPZSA-N -1 3 277.320 1.086 10 0 CDAEHM CC[C@@H](NC(=O)c1ccc([O-])c(C)c1)[C@H](O)C(F)F ZINC000296279101 371692020 /nfs/dbraw/zinc/69/20/20/371692020.db2.gz PZHGQXVGEBKBEK-KOLCDFICSA-N -1 3 273.279 1.835 10 0 CDAEHM CNC(C)(C)CN=c1[n-]c(C(F)(F)F)ns1 ZINC000336726522 371871935 /nfs/dbraw/zinc/87/19/35/371871935.db2.gz CBWHVNXKOSSKBT-UHFFFAOYSA-N -1 3 254.281 1.389 10 0 CDAEHM C[C@H](CN1CCCCC1)N=c1[n-]c(C2CCOCC2)no1 ZINC000580527402 371837586 /nfs/dbraw/zinc/83/75/86/371837586.db2.gz OBFKGEFIXXCOMR-GFCCVEGCSA-N -1 3 294.399 1.672 10 0 CDAEHM O=S(=O)([N-][C@H]1CCc2c[nH]nc2C1)c1cccs1 ZINC000170279026 372100189 /nfs/dbraw/zinc/10/01/89/372100189.db2.gz PWJNRWMCVDVUMT-VIFPVBQESA-N -1 3 283.378 1.307 10 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DLYFSSVPMVHZOL-SECBINFHSA-N -1 3 257.359 1.911 10 0 CDAEHM Cn1ncc2c1nc(CN(Cc1ccco1)C1CC1)[n-]c2=O ZINC000052827382 375250357 /nfs/dbraw/zinc/25/03/57/375250357.db2.gz KUFWCFCHFCCXAY-UHFFFAOYSA-N -1 3 299.334 1.827 10 0 CDAEHM CC(C)c1ccc(C(=O)N2CC(=O)N(C)[C@H](C)C2)c([O-])c1 ZINC000334415665 375305314 /nfs/dbraw/zinc/30/53/14/375305314.db2.gz NFRPLFSSMUGSQI-LLVKDONJSA-N -1 3 290.363 1.818 10 0 CDAEHM CO[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)C1CCCC1 ZINC000667013590 483052074 /nfs/dbraw/zinc/05/20/74/483052074.db2.gz CLUJJXDDJVGQFD-SSDOTTSWSA-N -1 3 292.261 1.967 10 0 CDAEHM CO[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)C1CCCC1 ZINC000667013590 483052079 /nfs/dbraw/zinc/05/20/79/483052079.db2.gz CLUJJXDDJVGQFD-SSDOTTSWSA-N -1 3 292.261 1.967 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)c1cn2cccnc2n1 ZINC000132766367 375589446 /nfs/dbraw/zinc/58/94/46/375589446.db2.gz WGWNQFATNDMERZ-UHFFFAOYSA-N -1 3 286.266 1.504 10 0 CDAEHM O=C(NCc1c[nH]cn1)c1ccc2c(c1[O-])CCCC2 ZINC000334484239 375646384 /nfs/dbraw/zinc/64/63/84/375646384.db2.gz ZKLVVJPCPUEODA-UHFFFAOYSA-N -1 3 271.320 1.924 10 0 CDAEHM Cc1cccc2c(=O)c(C(=O)N[C@@H](C)[C@@H](C)CO)c[n-]c12 ZINC000164999772 375731482 /nfs/dbraw/zinc/73/14/82/375731482.db2.gz WPKAFBAGRMAVIX-QWRGUYRKSA-N -1 3 288.347 1.996 10 0 CDAEHM COc1cccc(C(=O)NCC2CCOCC2)c1[O-] ZINC000070160880 375776747 /nfs/dbraw/zinc/77/67/47/375776747.db2.gz VSYAYXBYQCYXCA-UHFFFAOYSA-N -1 3 265.309 1.557 10 0 CDAEHM Cc1cccc([O-])c1C(=O)NCCCc1ncn(C)n1 ZINC000627911746 375856280 /nfs/dbraw/zinc/85/62/80/375856280.db2.gz VOCCORWTWXSVJT-UHFFFAOYSA-N -1 3 274.324 1.192 10 0 CDAEHM CN1CC[C@H](NC(=O)c2cncc([O-])c2)[C@H]1c1ccccc1 ZINC000245807302 376182358 /nfs/dbraw/zinc/18/23/58/376182358.db2.gz BQDITBQIZXVYOF-JKSUJKDBSA-N -1 3 297.358 1.962 10 0 CDAEHM CCCN1CCC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000331023042 376396159 /nfs/dbraw/zinc/39/61/59/376396159.db2.gz RAIXVCLQEBRECU-LBPRGKRZSA-N -1 3 263.341 1.278 10 0 CDAEHM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631646392 376442089 /nfs/dbraw/zinc/44/20/89/376442089.db2.gz IIBMWECVRGRBEL-YUMQZZPRSA-N -1 3 276.383 1.706 10 0 CDAEHM CC[C@H]1C[C@H](NC(=O)NCc2ncccc2[O-])CCO1 ZINC000420907125 376460722 /nfs/dbraw/zinc/46/07/22/376460722.db2.gz SYSZWKUBYHRWCP-MNOVXSKESA-N -1 3 279.340 1.544 10 0 CDAEHM Cc1noc([C@@H](C)[N-]S(=O)(=O)C[C@H]2CCC2(F)F)n1 ZINC000631868342 376751285 /nfs/dbraw/zinc/75/12/85/376751285.db2.gz FFWNJOUIXHVNGX-HTRCEHHLSA-N -1 3 295.311 1.404 10 0 CDAEHM C/C=C/C[C@@H]([N-]S(=O)(=O)CC1CC1)C(=O)OCC ZINC000433878474 248061250 /nfs/dbraw/zinc/06/12/50/248061250.db2.gz GZPIGNOXCGDVAK-JOAKQRRISA-N -1 3 275.370 1.214 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-]Cc2ccnc(C)n2)sc1C ZINC000435224235 248156782 /nfs/dbraw/zinc/15/67/82/248156782.db2.gz BVXANWBBVOBEIG-UHFFFAOYSA-N -1 3 298.393 1.337 10 0 CDAEHM COc1nnc(NC(=O)[C@H](c2cccnc2)C(C)C)[n-]1 ZINC000436147046 248226274 /nfs/dbraw/zinc/22/62/74/248226274.db2.gz CHJRXFNQGGQUQX-JTQLQIEISA-N -1 3 275.312 1.587 10 0 CDAEHM COc1nc(NC(=O)[C@H](c2cccnc2)C(C)C)n[n-]1 ZINC000436147046 248226277 /nfs/dbraw/zinc/22/62/77/248226277.db2.gz CHJRXFNQGGQUQX-JTQLQIEISA-N -1 3 275.312 1.587 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H](c2cccnc2)C(C)C)n1 ZINC000436147046 248226280 /nfs/dbraw/zinc/22/62/80/248226280.db2.gz CHJRXFNQGGQUQX-JTQLQIEISA-N -1 3 275.312 1.587 10 0 CDAEHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632074165 376979972 /nfs/dbraw/zinc/97/99/72/376979972.db2.gz VCEHEQAHSMDSDA-QMMMGPOBSA-N -1 3 299.377 1.153 10 0 CDAEHM Cc1nn(C)cc1S(=O)(=O)[N-]CC1(C(F)(F)F)CC1 ZINC000344816474 376947305 /nfs/dbraw/zinc/94/73/05/376947305.db2.gz WCRSTGICYFWZHH-UHFFFAOYSA-N -1 3 297.302 1.349 10 0 CDAEHM CO[C@@H](C[N-]S(=O)(=O)CC1(OC)CCC1)C(C)(C)C ZINC000632056160 376958104 /nfs/dbraw/zinc/95/81/04/376958104.db2.gz SHKACANWDJBTMP-NSHDSACASA-N -1 3 293.429 1.536 10 0 CDAEHM CO[C@H](C[N-]S(=O)(=O)CC1(OC)CCCC1)C1CC1 ZINC000632372374 377355252 /nfs/dbraw/zinc/35/52/52/377355252.db2.gz LYYMTHVJSDLWJD-GFCCVEGCSA-N -1 3 291.413 1.290 10 0 CDAEHM CC(C)(F)C[N-]S(=O)(=O)c1ccc(N)cc1F ZINC000632608634 377667376 /nfs/dbraw/zinc/66/73/76/377667376.db2.gz YUXXKKTYHFWDAY-UHFFFAOYSA-N -1 3 264.297 1.434 10 0 CDAEHM C[C@H]1CCCCCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC000572071471 377689590 /nfs/dbraw/zinc/68/95/90/377689590.db2.gz PWLWEYOHWLEOQF-NSHDSACASA-N -1 3 260.341 1.787 10 0 CDAEHM COc1cccc(C(=O)N[C@H](C)CSC)c1[O-] ZINC000131879638 377719247 /nfs/dbraw/zinc/71/92/47/377719247.db2.gz PWDDKECHHYVWAG-MRVPVSSYSA-N -1 3 255.339 1.882 10 0 CDAEHM CC1([N-]S(=O)(=O)C[C@@H]2CCCC2(F)F)COC1 ZINC000632664637 377720241 /nfs/dbraw/zinc/72/02/41/377720241.db2.gz LPCLWQUGEXSROX-QMMMGPOBSA-N -1 3 269.313 1.130 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1C[C@H](C)O[C@H]1C ZINC000632648645 377706886 /nfs/dbraw/zinc/70/68/86/377706886.db2.gz SEIDBWGWBUHWFB-KADJCCMJSA-N -1 3 274.342 1.136 10 0 CDAEHM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1cscn1 ZINC000572152037 377741296 /nfs/dbraw/zinc/74/12/96/377741296.db2.gz LTMOWKUTIORXFQ-UHFFFAOYSA-N -1 3 286.382 1.086 10 0 CDAEHM Cn1cnc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@H]2CCCO2)c1 ZINC000632701620 377762229 /nfs/dbraw/zinc/76/22/29/377762229.db2.gz MUHCZUOHLVWYLQ-YPMHNXCESA-N -1 3 299.396 1.046 10 0 CDAEHM Cc1cc(CS(=O)(=O)[N-][C@@H]2CCCn3nccc32)on1 ZINC000632809034 377882018 /nfs/dbraw/zinc/88/20/18/377882018.db2.gz SEFHXIMEUHZRJT-LLVKDONJSA-N -1 3 296.352 1.134 10 0 CDAEHM O=S(=O)([N-][C@H](CF)c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000632770949 377844243 /nfs/dbraw/zinc/84/42/43/377844243.db2.gz FDNQKRBITCRZLV-VXGBXAGGSA-N -1 3 291.319 1.545 10 0 CDAEHM Cc1ccc(CCC(=O)NCc2cc(=O)[n-]c(=O)[nH]2)s1 ZINC000633522311 378515328 /nfs/dbraw/zinc/51/53/28/378515328.db2.gz ZOQHSTXUKRHAIZ-UHFFFAOYSA-N -1 3 293.348 1.507 10 0 CDAEHM CCc1ccc(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c([O-])c1 ZINC000189905321 378616930 /nfs/dbraw/zinc/61/69/30/378616930.db2.gz POYCAXDEVDISGG-JQWIXIFHSA-N -1 3 290.363 1.681 10 0 CDAEHM Cc1ccc([O-])c(CNC[C@@](C)(O)c2ccco2)n1 ZINC000266159525 190235870 /nfs/dbraw/zinc/23/58/70/190235870.db2.gz NCMYGCIASVBWJN-CQSZACIVSA-N -1 3 262.309 1.686 10 0 CDAEHM COc1nnc([N-]C(=O)c2nn3c(c2C)OCCC3)s1 ZINC000633909839 378863101 /nfs/dbraw/zinc/86/31/01/378863101.db2.gz SLMFKBLYBUFPGY-UHFFFAOYSA-N -1 3 295.324 1.086 10 0 CDAEHM CN1CCC[C@H](N2CCC(CCC(=O)[O-])CC2)C1=O ZINC000662216404 412937783 /nfs/dbraw/zinc/93/77/83/412937783.db2.gz LSIOLJYUPZDPQW-LBPRGKRZSA-N -1 3 268.357 1.184 10 0 CDAEHM CC[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000449813682 251033765 /nfs/dbraw/zinc/03/37/65/251033765.db2.gz YRABSXFRQCTUST-ZWNOBZJWSA-N -1 3 276.336 1.284 10 0 CDAEHM CC(C)C[C@]1(C)CCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000452510434 252082787 /nfs/dbraw/zinc/08/27/87/252082787.db2.gz MUENAMQROUAVHD-HZMBPMFUSA-N -1 3 281.356 1.012 10 0 CDAEHM COc1ccccc1C[C@@H](C)N[C@H](C)c1nnn[n-]1 ZINC000044926123 184561530 /nfs/dbraw/zinc/56/15/30/184561530.db2.gz YGSMZPMZMNDFBC-NXEZZACHSA-N -1 3 261.329 1.490 10 0 CDAEHM CN(C)[C@@H](CC(=O)[O-])c1ccc2c(c1)OCCCO2 ZINC000080710355 177695434 /nfs/dbraw/zinc/69/54/34/177695434.db2.gz GAEOZKVBCPUCJN-NSHDSACASA-N -1 3 265.309 1.925 10 0 CDAEHM O=C(NC[C@H](O)C1CC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646916289 390287491 /nfs/dbraw/zinc/28/74/91/390287491.db2.gz FHWLUGDAIAOQDZ-NSHDSACASA-N -1 3 289.253 1.912 10 0 CDAEHM Cn1cnc(CCCNCc2cccc([O-])c2Cl)n1 ZINC000647231548 390453446 /nfs/dbraw/zinc/45/34/46/390453446.db2.gz APNXPZFLUIXHRQ-UHFFFAOYSA-N -1 3 280.759 1.897 10 0 CDAEHM COC[C@@]1(C(=O)Nc2ccc(C)cc2[O-])CCOC1 ZINC000449086867 390476747 /nfs/dbraw/zinc/47/67/47/390476747.db2.gz DKLUZXWTKPRLFK-AWEZNQCLSA-N -1 3 265.309 1.692 10 0 CDAEHM C[C@H]1C[C@H]1COC(=O)c1n[n-]c2ccccc2c1=O ZINC000076017239 390946112 /nfs/dbraw/zinc/94/61/12/390946112.db2.gz NWYDZFNPSSMMEE-IUCAKERBSA-N -1 3 258.277 1.736 10 0 CDAEHM C[C@]1(C(=O)[N-]c2nnc3[nH]cnn23)CCCc2ccccc21 ZINC000647738392 391032282 /nfs/dbraw/zinc/03/22/82/391032282.db2.gz OJXJGMDKEAPUEI-HNNXBMFYSA-N -1 3 296.334 1.685 10 0 CDAEHM C[C@H]1CCN(Cc2cnc3ccccn23)C[C@@H]1C(=O)[O-] ZINC000647460756 390963873 /nfs/dbraw/zinc/96/38/73/390963873.db2.gz SIHCCBWYIRIYJL-AAEUAGOBSA-N -1 3 273.336 1.877 10 0 CDAEHM O=C(NCCCCn1ccnc1)NCc1ncccc1[O-] ZINC000527217986 391007193 /nfs/dbraw/zinc/00/71/93/391007193.db2.gz FXZGWSXOGCYKIE-UHFFFAOYSA-N -1 3 289.339 1.263 10 0 CDAEHM COc1cccc(C(=O)NCc2cc(C(N)=O)co2)c1[O-] ZINC000187875467 391072117 /nfs/dbraw/zinc/07/21/17/391072117.db2.gz ZSLFUJOUYOXDRT-UHFFFAOYSA-N -1 3 290.275 1.023 10 0 CDAEHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccncc2[O-])c1 ZINC000345383582 391167738 /nfs/dbraw/zinc/16/77/38/391167738.db2.gz VWHIQFHKDBUQJO-OLZOCXBDSA-N -1 3 284.315 1.960 10 0 CDAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccccn1 ZINC000526960275 391236472 /nfs/dbraw/zinc/23/64/72/391236472.db2.gz UCKJVEVDCOCWAY-LLVKDONJSA-N -1 3 258.281 1.330 10 0 CDAEHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCCNC1=O ZINC000345561043 391251342 /nfs/dbraw/zinc/25/13/42/391251342.db2.gz GBUCPVDAKJLWJP-LBPRGKRZSA-N -1 3 294.326 1.249 10 0 CDAEHM CCc1cccc(C(=O)NCc2cnn(CC)n2)c1[O-] ZINC000529588688 391360499 /nfs/dbraw/zinc/36/04/99/391360499.db2.gz RPKGJQOIYWRVGQ-UHFFFAOYSA-N -1 3 274.324 1.496 10 0 CDAEHM CCCC(C)(C)CC(=O)Nc1[n-]nnc1C(N)=O ZINC000410863909 391360660 /nfs/dbraw/zinc/36/06/60/391360660.db2.gz ZJUNABNNWAVNBG-UHFFFAOYSA-N -1 3 253.306 1.059 10 0 CDAEHM CCCC(C)(C)CC(=O)Nc1nn[n-]c1C(N)=O ZINC000410863909 391360665 /nfs/dbraw/zinc/36/06/65/391360665.db2.gz ZJUNABNNWAVNBG-UHFFFAOYSA-N -1 3 253.306 1.059 10 0 CDAEHM CCCC(C)(C)CC(=O)Nc1n[n-]nc1C(N)=O ZINC000410863909 391360669 /nfs/dbraw/zinc/36/06/69/391360669.db2.gz ZJUNABNNWAVNBG-UHFFFAOYSA-N -1 3 253.306 1.059 10 0 CDAEHM CC[C@H](C(=O)[O-])N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000648401254 391628027 /nfs/dbraw/zinc/62/80/27/391628027.db2.gz OXCNGFUQJOMWQS-LLVKDONJSA-N -1 3 270.373 1.430 10 0 CDAEHM CC1(C)CC[C@H](CNC(=O)c2ccc(O)cc2[O-])O1 ZINC000189598013 391568592 /nfs/dbraw/zinc/56/85/92/391568592.db2.gz WJALCSNYNRTSDH-SNVBAGLBSA-N -1 3 265.309 1.785 10 0 CDAEHM FC(F)(F)[C@H](CN=c1ncnc2[nH][n-]cc1-2)n1cccn1 ZINC000528076794 391587453 /nfs/dbraw/zinc/58/74/53/391587453.db2.gz DNIIODBZICTUPE-QMMMGPOBSA-N -1 3 297.244 1.138 10 0 CDAEHM O=C([O-])[C@@]1(NCc2cc(Cl)cs2)CCOC1 ZINC000417563267 391662059 /nfs/dbraw/zinc/66/20/59/391662059.db2.gz HBOOUGUMDNTYCN-SNVBAGLBSA-N -1 3 261.730 1.735 10 0 CDAEHM Cc1ccc(CN[C@]2(C(=O)[O-])CCOC2)cc1Cl ZINC000417572686 391676222 /nfs/dbraw/zinc/67/62/22/391676222.db2.gz VXPBJFGCGJIXTG-CYBMUJFWSA-N -1 3 269.728 1.982 10 0 CDAEHM CC(C)C[C@@H](C)C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000519646148 391680444 /nfs/dbraw/zinc/68/04/44/391680444.db2.gz UJEKKFIUJRCXFR-GHMZBOCLSA-N -1 3 279.388 1.573 10 0 CDAEHM CC[C@@H]1CC[C@@H](C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)O1 ZINC000525967132 391894294 /nfs/dbraw/zinc/89/42/94/391894294.db2.gz RJTPJEOAOKKLBO-USWWRNFRSA-N -1 3 279.340 1.579 10 0 CDAEHM C[C@H](NC(=O)c1c[n-]nn1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000438393873 391921902 /nfs/dbraw/zinc/92/19/02/391921902.db2.gz 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O=S(=O)([N-][C@H]1Cc2ccccc2[C@@H]1O)c1cccs1 ZINC000178713849 148080064 /nfs/dbraw/zinc/08/00/64/148080064.db2.gz KRQWQMGXSLNMCC-AAEUAGOBSA-N -1 3 295.385 1.685 10 0 CDAEHM COc1nnc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)[n-]1 ZINC000179361946 148109759 /nfs/dbraw/zinc/10/97/59/148109759.db2.gz CRSUBULINDBKMY-CBAPKCEASA-N -1 3 294.261 1.834 10 0 CDAEHM COc1nc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)n[n-]1 ZINC000179361946 148109762 /nfs/dbraw/zinc/10/97/62/148109762.db2.gz CRSUBULINDBKMY-CBAPKCEASA-N -1 3 294.261 1.834 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)n1 ZINC000179361946 148109765 /nfs/dbraw/zinc/10/97/65/148109765.db2.gz CRSUBULINDBKMY-CBAPKCEASA-N -1 3 294.261 1.834 10 0 CDAEHM CCc1nn(C)cc1C(=O)NCc1ncccc1[O-] ZINC000352508890 155237866 /nfs/dbraw/zinc/23/78/66/155237866.db2.gz NXCGCXDLPURNRG-UHFFFAOYSA-N -1 3 260.297 1.013 10 0 CDAEHM Cc1cc(C(=O)NCc2ncccc2[O-])nc(C)n1 ZINC000352511811 155238859 /nfs/dbraw/zinc/23/88/59/155238859.db2.gz ZRYAGSBWJFXDHW-UHFFFAOYSA-N -1 3 258.281 1.124 10 0 CDAEHM Cc1noc(Cl)c1CC(=O)NCc1ncccc1[O-] ZINC000352514593 155241213 /nfs/dbraw/zinc/24/12/13/155241213.db2.gz BMVQWLSEELPPOY-UHFFFAOYSA-N -1 3 281.699 1.596 10 0 CDAEHM CC(=O)c1cccc(C(=O)NCc2ncccc2[O-])c1 ZINC000352514975 155241323 /nfs/dbraw/zinc/24/13/23/155241323.db2.gz DIVFJAUFLATISE-UHFFFAOYSA-N -1 3 270.288 1.920 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1c[nH]nc1-c1ccoc1 ZINC000352516317 155243029 /nfs/dbraw/zinc/24/30/29/155243029.db2.gz LDWUVDVMRVIQDS-UHFFFAOYSA-N -1 3 284.275 1.700 10 0 CDAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccoc3)cn21 ZINC000334921691 150081868 /nfs/dbraw/zinc/08/18/68/150081868.db2.gz OAKBBIDQRXTILK-JTQLQIEISA-N -1 3 295.364 1.852 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N2CCNC[C@@](C)(F)C2)c1 ZINC000335009182 150180215 /nfs/dbraw/zinc/18/02/15/150180215.db2.gz IJNFHHFMCLIGPW-OAHLLOKOSA-N -1 3 280.343 1.728 10 0 CDAEHM CCN1CCC[C@H](NC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000335015891 150189811 /nfs/dbraw/zinc/18/98/11/150189811.db2.gz HUYMDQYTEWQTOL-VIFPVBQESA-N -1 3 284.306 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CCc1cc(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)ccc1[O-] ZINC000362821242 159245571 /nfs/dbraw/zinc/24/55/71/159245571.db2.gz WMOBMQWXHQZUSZ-AAEUAGOBSA-N -1 3 290.363 1.729 10 0 CDAEHM CCc1cc(C(=O)NCC[C@@H](C)[S@@](C)=O)ccc1[O-] ZINC000362927955 159270705 /nfs/dbraw/zinc/27/07/05/159270705.db2.gz NKXZKOPJZRGMHF-GIGQVBGESA-N -1 3 283.393 1.842 10 0 CDAEHM O=C(/C=C/c1cncc([O-])c1)N1CC([C@@H]2CCOC2)C1 ZINC000366837659 159397081 /nfs/dbraw/zinc/39/70/81/159397081.db2.gz AHHAXZGMWJZHAI-YYRQZUAOSA-N -1 3 274.320 1.295 10 0 CDAEHM CCOC([O-])=NC(=O)COc1ccc(C(=O)OC)cc1 ZINC000006405205 170199024 /nfs/dbraw/zinc/19/90/24/170199024.db2.gz MIQGCFOCFBBWJG-UHFFFAOYSA-N -1 3 281.264 1.125 10 0 CDAEHM CCOC(=O)[N-]C(=O)COc1ccc(C(=O)OC)cc1 ZINC000006405205 170199025 /nfs/dbraw/zinc/19/90/25/170199025.db2.gz MIQGCFOCFBBWJG-UHFFFAOYSA-N -1 3 281.264 1.125 10 0 CDAEHM CCOC(=O)[C@H]1C([O-])=CC(=O)C[C@H]1c1ccco1 ZINC000008228113 170325865 /nfs/dbraw/zinc/32/58/65/170325865.db2.gz YNLQURMLYFGCDV-JOYOIKCWSA-N -1 3 250.250 1.475 10 0 CDAEHM CCOC(=O)[C@H]1C(=O)C=C([O-])C[C@H]1c1ccco1 ZINC000008228113 170325866 /nfs/dbraw/zinc/32/58/66/170325866.db2.gz YNLQURMLYFGCDV-JOYOIKCWSA-N -1 3 250.250 1.475 10 0 CDAEHM C[C@@H]1CCCCCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000334445050 287251094 /nfs/dbraw/zinc/25/10/94/287251094.db2.gz FUKFSHODNLXEHK-SNVBAGLBSA-N -1 3 286.331 1.975 10 0 CDAEHM COc1cc(OC)c([C@H](N)CCC(=O)[O-])c(OC)c1 ZINC000020217182 171080177 /nfs/dbraw/zinc/08/01/77/171080177.db2.gz CLEJGDKHMVUAIX-SECBINFHSA-N -1 3 269.297 1.577 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CCOC[C@H]1CC1CCC1 ZINC000655404384 412179830 /nfs/dbraw/zinc/17/98/30/412179830.db2.gz TWYFWUUEPUYIGX-CQSZACIVSA-N -1 3 290.363 1.747 10 0 CDAEHM O=C([O-])COCCN1CCC(c2ccco2)CC1 ZINC000656756889 413637883 /nfs/dbraw/zinc/63/78/83/413637883.db2.gz ITVZJNXEUPRZCS-UHFFFAOYSA-N -1 3 253.298 1.560 10 0 CDAEHM CCC[C@@]1([N-]S(=O)(=O)c2ccco2)CCOC1 ZINC000285450566 196288281 /nfs/dbraw/zinc/28/82/81/196288281.db2.gz YKERFBNEFDMKNS-LLVKDONJSA-N 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C[C@H]1C[C@@H]1C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000681096044 482700880 /nfs/dbraw/zinc/70/08/80/482700880.db2.gz IVSHPQFMVFTVQR-CYBUAMNDSA-N -1 3 287.319 1.336 10 0 CDAEHM CN(C)c1nc(C(=O)N[C@H]2CCCC2(F)F)cc(=O)[n-]1 ZINC000673379019 482728735 /nfs/dbraw/zinc/72/87/35/482728735.db2.gz BYFGQKUGDIDAED-QMMMGPOBSA-N -1 3 286.282 1.166 10 0 CDAEHM CC1(C)CCCN[C@H]1C(=O)NCC1(C(=O)[O-])CCC1 ZINC000232929620 482883187 /nfs/dbraw/zinc/88/31/87/482883187.db2.gz MLHUDWAHHKWUQE-JTQLQIEISA-N -1 3 268.357 1.136 10 0 CDAEHM O=C([O-])[C@H]1CN(C[C@H]2CCOC2)Cc2ccccc21 ZINC000250538536 483019914 /nfs/dbraw/zinc/01/99/14/483019914.db2.gz SXMSYXOYMXRBFX-RISCZKNCSA-N -1 3 261.321 1.707 10 0 CDAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]Cc1ccc(Cl)o1 ZINC000682368023 483206508 /nfs/dbraw/zinc/20/65/08/483206508.db2.gz ALHXKQVALSPJJE-IONNQARKSA-N -1 3 279.745 1.530 10 0 CDAEHM CC(C)C[C@H](CN(C)C)NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000163960090 483238533 /nfs/dbraw/zinc/23/85/33/483238533.db2.gz 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/nfs/dbraw/zinc/59/71/05/483597105.db2.gz LPUILGKGNGYUGI-UHFFFAOYSA-N -1 3 276.340 1.583 10 0 CDAEHM CC(C)C[C@H](CN(C)C)NC(=O)NC(C)(C)C(=O)[O-] ZINC000049560861 519337715 /nfs/dbraw/zinc/33/77/15/519337715.db2.gz PLNFJJBIRVLFCU-SNVBAGLBSA-N -1 3 273.377 1.125 10 0 CDAEHM CCN1CCC[C@H](Nc2nc(C)ccc2C(=O)[O-])C1 ZINC000054529692 521650157 /nfs/dbraw/zinc/65/01/57/521650157.db2.gz RGQBKLQACXFQQC-NSHDSACASA-N -1 3 263.341 1.984 10 0 CDAEHM CC(C)CN(CC(=O)[O-])C(=O)N[C@@H](C)CN1CCCCC1 ZINC000062744264 519710780 /nfs/dbraw/zinc/71/07/80/519710780.db2.gz RRRVRFOSMKMXJK-ZDUSSCGKSA-N -1 3 299.415 1.613 10 0 CDAEHM CCN(CC)C(=O)[C@@H](C)Oc1ccc2c([O-])coc2c1 ZINC000062805387 520522673 /nfs/dbraw/zinc/52/26/73/520522673.db2.gz FDPJNYIVTVJMKC-SNVBAGLBSA-N -1 3 277.320 1.897 10 0 CDAEHM CCC[C@@H]1CC[C@H](C(=O)[O-])[C@H](N2CCOCC2)C1 ZINC000062750050 520829656 /nfs/dbraw/zinc/82/96/56/520829656.db2.gz AJBUQPFVPFFEAH-FRRDWIJNSA-N -1 3 255.358 1.988 10 0 CDAEHM CCOc1ccc(CN[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000340675215 521010685 /nfs/dbraw/zinc/01/06/85/521010685.db2.gz AJUKLHICFDPPGY-CQSZACIVSA-N -1 3 265.309 1.419 10 0 CDAEHM CCC(CC)(CO)NC(=O)c1cccc(C)c1[O-] ZINC000053071247 521458773 /nfs/dbraw/zinc/45/87/73/521458773.db2.gz CEVZCRBKHWKDOJ-UHFFFAOYSA-N -1 3 251.326 1.982 10 0 CDAEHM CN(C)C[C@@H]1CCCN1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000061653858 521833139 /nfs/dbraw/zinc/83/31/39/521833139.db2.gz QXNNLOWGUQCNAB-RYUDHWBXSA-N -1 3 283.372 1.072 10 0 CDAEHM COC(=O)c1ccc(C(=O)Nc2ncc(C(C)=O)s2)[n-]1 ZINC000340448235 521981144 /nfs/dbraw/zinc/98/11/44/521981144.db2.gz HVALDQGLEWXWBZ-UHFFFAOYSA-N -1 3 293.304 1.713 10 0 CDAEHM CC[C@@H](C)Oc1cccc(NC(=O)c2nnc(N)[n-]2)c1 ZINC000055169750 522272116 /nfs/dbraw/zinc/27/21/16/522272116.db2.gz UPUVBPYSDNFJCK-MRVPVSSYSA-N -1 3 275.312 1.817 10 0 CDAEHM CC[C@@H](C)Oc1cccc(NC(=O)c2nc(N)n[n-]2)c1 ZINC000055169750 522272126 /nfs/dbraw/zinc/27/21/26/522272126.db2.gz UPUVBPYSDNFJCK-MRVPVSSYSA-N -1 3 275.312 1.817 10 0 CDAEHM CC[C@@H](C)Oc1cccc(NC(=O)c2n[n-]c(N)n2)c1 ZINC000055169750 522272136 /nfs/dbraw/zinc/27/21/36/522272136.db2.gz UPUVBPYSDNFJCK-MRVPVSSYSA-N -1 3 275.312 1.817 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(=O)[nH]c1)c1cccs1 ZINC000049533234 522903693 /nfs/dbraw/zinc/90/36/93/522903693.db2.gz OBGJFBBFIYSFGN-SNVBAGLBSA-N -1 3 298.389 1.866 10 0 CDAEHM Cc1ccc(NC(=O)COc2cnn(C)c2)c([O-])c1 ZINC000337240074 525073099 /nfs/dbraw/zinc/07/30/99/525073099.db2.gz GEWRLLOMCNDFGE-UHFFFAOYSA-N -1 3 261.281 1.452 10 0 CDAEHM C[C@@H]1CNC[C@H](C)N1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000069133361 525101024 /nfs/dbraw/zinc/10/10/24/525101024.db2.gz AYCNPAAETKILBV-KNVOCYPGSA-N -1 3 288.269 1.632 10 0 CDAEHM C[C@]1(CNS(=O)(=O)c2ccc([O-])cc2)CCCS1 ZINC000157044064 525268519 /nfs/dbraw/zinc/26/85/19/525268519.db2.gz URYFQGQVDMADEA-GFCCVEGCSA-N -1 3 287.406 1.956 10 0 CDAEHM COc1cccc(C(=O)NC[C@H](C)C(N)=S)c1[O-] ZINC000054153906 525821729 /nfs/dbraw/zinc/82/17/29/525821729.db2.gz HBAMHNJQISTMMR-ZETCQYMHSA-N -1 3 268.338 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CDAEHM Nc1n[n-]c(-c2nc(-c3cc4ccccc4o3)no2)n1 ZINC000062797133 527541079 /nfs/dbraw/zinc/54/10/79/527541079.db2.gz MWCGSRDOYSJVJY-UHFFFAOYSA-N -1 3 268.236 1.850 10 0 CDAEHM Nc1nnc(-c2nc(-c3cc4ccccc4o3)no2)[n-]1 ZINC000062797133 527541083 /nfs/dbraw/zinc/54/10/83/527541083.db2.gz MWCGSRDOYSJVJY-UHFFFAOYSA-N -1 3 268.236 1.850 10 0 CDAEHM Nc1nc(-c2nc(-c3cc4ccccc4o3)no2)n[n-]1 ZINC000062797133 527541085 /nfs/dbraw/zinc/54/10/85/527541085.db2.gz MWCGSRDOYSJVJY-UHFFFAOYSA-N -1 3 268.236 1.850 10 0 CDAEHM CCCn1c(=O)[n-]nc1SCC(=O)Cc1ccccc1 ZINC000061596152 535580244 /nfs/dbraw/zinc/58/02/44/535580244.db2.gz WUKKVALOZHILKT-UHFFFAOYSA-N -1 3 291.376 1.885 10 0 CDAEHM CCN(C(=O)c1ccc(C(C)=O)c([O-])c1)[C@H]1CCOC1 ZINC000412365918 535697475 /nfs/dbraw/zinc/69/74/75/535697475.db2.gz YVTJZZVPRFRCKO-LBPRGKRZSA-N -1 3 277.320 1.846 10 0 CDAEHM CCc1nn(C)cc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000092768276 536186138 /nfs/dbraw/zinc/18/61/38/536186138.db2.gz RITCRRJIHGFAGE-UHFFFAOYSA-N -1 3 299.338 1.358 10 0 CDAEHM CCc1nn(C)cc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000092768276 536186141 /nfs/dbraw/zinc/18/61/41/536186141.db2.gz RITCRRJIHGFAGE-UHFFFAOYSA-N -1 3 299.338 1.358 10 0 CDAEHM COc1cc(C(=O)N[C@H]2CCC[C@@H](CO)C2)ccc1[O-] ZINC000414038182 536520142 /nfs/dbraw/zinc/52/01/42/536520142.db2.gz JBDPBODVSKKRGT-PWSUYJOCSA-N -1 3 279.336 1.682 10 0 CDAEHM CC(C)(C)n1cc([C@@H]2CC[C@H](C(=O)[O-])CN2)cn1 ZINC000757237267 574910979 /nfs/dbraw/zinc/91/09/79/574910979.db2.gz PRXQGWPDRMPFSV-ONGXEEELSA-N -1 3 251.330 1.763 10 0 CDAEHM Cc1nc(C2(NCc3nc(C)cc(=O)[n-]3)CCCC2)no1 ZINC000754800396 575070729 /nfs/dbraw/zinc/07/07/29/575070729.db2.gz XAUHDQFLGSRGOS-UHFFFAOYSA-N -1 3 289.339 1.741 10 0 CDAEHM CCCCCC[C@H](C)NC(=O)CN1CC[C@H](C(=O)[O-])C1 ZINC000769750615 575379936 /nfs/dbraw/zinc/37/99/36/575379936.db2.gz CSBXQSWKVUYDHL-STQMWFEESA-N -1 3 284.400 1.868 10 0 CDAEHM Cc1c[nH]cc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000772480855 575708098 /nfs/dbraw/zinc/70/80/98/575708098.db2.gz ODNDSQFMKCKBSD-UHFFFAOYSA-N -1 3 270.296 1.699 10 0 CDAEHM Cc1c[nH]cc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000772480855 575708101 /nfs/dbraw/zinc/70/81/01/575708101.db2.gz ODNDSQFMKCKBSD-UHFFFAOYSA-N -1 3 270.296 1.699 10 0 CDAEHM COc1cccc(C(=O)Nc2ccnc(CO)c2)c1[O-] ZINC000765298516 576006027 /nfs/dbraw/zinc/00/60/27/576006027.db2.gz MNNDHRXENXOQBP-UHFFFAOYSA-N -1 3 274.276 1.540 10 0 CDAEHM COc1ccc([O-])c(C(=O)Nc2ccnc(CO)c2)c1 ZINC000765307332 576007158 /nfs/dbraw/zinc/00/71/58/576007158.db2.gz YKKKCZKVARBFLK-UHFFFAOYSA-N -1 3 274.276 1.540 10 0 CDAEHM O=C(C[C@H]1C=CS(=O)(=O)C1)[N-]OCc1ccc(F)cc1 ZINC000754722716 576912594 /nfs/dbraw/zinc/91/25/94/576912594.db2.gz COIQAQDISLIPQJ-LLVKDONJSA-N -1 3 299.323 1.322 10 0 CDAEHM COCCO[N-]C(=O)C/C=C\c1ccc(F)cc1 ZINC000748766924 576923187 /nfs/dbraw/zinc/92/31/87/576923187.db2.gz BNFKSTJFGBCCCJ-IHWYPQMZSA-N -1 3 253.273 1.923 10 0 CDAEHM Cc1ccc(C(=O)NCc2cc(=O)c(O)cn2C)c([O-])c1 ZINC000750012006 576971956 /nfs/dbraw/zinc/97/19/56/576971956.db2.gz UBFPSJCOEXVHQW-UHFFFAOYSA-N -1 3 288.303 1.035 10 0 CDAEHM CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)CC(C)C ZINC000751982723 577080121 /nfs/dbraw/zinc/08/01/21/577080121.db2.gz QBVVDFSPTQNPQP-NSHDSACASA-N -1 3 277.386 1.294 10 0 CDAEHM C[C@H](NCc1cnn(C)n1)c1cc([O-])cc(F)c1 ZINC000926418964 617679343 /nfs/dbraw/zinc/67/93/43/617679343.db2.gz MGKIRHQAJCSLSM-QMMMGPOBSA-N -1 3 250.277 1.511 10 0 CDAEHM N#Cc1ccccc1NC(=S)N[N-]C(=O)c1ccccn1 ZINC000044051016 618485521 /nfs/dbraw/zinc/48/55/21/618485521.db2.gz ATTSNJMUXLBPRS-UHFFFAOYSA-N -1 3 297.343 1.585 10 0 CDAEHM O=C(N[C@H](c1ncccn1)C1CC1)c1ccc(O)cc1[O-] ZINC000928578395 619430685 /nfs/dbraw/zinc/43/06/85/619430685.db2.gz KODKBPBHXXCMNN-ZDUSSCGKSA-N -1 3 285.303 1.769 10 0 CDAEHM CCOC(=O)c1nc([C@@H](C)NCc2nccn2CC)n[n-]1 ZINC000895237166 619480861 /nfs/dbraw/zinc/48/08/61/619480861.db2.gz VFRXJHMLTROSEG-SECBINFHSA-N -1 3 292.343 1.049 10 0 CDAEHM CCOC(=O)c1nnc([C@@H](C)NCc2nccn2CC)[n-]1 ZINC000895237166 619480864 /nfs/dbraw/zinc/48/08/64/619480864.db2.gz 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360607539 /nfs/dbraw/zinc/60/75/39/360607539.db2.gz LZBHSCOYRWBYRA-SDDRHHMPSA-N -1 3 271.357 1.761 10 0 CDAEHM C[C@H]1CCN(CCOCC(F)(F)F)C[C@@H]1C(=O)[O-] ZINC000566619322 360747377 /nfs/dbraw/zinc/74/73/77/360747377.db2.gz GPCWNUDODHWECU-IUCAKERBSA-N -1 3 269.263 1.608 10 0 CDAEHM Cc1cnc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c([O-])c1 ZINC000408370209 360736940 /nfs/dbraw/zinc/73/69/40/360736940.db2.gz IJESKYGMSMMHNZ-GHMZBOCLSA-N -1 3 263.341 1.308 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2O)o1 ZINC000335745287 360888681 /nfs/dbraw/zinc/88/86/81/360888681.db2.gz LBPMFYKLMPYRPF-UWVGGRQHSA-N -1 3 259.327 1.170 10 0 CDAEHM COc1nnc(NC(=O)[C@H]2CCc3ccc(OC)cc32)[n-]1 ZINC000277914387 366687753 /nfs/dbraw/zinc/68/77/53/366687753.db2.gz ISXXFSSYVASWTC-JTQLQIEISA-N -1 3 288.307 1.490 10 0 CDAEHM COc1nc(NC(=O)[C@H]2CCc3ccc(OC)cc32)n[n-]1 ZINC000277914387 366687754 /nfs/dbraw/zinc/68/77/54/366687754.db2.gz ISXXFSSYVASWTC-JTQLQIEISA-N -1 3 288.307 1.490 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H]2CCc3ccc(OC)cc32)n1 ZINC000277914387 366687755 /nfs/dbraw/zinc/68/77/55/366687755.db2.gz ISXXFSSYVASWTC-JTQLQIEISA-N -1 3 288.307 1.490 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-]CC[C@@H](C)F)nc1C ZINC000339031102 361224713 /nfs/dbraw/zinc/22/47/13/361224713.db2.gz BXQNWQZUVFPNDJ-MRVPVSSYSA-N -1 3 263.338 1.238 10 0 CDAEHM CCc1cc(C(=O)NC[C@@H]2COCCN2C)ccc1[O-] ZINC000628915499 361296282 /nfs/dbraw/zinc/29/62/82/361296282.db2.gz WYWHACXFPLYHIA-CYBMUJFWSA-N -1 3 278.352 1.015 10 0 CDAEHM Cc1ncsc1C[N-]c1nc(-c2nccn2C)no1 ZINC000181534788 189299647 /nfs/dbraw/zinc/29/96/47/189299647.db2.gz NRNIGTVQQBNTEJ-UHFFFAOYSA-N -1 3 276.325 1.847 10 0 CDAEHM COCc1n[n-]c(=NCCN2CCC[C@@H](C)C2)s1 ZINC000357053364 366723638 /nfs/dbraw/zinc/72/36/38/366723638.db2.gz KSKZFLHJWNJHCU-SNVBAGLBSA-N -1 3 270.402 1.250 10 0 CDAEHM COc1cccc(C(=O)N2CCO[C@@H](CCF)C2)c1[O-] ZINC000629025456 361423955 /nfs/dbraw/zinc/42/39/55/361423955.db2.gz YRTLTWDYUPUKQF-JTQLQIEISA-N -1 3 283.299 1.601 10 0 CDAEHM COC[C@@H](O)CCNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183604616 189363729 /nfs/dbraw/zinc/36/37/29/189363729.db2.gz XLBVCPOIMCQQHU-LBPRGKRZSA-N -1 3 293.363 1.398 10 0 CDAEHM O=C(NCC[C@@H](O)C(F)(F)F)c1ccccc1[O-] ZINC000436496259 361523344 /nfs/dbraw/zinc/52/33/44/361523344.db2.gz PEFYGWHJLNDFBU-SECBINFHSA-N -1 3 263.215 1.435 10 0 CDAEHM Cc1cccc(C(=O)NC[C@H](CO)c2cccnc2)c1[O-] ZINC000436735765 361566866 /nfs/dbraw/zinc/56/68/66/361566866.db2.gz DKHPYPOZUIDZAT-CYBMUJFWSA-N -1 3 286.331 1.602 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1[O-] ZINC000436846194 361590342 /nfs/dbraw/zinc/59/03/42/361590342.db2.gz GKADPLJMYGXDSH-NXEZZACHSA-N -1 3 277.320 1.844 10 0 CDAEHM O=C(N[C@H]1CO[C@H](C2CC2)C1)c1cc(F)cc2nn[n-]c21 ZINC000629145543 361629530 /nfs/dbraw/zinc/62/95/30/361629530.db2.gz PBJMVRTXNMYHSS-SKDRFNHKSA-N -1 3 290.298 1.394 10 0 CDAEHM O=C(N[C@H]1CO[C@H](C2CC2)C1)c1cc(F)cc2[n-]nnc21 ZINC000629145543 361629535 /nfs/dbraw/zinc/62/95/35/361629535.db2.gz PBJMVRTXNMYHSS-SKDRFNHKSA-N -1 3 290.298 1.394 10 0 CDAEHM O=C(N[C@H]1CO[C@H](C2CC2)C1)c1cc(F)cc2n[n-]nc21 ZINC000629145543 361629539 /nfs/dbraw/zinc/62/95/39/361629539.db2.gz PBJMVRTXNMYHSS-SKDRFNHKSA-N -1 3 290.298 1.394 10 0 CDAEHM Cc1cc(C(=O)NC[C@H](C)N2CCCCC2=O)ccc1[O-] ZINC000436994927 361633373 /nfs/dbraw/zinc/63/33/73/361633373.db2.gz PBWZSLYLTMVWJJ-LBPRGKRZSA-N -1 3 290.363 1.831 10 0 CDAEHM COc1cc(C(=O)NC[C@@H]2C[C@@H]2C)cc(OC)c1[O-] ZINC000269892809 364371575 /nfs/dbraw/zinc/37/15/75/364371575.db2.gz BWGWMAIHAKTKBA-WPRPVWTQSA-N -1 3 265.309 1.795 10 0 CDAEHM CCc1ccc([O-])c(C(=O)NC2CN(c3ccncn3)C2)c1 ZINC000634453189 364557071 /nfs/dbraw/zinc/55/70/71/364557071.db2.gz XPJBICROSXGWTM-UHFFFAOYSA-N -1 3 298.346 1.363 10 0 CDAEHM C[C@H](CN(C)c1ncnc2c(F)cccc21)c1nnn[n-]1 ZINC000302816988 364573793 /nfs/dbraw/zinc/57/37/93/364573793.db2.gz BWROSFVRMQCMIG-MRVPVSSYSA-N -1 3 287.302 1.522 10 0 CDAEHM C[C@H](CN(C)c1ncnc2c(F)cccc21)c1nn[n-]n1 ZINC000302816988 364573798 /nfs/dbraw/zinc/57/37/98/364573798.db2.gz BWROSFVRMQCMIG-MRVPVSSYSA-N -1 3 287.302 1.522 10 0 CDAEHM CC[C@H](OC)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352986954 364697119 /nfs/dbraw/zinc/69/71/19/364697119.db2.gz JSPFPMMUTDRERG-UWVGGRQHSA-N -1 3 253.302 1.047 10 0 CDAEHM CCCCO[C@H](C)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352992960 364699763 /nfs/dbraw/zinc/69/97/63/364699763.db2.gz QSTLHPPSJHXOFR-ZYHUDNBSSA-N -1 3 281.356 1.827 10 0 CDAEHM Cc1nn(CC(=O)Nc2cc(Cl)cc(C)c2[O-])c(=O)o1 ZINC000639769322 365078620 /nfs/dbraw/zinc/07/86/20/365078620.db2.gz HAUPOJRZOKKSTM-UHFFFAOYSA-N -1 3 297.698 1.451 10 0 CDAEHM CCS(=O)(=O)[N-]Cc1nc([C@H](C)C2CC2)no1 ZINC000357602020 367091798 /nfs/dbraw/zinc/09/17/98/367091798.db2.gz FHUHLJVAPIMYDD-SSDOTTSWSA-N -1 3 259.331 1.022 10 0 CDAEHM NC(=O)CO[N-]C(=O)/C=C\c1ccc(Cl)c(Cl)c1 ZINC000222185129 367286315 /nfs/dbraw/zinc/28/63/15/367286315.db2.gz OAKIHXJUUIPXBF-RQOWECAXSA-N -1 3 289.118 1.540 10 0 CDAEHM CC(C)c1nn(C)cc1NC([O-])=NOC[C@H]1CCOC1 ZINC000280773279 367526519 /nfs/dbraw/zinc/52/65/19/367526519.db2.gz OQIZROMTGADQPB-JTQLQIEISA-N -1 3 282.344 1.633 10 0 CDAEHM CC(C)c1nn(C)cc1NC(=O)[N-]OC[C@H]1CCOC1 ZINC000280773279 367526527 /nfs/dbraw/zinc/52/65/27/367526527.db2.gz OQIZROMTGADQPB-JTQLQIEISA-N -1 3 282.344 1.633 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H](C)O[C@@H]2C)o1 ZINC000416587606 242063030 /nfs/dbraw/zinc/06/30/30/242063030.db2.gz AFOGATWGNKHKAD-AXFHLTTASA-N -1 3 273.354 1.680 10 0 CDAEHM Oc1[n-]c(N2CCC=C(Br)C2)nc2nncc1-2 ZINC000281624095 367664622 /nfs/dbraw/zinc/66/46/22/367664622.db2.gz KQRLYBFGTGOFBA-UHFFFAOYSA-N -1 3 296.128 1.547 10 0 CDAEHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)o2)n[nH]1 ZINC000358604283 367810227 /nfs/dbraw/zinc/81/02/27/367810227.db2.gz VONCFEVDSLMHMS-MRVPVSSYSA-N -1 3 284.341 1.308 10 0 CDAEHM CCCc1nc(=NC[C@H](O)CN2CCCCC2)s[n-]1 ZINC000359907541 368010383 /nfs/dbraw/zinc/01/03/83/368010383.db2.gz WRNKYMJROHBKOX-NSHDSACASA-N -1 3 284.429 1.171 10 0 CDAEHM CCc1cccc(C(=O)N(C)CCCCO)c1[O-] ZINC000530415667 368190679 /nfs/dbraw/zinc/19/06/79/368190679.db2.gz BUAPGJNYJPPUSR-UHFFFAOYSA-N -1 3 251.326 1.799 10 0 CDAEHM COC[C@@H](C)[C@@H](C)C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000360144364 368141496 /nfs/dbraw/zinc/14/14/96/368141496.db2.gz VHRXMAIQRHBEQH-GHMZBOCLSA-N -1 3 288.351 1.751 10 0 CDAEHM COc1ccc(C(=O)N2CCn3ccnc3C2)c([O-])c1 ZINC000062320397 368196535 /nfs/dbraw/zinc/19/65/35/368196535.db2.gz IFTIZYBSGHMRJM-UHFFFAOYSA-N -1 3 273.292 1.253 10 0 CDAEHM CC(C)n1cc(S(=O)(=O)[N-]CCCCF)cn1 ZINC000360260167 368198430 /nfs/dbraw/zinc/19/84/30/368198430.db2.gz CVDXDXYBFREMAR-UHFFFAOYSA-N -1 3 263.338 1.492 10 0 CDAEHM CC(C)N1C[C@H](NC(=O)c2ccc(F)cc2[O-])[C@@H](C)C1 ZINC000124100429 368208347 /nfs/dbraw/zinc/20/83/47/368208347.db2.gz NNDFUKHLQWMAQG-GWCFXTLKSA-N -1 3 280.343 1.990 10 0 CDAEHM CCCN(C)S(=O)(=O)[N-]c1cnc(C(C)(C)C)nc1 ZINC000360622884 368397333 /nfs/dbraw/zinc/39/73/33/368397333.db2.gz ZRJNKOWHOGWLDK-UHFFFAOYSA-N -1 3 286.401 1.773 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2ncoc2C)o1 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284.315 1.682 10 0 CDAEHM C[C@@H](CNC(=O)c1cccc([O-])c1)Cn1cccn1 ZINC000182062033 148238525 /nfs/dbraw/zinc/23/85/25/148238525.db2.gz KBDHSEVRDWGLOJ-NSHDSACASA-N -1 3 259.309 1.655 10 0 CDAEHM CC(=O)c1cc(C(=O)NCc2ncccc2[O-])c(C)nc1C ZINC000352515399 155241269 /nfs/dbraw/zinc/24/12/69/155241269.db2.gz GRJUAXLYTMGWSY-UHFFFAOYSA-N -1 3 299.330 1.932 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1ccnc(-n2cccn2)c1 ZINC000352517335 155243469 /nfs/dbraw/zinc/24/34/69/155243469.db2.gz PGNKPRYVCZDZGD-UHFFFAOYSA-N -1 3 295.302 1.298 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1cccc(-n2ccnn2)c1 ZINC000352517824 155244855 /nfs/dbraw/zinc/24/48/55/155244855.db2.gz SOTOCQWSVPMQDE-UHFFFAOYSA-N -1 3 295.302 1.298 10 0 CDAEHM O=C(Cc1c[nH]c2ncccc12)NCc1ncccc1[O-] ZINC000352518219 155245100 /nfs/dbraw/zinc/24/51/00/155245100.db2.gz VTRNNWLAMNJFQP-UHFFFAOYSA-N -1 3 282.303 1.522 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](CO)C2)o1 ZINC000334886052 150034014 /nfs/dbraw/zinc/03/40/14/150034014.db2.gz FVDWNMVYBHXPMT-WDEREUQCSA-N 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FAXVRRUKMRWFMV-LBPRGKRZSA-N -1 3 287.385 1.141 10 0 CDAEHM Cn1cc(C[C@H]2CCC[C@@H]2N=c2ncnc3[nH][n-]cc2-3)cn1 ZINC000664443050 413386549 /nfs/dbraw/zinc/38/65/49/413386549.db2.gz APMSOTPHVXWVFT-YPMHNXCESA-N -1 3 297.366 1.283 10 0 CDAEHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)[C@H](F)C(F)(F)F ZINC000370605980 159929810 /nfs/dbraw/zinc/92/98/10/159929810.db2.gz GESUNOXFRQEJRQ-VIFPVBQESA-N -1 3 288.204 1.733 10 0 CDAEHM COc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1N ZINC000020554159 171249105 /nfs/dbraw/zinc/24/91/05/171249105.db2.gz BYHPPKPZBCNSQA-UHFFFAOYSA-N -1 3 284.259 1.118 10 0 CDAEHM NNc1ccccc1S(=O)(=O)[N-]c1ccccc1F ZINC000035354537 172145765 /nfs/dbraw/zinc/14/57/65/172145765.db2.gz BIKAEMBCFGGVRK-UHFFFAOYSA-N -1 3 281.312 1.912 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCO[C@]3(CCCOC3)C2)n1 ZINC000285251958 196232893 /nfs/dbraw/zinc/23/28/93/196232893.db2.gz HGNNJAAQTGIACI-OAHLLOKOSA-N -1 3 293.367 1.126 10 0 CDAEHM C[C@@H](CN1CCN(Cc2ccccc2)CC1)C(=O)[O-] ZINC000035759334 172398859 /nfs/dbraw/zinc/39/88/59/172398859.db2.gz RCODSNTVSRHBLQ-ZDUSSCGKSA-N -1 3 262.353 1.525 10 0 CDAEHM COCC1(CNC(=O)NCc2ncccc2[O-])CC1 ZINC000654691972 413599836 /nfs/dbraw/zinc/59/98/36/413599836.db2.gz KKXIWCYNTQCTJU-UHFFFAOYSA-N -1 3 265.313 1.013 10 0 CDAEHM CCOCc1nnc([N-]Cc2cc3n(n2)CCC3)o1 ZINC000656771687 413660882 /nfs/dbraw/zinc/66/08/82/413660882.db2.gz JPNTUWNYHXZSJK-UHFFFAOYSA-N -1 3 263.301 1.361 10 0 CDAEHM CCN1CCCC[C@@H]1CNC(=O)NCC1(C(=O)[O-])CCC1 ZINC000659398506 413784348 /nfs/dbraw/zinc/78/43/48/413784348.db2.gz SUXNLOKTXOTHKG-GFCCVEGCSA-N -1 3 297.399 1.415 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](C)c1ccccn1 ZINC000657041003 413870003 /nfs/dbraw/zinc/87/00/03/413870003.db2.gz YWAAZSPJRIHHPW-SECBINFHSA-N -1 3 295.364 1.768 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)n3ncnc32)c1 ZINC000657068043 413888912 /nfs/dbraw/zinc/88/89/12/413888912.db2.gz ZFMCTMGDJXVMFZ-RKDXNWHRSA-N -1 3 298.393 1.632 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-][C@H]2C[C@@H](C)n3ncnc32)s1 ZINC000657069305 413891306 /nfs/dbraw/zinc/89/13/06/413891306.db2.gz VMTHLAUMFHNIJF-SVRRBLITSA-N -1 3 299.381 1.027 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccco1 ZINC000657150167 413973442 /nfs/dbraw/zinc/97/34/42/413973442.db2.gz RWUBMUVJBPLGJZ-VWYCJHECSA-N -1 3 255.339 1.994 10 0 CDAEHM Cc1ccc(C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)c([O-])c1 ZINC000285672743 196361776 /nfs/dbraw/zinc/36/17/76/196361776.db2.gz BCPHUYYXKLJGDN-BXUZGUMPSA-N -1 3 295.379 1.588 10 0 CDAEHM CCCCC[C@H](C)[N-]S(=O)(=O)c1cn(C)nc1N ZINC000037559616 173270407 /nfs/dbraw/zinc/27/04/07/173270407.db2.gz RBQQCZMZTJWOAY-VIFPVBQESA-N -1 3 274.390 1.249 10 0 CDAEHM COc1cccc(CN(C)[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC000659801076 414133211 /nfs/dbraw/zinc/13/32/11/414133211.db2.gz DTINCOSPLOYQBG-JGZJWPJOSA-N -1 3 250.298 1.385 10 0 CDAEHM CC(=O)c1ccc(C(=O)N[C@@H]2CCc3cncn3C2)cc1[O-] ZINC000665507609 414224220 /nfs/dbraw/zinc/22/42/20/414224220.db2.gz PFWBCVPASFXNHA-GFCCVEGCSA-N -1 3 299.330 1.536 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H]3COC[C@H]3C2)n1 ZINC000662033729 414478503 /nfs/dbraw/zinc/47/85/03/414478503.db2.gz KUSLASVXFQELML-SDDRHHMPSA-N -1 3 263.341 1.520 10 0 CDAEHM CC(C)[C@H]1CCCCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662206670 414563412 /nfs/dbraw/zinc/56/34/12/414563412.db2.gz RYOXZMSDLRJNCD-NEPJUHHUSA-N -1 3 268.357 1.182 10 0 CDAEHM C[C@@H](CN(CC(=O)[O-])CC(C)(C)C)CS(C)(=O)=O ZINC000662221746 414571637 /nfs/dbraw/zinc/57/16/37/414571637.db2.gz DLRUQMUTEWEAQC-JTQLQIEISA-N -1 3 279.402 1.100 10 0 CDAEHM C[C@H](C(=O)NC1CCCC1)N1CCCC[C@@H]1CC(=O)[O-] ZINC000038028020 174015138 /nfs/dbraw/zinc/01/51/38/174015138.db2.gz JBBSVIXRGCLPIS-DGCLKSJQSA-N -1 3 282.384 1.763 10 0 CDAEHM COC(=O)Cn1cc(NC(=O)c2ccc([O-])cc2)cn1 ZINC000038030257 174021917 /nfs/dbraw/zinc/02/19/17/174021917.db2.gz IXBADQWDCXTFQJ-UHFFFAOYSA-N -1 3 275.264 1.014 10 0 CDAEHM CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000040469945 174278289 /nfs/dbraw/zinc/27/82/89/174278289.db2.gz GLWHXTVBPXRFPH-HQJQHLMTSA-N -1 3 266.297 1.402 10 0 CDAEHM O=C([O-])c1c(F)cccc1NC(=O)[C@H]1CCCCN1 ZINC000040473747 174281874 /nfs/dbraw/zinc/28/18/74/174281874.db2.gz FMKXDGWOSNXSBJ-SNVBAGLBSA-N -1 3 266.272 1.605 10 0 CDAEHM CC(C)[C@H](N)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000040480819 174284863 /nfs/dbraw/zinc/28/48/63/174284863.db2.gz KECIWKRUJMWMCK-LBPRGKRZSA-N -1 3 262.309 1.257 10 0 CDAEHM CNCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000040481162 174285294 /nfs/dbraw/zinc/28/52/94/174285294.db2.gz XVKFATBXEGTRNT-UHFFFAOYSA-N -1 3 277.107 1.850 10 0 CDAEHM C[C@@](NC(=O)C1(N)CCCCC1)(C(=O)[O-])C1CC1 ZINC000040481677 174285931 /nfs/dbraw/zinc/28/59/31/174285931.db2.gz DKNCJAAQKUSIMZ-LBPRGKRZSA-N -1 3 254.330 1.018 10 0 CDAEHM CC[C@H](C)[C@@H](N)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000040483140 174286300 /nfs/dbraw/zinc/28/63/00/174286300.db2.gz YTMZBTFZEUUAJK-GXFFZTMASA-N -1 3 278.352 1.417 10 0 CDAEHM CC[C@@H](C)[C@H](N)C(=O)N(CCC(=O)[O-])c1ccccc1 ZINC000040483886 174287561 /nfs/dbraw/zinc/28/75/61/174287561.db2.gz XWMDSUNEDIUNOG-RISCZKNCSA-N -1 3 278.352 1.868 10 0 CDAEHM CC(C)N(CCC(=O)[O-])C(=O)C1(N)CCCCC1 ZINC000040484330 174288084 /nfs/dbraw/zinc/28/80/84/174288084.db2.gz XGHGHKDMDGXUJZ-UHFFFAOYSA-N -1 3 256.346 1.360 10 0 CDAEHM CC(C)(C)N(CCC(=O)[O-])C(=O)[C@](C)(N)C1CC1 ZINC000040484509 174288218 /nfs/dbraw/zinc/28/82/18/174288218.db2.gz LZVFZQSGUXMWKW-CYBMUJFWSA-N -1 3 256.346 1.216 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000040486753 174289968 /nfs/dbraw/zinc/28/99/68/174289968.db2.gz LXKGOAZMXOWQGC-ZMLRMANQSA-N -1 3 270.373 1.510 10 0 CDAEHM CCN1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCCC1 ZINC000040552838 174329748 /nfs/dbraw/zinc/32/97/48/174329748.db2.gz KYHFUVCAGXTUIX-NSHDSACASA-N -1 3 283.372 1.167 10 0 CDAEHM Nc1c(=O)[n-]cnc1NC12CC3CC(CC(C3)C1)C2 ZINC000040755793 174396018 /nfs/dbraw/zinc/39/60/18/174396018.db2.gz KUDDQSQCAFXLAE-UHFFFAOYSA-N -1 3 260.341 1.733 10 0 CDAEHM CC[C@H](C)[C@@H](N)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000043594664 175075335 /nfs/dbraw/zinc/07/53/35/175075335.db2.gz GECMAUNNBCDDCK-ZLKJLUDKSA-N -1 3 290.363 1.570 10 0 CDAEHM CCNCc1cc2c(cc1O[C@@H](C)C(=O)[O-])OCO2 ZINC000043625593 175081746 /nfs/dbraw/zinc/08/17/46/175081746.db2.gz HXNXCJBIUDDVQG-QMMMGPOBSA-N -1 3 267.281 1.377 10 0 CDAEHM O=C([O-])/C=C/c1ccsc1CN1CCC(O)CC1 ZINC000043685267 175093747 /nfs/dbraw/zinc/09/37/47/175093747.db2.gz AKAFKJQYNISOQP-OWOJBTEDSA-N -1 3 267.350 1.803 10 0 CDAEHM CN1CCC[C@@H](CNC(=O)N(CCC(=O)[O-])C(C)(C)C)C1 ZINC000044560053 175204116 /nfs/dbraw/zinc/20/41/16/175204116.db2.gz LZXDZAXNYABZQN-LBPRGKRZSA-N -1 3 299.415 1.613 10 0 CDAEHM CCC[C@@](C)(NC(=O)NC[C@@H]1CCCCN1C)C(=O)[O-] ZINC000044565659 175208339 /nfs/dbraw/zinc/20/83/39/175208339.db2.gz MYYPKEWCNSLWEB-SMDDNHRTSA-N -1 3 285.388 1.413 10 0 CDAEHM O=C([O-])[C@@H]1c2ccsc2CCN1CCN1CCCC1 ZINC000044592276 175213546 /nfs/dbraw/zinc/21/35/46/175213546.db2.gz PFZNIGFSCJBPPU-ZDUSSCGKSA-N -1 3 280.393 1.828 10 0 CDAEHM COCCCCNS(=O)(=O)c1ccc([O-])cc1 ZINC000044678043 175227880 /nfs/dbraw/zinc/22/78/80/175227880.db2.gz CJSVFYDDIIAKGX-UHFFFAOYSA-N -1 3 259.327 1.097 10 0 CDAEHM Cc1cc(C[N-]S(=O)(=O)c2ccc(N)cc2F)no1 ZINC000044687931 175232785 /nfs/dbraw/zinc/23/27/85/175232785.db2.gz WDQUELBSOUYZLQ-UHFFFAOYSA-N -1 3 285.300 1.183 10 0 CDAEHM C[C@H](CNC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)N(C)C ZINC000045112142 175310747 /nfs/dbraw/zinc/31/07/47/175310747.db2.gz IKBNPAJAOJFZCZ-ZYHUDNBSSA-N -1 3 285.388 1.269 10 0 CDAEHM Cc1cc([N-]C(=O)[C@H](C)N2CCc3c(ncn3C)C2)on1 ZINC000069492999 175834843 /nfs/dbraw/zinc/83/48/43/175834843.db2.gz MDOFWAMYPWWTCF-JTQLQIEISA-N -1 3 289.339 1.102 10 0 CDAEHM N[C@@H](CC(=O)N[C@H]1CCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000070524702 175969467 /nfs/dbraw/zinc/96/94/67/175969467.db2.gz FLAWHFLVVKGFIJ-AVGNSLFASA-N -1 3 276.336 1.446 10 0 CDAEHM O=C([O-])C1CN(CCOc2cccc(Cl)c2)C1 ZINC000071173646 176053611 /nfs/dbraw/zinc/05/36/11/176053611.db2.gz INMZXNCLIGGMPU-UHFFFAOYSA-N -1 3 255.701 1.735 10 0 CDAEHM O=C([O-])Cc1csc(SCCN2CCCC2)n1 ZINC000071300382 176113623 /nfs/dbraw/zinc/11/36/23/176113623.db2.gz FETMKOFRGBOCOY-UHFFFAOYSA-N -1 3 272.395 1.958 10 0 CDAEHM O=C([O-])c1ccc(CNC[C@H](O)c2ccccc2)o1 ZINC000071380644 176144813 /nfs/dbraw/zinc/14/48/13/176144813.db2.gz LVKHNRKVXJSJQN-LBPRGKRZSA-N -1 3 261.277 1.801 10 0 CDAEHM Cn1cc([C@@H]2CCCN2C(=O)c2ccc3n[n-]nc3c2)cn1 ZINC000071796883 176265088 /nfs/dbraw/zinc/26/50/88/176265088.db2.gz ZQCCWBWRTZURDL-AWEZNQCLSA-N -1 3 296.334 1.669 10 0 CDAEHM CC(C)(C)[C@H](O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000077109658 177225446 /nfs/dbraw/zinc/22/54/46/177225446.db2.gz UUUJHIFXBUVUGY-GFCCVEGCSA-N -1 3 289.372 1.901 10 0 CDAEHM CCC[C@@H](CCNC(=O)C(C)(C)N)CCC(=O)[O-] ZINC000079231731 177452033 /nfs/dbraw/zinc/45/20/33/177452033.db2.gz JQKZUQWZKHQANW-SNVBAGLBSA-N -1 3 258.362 1.511 10 0 CDAEHM COc1ccc(C(=O)N[C@H]2COCC2(C)C)c([O-])c1 ZINC000313063379 260243104 /nfs/dbraw/zinc/24/31/04/260243104.db2.gz QDKUGXPOXMVPJG-LBPRGKRZSA-N -1 3 265.309 1.556 10 0 CDAEHM C[C@H]1CCN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@@H]1O ZINC000221895983 262320226 /nfs/dbraw/zinc/32/02/26/262320226.db2.gz NAKQJJWQXCGLEA-HZMBPMFUSA-N -1 3 286.331 1.371 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-]CCC2(CO)CCC2)c1 ZINC000651905959 423884116 /nfs/dbraw/zinc/88/41/16/423884116.db2.gz COXVGWQUZSRYSB-UHFFFAOYSA-N -1 3 289.422 1.888 10 0 CDAEHM COc1ccc(C(=O)NCCC2(CO)CCC2)c([O-])c1 ZINC000652937180 423911688 /nfs/dbraw/zinc/91/16/88/423911688.db2.gz WDTKQSDIVINYSR-UHFFFAOYSA-N -1 3 279.336 1.683 10 0 CDAEHM O=C(c1cccc2[n-]nnc21)N1CC[C@@]2(CC2(F)F)C1 ZINC000653004134 424098081 /nfs/dbraw/zinc/09/80/81/424098081.db2.gz LUBOEDOFNHPJLW-GFCCVEGCSA-N -1 3 278.262 1.829 10 0 CDAEHM O=C(c1cccc2nn[n-]c21)N1CC[C@@]2(CC2(F)F)C1 ZINC000653004134 424098090 /nfs/dbraw/zinc/09/80/90/424098090.db2.gz LUBOEDOFNHPJLW-GFCCVEGCSA-N -1 3 278.262 1.829 10 0 CDAEHM O=C(c1cccc2n[n-]nc21)N1CC[C@@]2(CC2(F)F)C1 ZINC000653004134 424098096 /nfs/dbraw/zinc/09/80/96/424098096.db2.gz LUBOEDOFNHPJLW-GFCCVEGCSA-N -1 3 278.262 1.829 10 0 CDAEHM Cc1ccc(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)c([O-])c1C ZINC000652792611 424195890 /nfs/dbraw/zinc/19/58/90/424195890.db2.gz GGIAQXCQVZDSOM-AOOOYVTPSA-N -1 3 262.309 1.003 10 0 CDAEHM Cn1ccc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCC3)O2)n1 ZINC000655683114 424370709 /nfs/dbraw/zinc/37/07/09/424370709.db2.gz ZFIVHGPINZKKJZ-NSHDSACASA-N -1 3 299.396 1.190 10 0 CDAEHM CCc1ccc(C(=O)N2CCC[C@@H](NC(C)=O)C2)c([O-])c1 ZINC000189908061 270281096 /nfs/dbraw/zinc/28/10/96/270281096.db2.gz VBJFARFSNUDUHT-CYBMUJFWSA-N -1 3 290.363 1.695 10 0 CDAEHM C[C@@H]1CC[C@@H](O)CN1C(=O)c1ccc(O)cc1[O-] ZINC000399229906 270371173 /nfs/dbraw/zinc/37/11/73/270371173.db2.gz JTKXNDLMVMNDDJ-PSASIEDQSA-N -1 3 251.282 1.083 10 0 CDAEHM O=C(NCC1COC1)c1cc2c(cc1[O-])CCCC2 ZINC000530117619 271110313 /nfs/dbraw/zinc/11/03/13/271110313.db2.gz QHYAJKGEQKUKFB-UHFFFAOYSA-N -1 3 261.321 1.647 10 0 CDAEHM CCN=c1[n-]c(C(=O)Nc2cc(C)nn2CC)cs1 ZINC000530130392 271113320 /nfs/dbraw/zinc/11/33/20/271113320.db2.gz RJBOEKCFRYULED-UHFFFAOYSA-N -1 3 279.369 1.774 10 0 CDAEHM CO[C@]1(C(=O)[O-])CCN(Cc2cc(C)ccc2F)C1 ZINC000530169445 271126937 /nfs/dbraw/zinc/12/69/37/271126937.db2.gz HYVGROGNSPTKQQ-CQSZACIVSA-N -1 3 267.300 1.810 10 0 CDAEHM C[C@@H]1CN(c2ccnc3ccccc32)C[C@@H](C(=O)[O-])O1 ZINC000530175809 271130569 /nfs/dbraw/zinc/13/05/69/271130569.db2.gz CLRLZRAUIBGIMB-YGRLFVJLSA-N -1 3 272.304 1.913 10 0 CDAEHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000354723155 287832541 /nfs/dbraw/zinc/83/25/41/287832541.db2.gz XJMFPLTVEWKMCP-MRVPVSSYSA-N -1 3 299.318 1.912 10 0 CDAEHM Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc2n[n-]nc2c1 ZINC000081813809 279136833 /nfs/dbraw/zinc/13/68/33/279136833.db2.gz FHESTPWVOUUGMW-LLVKDONJSA-N -1 3 297.322 1.123 10 0 CDAEHM Cc1cc(C)c(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)[nH]1 ZINC000120812320 279391334 /nfs/dbraw/zinc/39/13/34/279391334.db2.gz YIELHCLKLSFASI-UHFFFAOYSA-N -1 3 296.334 1.988 10 0 CDAEHM Cc1cc(C)c(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)[nH]1 ZINC000120812320 279391336 /nfs/dbraw/zinc/39/13/36/279391336.db2.gz YIELHCLKLSFASI-UHFFFAOYSA-N -1 3 296.334 1.988 10 0 CDAEHM COc1ccc(CNC(=O)c2c[n-]nn2)cc1OC(F)F ZINC000194175748 280026739 /nfs/dbraw/zinc/02/67/39/280026739.db2.gz SPOARTVHAZEJID-UHFFFAOYSA-N -1 3 298.249 1.345 10 0 CDAEHM COc1ccc(CNC(=O)c2cnn[n-]2)cc1OC(F)F ZINC000194175748 280026741 /nfs/dbraw/zinc/02/67/41/280026741.db2.gz SPOARTVHAZEJID-UHFFFAOYSA-N -1 3 298.249 1.345 10 0 CDAEHM COc1ccc(CNC(=O)c2cn[n-]n2)cc1OC(F)F ZINC000194175748 280026743 /nfs/dbraw/zinc/02/67/43/280026743.db2.gz SPOARTVHAZEJID-UHFFFAOYSA-N -1 3 298.249 1.345 10 0 CDAEHM CCn1ncc(C[N-]S(=O)(=O)c2sccc2C)n1 ZINC000528447330 281232855 /nfs/dbraw/zinc/23/28/55/281232855.db2.gz QZMCRRYISKJIMJ-UHFFFAOYSA-N -1 3 286.382 1.146 10 0 CDAEHM COc1cc(=NC(=O)[C@H]2CC(=O)c3ccccc32)[n-]n1C ZINC000530503753 281525240 /nfs/dbraw/zinc/52/52/40/281525240.db2.gz VDXXUHXDPXLBRL-NSHDSACASA-N -1 3 285.303 1.159 10 0 CDAEHM CC(C)CC[C@H]1CCCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000155087797 289228546 /nfs/dbraw/zinc/22/85/46/289228546.db2.gz SLKBLSKIBNZYJM-NEPJUHHUSA-N -1 3 295.383 1.402 10 0 CDAEHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000159142737 289326897 /nfs/dbraw/zinc/32/68/97/289326897.db2.gz NBLVBLLNRDHKPH-VWYCJHECSA-N -1 3 281.356 1.012 10 0 CDAEHM COc1cc(=NC(=O)[C@@H]2CCC[C@H](C)C2)[n-]n1C ZINC000548145048 289850077 /nfs/dbraw/zinc/85/00/77/289850077.db2.gz AKEATEPEZMIYJO-VHSXEESVSA-N -1 3 251.330 1.615 10 0 CDAEHM COc1cc(=NC(=O)N(C)C[C@H]2CC=CCC2)[n-]n1C ZINC000548165893 289853283 /nfs/dbraw/zinc/85/32/83/289853283.db2.gz FSVYDDJQNQZDLI-NSHDSACASA-N -1 3 278.356 1.671 10 0 CDAEHM CC[C@@H](NC(=O)N=c1cc(OC)n(C)[n-]1)C1CCOCC1 ZINC000548496130 289895925 /nfs/dbraw/zinc/89/59/25/289895925.db2.gz MCPBXUCXSBNXAE-LLVKDONJSA-N -1 3 296.371 1.177 10 0 CDAEHM CCCCCC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000549725592 289974066 /nfs/dbraw/zinc/97/40/66/289974066.db2.gz AHTSUDZQJPTORF-JTQLQIEISA-N -1 3 265.361 1.471 10 0 CDAEHM C[C@@H]1CC[C@@H]1N=c1cc(N[C@H]2CC[C@H]2C)n2[n-]cnc2n1 ZINC000553365708 290115239 /nfs/dbraw/zinc/11/52/39/290115239.db2.gz YZVRUILDWKWRNH-WYUUTHIRSA-N -1 3 286.383 1.967 10 0 CDAEHM O=C([O-])[C@]1(NCc2cccc3c2OCCCO3)CCOC1 ZINC000556320798 290263488 /nfs/dbraw/zinc/26/34/88/290263488.db2.gz DTCCGUUNWMNKEY-HNNXBMFYSA-N -1 3 293.319 1.181 10 0 CDAEHM CCOC1(C(=O)N=c2cc(OC)n(C)[n-]2)CCCC1 ZINC000556457915 290269764 /nfs/dbraw/zinc/26/97/64/290269764.db2.gz MQRGVLYKCZYTHC-UHFFFAOYSA-N -1 3 267.329 1.138 10 0 CDAEHM O=C(N=c1cc2ccccn2[n-]1)[C@@H]1CCCOCC1 ZINC000557536675 290351649 /nfs/dbraw/zinc/35/16/49/290351649.db2.gz HCWZHWYPLDLMNY-LLVKDONJSA-N -1 3 259.309 1.511 10 0 CDAEHM COc1cc(=NC(=O)C2(SC)CCC2)[n-]n1C ZINC000558910021 290429179 /nfs/dbraw/zinc/42/91/79/290429179.db2.gz IZCCUQAUQZUYPH-UHFFFAOYSA-N -1 3 255.343 1.075 10 0 CDAEHM Cc1cc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)c(C)o1 ZINC000559249316 290440357 /nfs/dbraw/zinc/44/03/57/290440357.db2.gz NWZJTTDAUKRQMC-LLVKDONJSA-N -1 3 289.339 1.415 10 0 CDAEHM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000563258306 293327102 /nfs/dbraw/zinc/32/71/02/293327102.db2.gz TZISWFAWYKIRQX-KOLCDFICSA-N -1 3 275.370 1.663 10 0 CDAEHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccccc1[O-] ZINC000081586732 293511492 /nfs/dbraw/zinc/51/14/92/293511492.db2.gz TTZJCFQDMKDXCK-NSHDSACASA-N -1 3 272.308 1.557 10 0 CDAEHM CCC[C@@H](C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1)C(C)C ZINC000565092905 293519956 /nfs/dbraw/zinc/51/99/56/293519956.db2.gz LXWCZXKYCYLAEX-NEPJUHHUSA-N -1 3 293.415 1.963 10 0 CDAEHM C[C@H](C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1)c1ccccc1 ZINC000568326978 294015165 /nfs/dbraw/zinc/01/51/65/294015165.db2.gz FSIBAMUTZNHJHA-WCQYABFASA-N -1 3 299.378 1.695 10 0 CDAEHM O=S(=O)([N-]CCC[C@@H]1CCCCO1)c1cscn1 ZINC000569099349 294155956 /nfs/dbraw/zinc/15/59/56/294155956.db2.gz FZVIEILJSTUEOL-JTQLQIEISA-N -1 3 290.410 1.771 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CCc2cc[nH]c(=O)c2C1 ZINC000571775777 294504003 /nfs/dbraw/zinc/50/40/03/294504003.db2.gz HQNGBDQWCUGPKI-UHFFFAOYSA-N -1 3 285.303 1.015 10 0 CDAEHM C[C@@H]1CCN(C(=O)C[C@H](N)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000573744185 294879976 /nfs/dbraw/zinc/87/99/76/294879976.db2.gz ZSYXQYHWPRZVGO-XBFCOCLRSA-N -1 3 290.363 1.646 10 0 CDAEHM O=C(NC1CCN(c2ncccn2)CC1)c1cccc([O-])c1 ZINC000370360093 303744536 /nfs/dbraw/zinc/74/45/36/303744536.db2.gz RBXBEEQISWSMNS-UHFFFAOYSA-N -1 3 298.346 1.581 10 0 CDAEHM C[C@@H]1CC=C(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)CC1 ZINC000575187395 316975073 /nfs/dbraw/zinc/97/50/73/316975073.db2.gz LMLBDDPVAXWKQI-ZYHUDNBSSA-N -1 3 289.383 1.638 10 0 CDAEHM CC[C@H](CC(C)C)C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000575987546 317052362 /nfs/dbraw/zinc/05/23/62/317052362.db2.gz GIKATHQYXNWELJ-SNVBAGLBSA-N -1 3 253.346 1.861 10 0 CDAEHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1ncn(C)n1 ZINC000576180306 317092280 /nfs/dbraw/zinc/09/22/80/317092280.db2.gz XSVXTGIMZRZNPS-UHFFFAOYSA-N -1 3 263.301 1.562 10 0 CDAEHM O=S(=O)([N-]Cc1noc2c1CCCC2)c1cscn1 ZINC000577217570 317287911 /nfs/dbraw/zinc/28/79/11/317287911.db2.gz AQQVCYXYADSNTK-UHFFFAOYSA-N -1 3 299.377 1.488 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2C(=O)C[C@@H]2C=CCCC2)nc1=N ZINC000580778412 324558981 /nfs/dbraw/zinc/55/89/81/324558981.db2.gz JTBIBVFVZABLMM-VXGBXAGGSA-N -1 3 289.383 1.638 10 0 CDAEHM COc1cc(=NC(=O)c2c[nH]c(C(F)(F)F)c2)[n-]n1C ZINC000582018598 324885963 /nfs/dbraw/zinc/88/59/63/324885963.db2.gz GAHAJHUFRSVQAL-UHFFFAOYSA-N -1 3 288.229 1.450 10 0 CDAEHM Cc1cc(C[N-]S(=O)(=O)C[C@H]2CCCC2(F)F)no1 ZINC000583422538 325171166 /nfs/dbraw/zinc/17/11/66/325171166.db2.gz ZVRQMLRUHOLHJI-SECBINFHSA-N -1 3 294.323 1.838 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-]C2(C3CCC3)CCC2)cn1C ZINC000668273376 482313928 /nfs/dbraw/zinc/31/39/28/482313928.db2.gz UKSKRJLPEXYGDH-UHFFFAOYSA-N -1 3 283.397 1.730 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2CCC([C@H](C)O)CC2)cc1[O-] ZINC000668897558 482431360 /nfs/dbraw/zinc/43/13/60/482431360.db2.gz FQHBTFYKDFHBBC-JTQLQIEISA-N -1 3 291.347 1.828 10 0 CDAEHM CC1(C(=O)C[N-]S(=O)(=O)C[C@H]2CCOC2)CCCC1 ZINC000625547868 482445650 /nfs/dbraw/zinc/44/56/50/482445650.db2.gz ZNSQWVVTJHVGBF-NSHDSACASA-N -1 3 289.397 1.092 10 0 CDAEHM CC[C@H](C(=O)[O-])N(C)C(=O)C[C@@H](N)Cc1ccccc1 ZINC000677834893 482800666 /nfs/dbraw/zinc/80/06/66/482800666.db2.gz FSFITJQVGKTRKK-QWHCGFSZSA-N -1 3 278.352 1.268 10 0 CDAEHM O=C(N1CCc2ccccc21)N1CCc2c(=O)[n-]cnc2C1 ZINC000681372985 482831904 /nfs/dbraw/zinc/83/19/04/482831904.db2.gz YDHDQQTXADCURH-UHFFFAOYSA-N -1 3 296.330 1.723 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2Cc3ccc(F)cc32)[n-]1 ZINC000684470985 482833522 /nfs/dbraw/zinc/83/35/22/482833522.db2.gz LQKSRMRKEYZISB-SECBINFHSA-N -1 3 262.244 1.231 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2Cc3ccc(F)cc32)n[n-]1 ZINC000684470985 482833526 /nfs/dbraw/zinc/83/35/26/482833526.db2.gz LQKSRMRKEYZISB-SECBINFHSA-N -1 3 262.244 1.231 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2Cc3ccc(F)cc32)n1 ZINC000684470985 482833531 /nfs/dbraw/zinc/83/35/31/482833531.db2.gz LQKSRMRKEYZISB-SECBINFHSA-N -1 3 262.244 1.231 10 0 CDAEHM CCOc1cccnc1C(=O)[N-]c1nn2cnnc2s1 ZINC000674011185 482923277 /nfs/dbraw/zinc/92/32/77/482923277.db2.gz ZHIPHTDQWLGPKM-UHFFFAOYSA-N -1 3 290.308 1.232 10 0 CDAEHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccn1C ZINC000684964669 483039428 /nfs/dbraw/zinc/03/94/28/483039428.db2.gz RHFPCAKGOZPILC-UHFFFAOYSA-N -1 3 282.307 1.766 10 0 CDAEHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccn1C ZINC000684964669 483039429 /nfs/dbraw/zinc/03/94/29/483039429.db2.gz RHFPCAKGOZPILC-UHFFFAOYSA-N -1 3 282.307 1.766 10 0 CDAEHM CC(C)(C)c1cc([N-]S(=O)(=O)N2CCC2)n[nH]1 ZINC000671660459 483308812 /nfs/dbraw/zinc/30/88/12/483308812.db2.gz CGPVRTGGIVHOSS-UHFFFAOYSA-N -1 3 258.347 1.070 10 0 CDAEHM CCN(Cc1cccnc1C(=O)[O-])[C@@H](C)COC ZINC000062753650 521399005 /nfs/dbraw/zinc/39/90/05/521399005.db2.gz GSNOFUJGROVBPB-JTQLQIEISA-N -1 3 252.314 1.637 10 0 CDAEHM CCc1onc(C)c1C[N-]S(=O)(=O)Cc1ccon1 ZINC000922031253 1161464634 /nfs/dbraw/zinc/46/46/34/1161464634.db2.gz DQBKXLLRJNGOBQ-UHFFFAOYSA-N -1 3 285.325 1.153 10 0 CDAEHM CC(C)(C)[C@H](N)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000052880784 518960415 /nfs/dbraw/zinc/96/04/15/518960415.db2.gz MQSMSWOLDLYMAP-ABAIWWIYSA-N -1 3 278.352 1.476 10 0 CDAEHM CC(C)C[C@H](NC(=O)N[C@@H](CN(C)C)C(C)C)C(=O)[O-] ZINC000049230450 519387908 /nfs/dbraw/zinc/38/79/08/519387908.db2.gz ZMWIKXFAGCEEMC-RYUDHWBXSA-N -1 3 287.404 1.371 10 0 CDAEHM CC(C)N1CCN(C[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000062752409 519682466 /nfs/dbraw/zinc/68/24/66/519682466.db2.gz JXTALDYBTDJUEU-OAHLLOKOSA-N -1 3 276.380 1.881 10 0 CDAEHM CC(C)CC[C@H](C)NC(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000069235323 519689302 /nfs/dbraw/zinc/68/93/02/519689302.db2.gz FFDMUCWYGBUYFS-ZDUSSCGKSA-N -1 3 299.415 1.613 10 0 CDAEHM CC(C)[C@@H](CN(C)C)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000049196536 519793281 /nfs/dbraw/zinc/79/32/81/519793281.db2.gz VFUQSEUJAMRWTO-FRRDWIJNSA-N -1 3 282.384 1.356 10 0 CDAEHM CCN(C[C@H](C)C(=O)[O-])C(=O)Nc1ccccc1CNC ZINC000061224895 521243250 /nfs/dbraw/zinc/24/32/50/521243250.db2.gz QLRUEDSKVIIJKV-NSHDSACASA-N -1 3 293.367 1.981 10 0 CDAEHM CCCN(CC(=O)[O-])C(=O)N[C@H](CN(C)C)C(C)C ZINC000049230775 521558006 /nfs/dbraw/zinc/55/80/06/521558006.db2.gz SPAWYRTVSGHBMF-LLVKDONJSA-N -1 3 273.377 1.079 10 0 CDAEHM CCCn1cc(S(=O)(=O)[N-]C[C@@H](C)CC)c(N)n1 ZINC000054466563 521655194 /nfs/dbraw/zinc/65/51/94/521655194.db2.gz PLFDMBDGSOJNCV-VIFPVBQESA-N -1 3 274.390 1.200 10 0 CDAEHM CN(C)C[C@@H]1CCCN1C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000061654164 521833162 /nfs/dbraw/zinc/83/31/62/521833162.db2.gz RSZYAGINDJJBRI-OLZOCXBDSA-N -1 3 297.399 1.462 10 0 CDAEHM CNC(C)(C)C(=O)Nc1cc(F)ccc1C(=O)[O-] ZINC000061318029 521941652 /nfs/dbraw/zinc/94/16/52/521941652.db2.gz CXGIRSCIAJBFRN-UHFFFAOYSA-N -1 3 254.261 1.460 10 0 CDAEHM O=C(NC[C@H](CO)c1ccccc1)c1ccccc1[O-] ZINC000176470193 534620391 /nfs/dbraw/zinc/62/03/91/534620391.db2.gz YQHWWJNCSBRSMB-CYBMUJFWSA-N -1 3 271.316 1.898 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)Cc1cc(C)cc(C)c1)C(=O)OC ZINC000336895998 522677713 /nfs/dbraw/zinc/67/77/13/522677713.db2.gz RJDJTOWDGIMOAS-ZDUSSCGKSA-N -1 3 299.392 1.674 10 0 CDAEHM CCn1c(=O)[n-]nc1SCc1ccc(NC)nc1 ZINC000061608254 523093237 /nfs/dbraw/zinc/09/32/37/523093237.db2.gz WLPQJMUWXFSCOC-UHFFFAOYSA-N -1 3 265.342 1.320 10 0 CDAEHM CN(Cc1ccnc(C(=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000068764061 523450459 /nfs/dbraw/zinc/45/04/59/523450459.db2.gz TZWOIXFXDRVSKF-LBPRGKRZSA-N -1 3 264.325 1.638 10 0 CDAEHM C[C@@H](CN1CCCCC1)NC(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000054525209 524602018 /nfs/dbraw/zinc/60/20/18/524602018.db2.gz PAMHJVCMFWQCAA-JQWIXIFHSA-N -1 3 283.372 1.023 10 0 CDAEHM Cc1cccc2c(=O)[nH]c(CN[C@H](C(=O)[O-])C3CC3)nc12 ZINC000054522699 524924745 /nfs/dbraw/zinc/92/47/45/524924745.db2.gz ZRSLLKQLHRBRRG-ZDUSSCGKSA-N -1 3 287.319 1.184 10 0 CDAEHM C[C@@](NC(=O)[C@@H](CN)c1ccccc1)(C(=O)[O-])C1CC1 ZINC000061612476 525753629 /nfs/dbraw/zinc/75/36/29/525753629.db2.gz LBZRUWPPWMTMRZ-WFASDCNBSA-N -1 3 276.336 1.098 10 0 CDAEHM Cc1nnc(NC[C@@H]2CCCN(C)C2)c(C(=O)[O-])c1C ZINC000054530440 526369730 /nfs/dbraw/zinc/36/97/30/526369730.db2.gz ATCIZHNHZARMSP-NSHDSACASA-N -1 3 278.356 1.545 10 0 CDAEHM Cc1nnc(SCC[C@@](C)([NH2+]C(C)C)C(=O)[O-])[n-]1 ZINC000045597114 526532953 /nfs/dbraw/zinc/53/29/53/526532953.db2.gz INYYPKNIXJTBCN-LLVKDONJSA-N -1 3 272.374 1.437 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCN(CC(F)F)CC1 ZINC000061637700 526807903 /nfs/dbraw/zinc/80/79/03/526807903.db2.gz DPPQJTHRCCDBLI-UHFFFAOYSA-N -1 3 270.279 1.415 10 0 CDAEHM Cc1nc(N(C)[C@@H]2CCCN(C)C2)sc1C(=O)[O-] ZINC000054968341 526951783 /nfs/dbraw/zinc/95/17/83/526951783.db2.gz QVNNPRHKGJNIDW-SECBINFHSA-N -1 3 269.370 1.680 10 0 CDAEHM Nc1cc(Cn2[n-]c(=O)c3ccccc3c2=O)ccn1 ZINC000052732829 527452615 /nfs/dbraw/zinc/45/26/15/527452615.db2.gz LCIGCCZTQBJIMZ-UHFFFAOYSA-N -1 3 268.276 1.128 10 0 CDAEHM Nc1ccc(C(=O)[O-])c(N2CCN(CC3CC3)CC2)c1 ZINC000069513748 527473562 /nfs/dbraw/zinc/47/35/62/527473562.db2.gz ARSPTCNSUYTMCS-UHFFFAOYSA-N -1 3 275.352 1.499 10 0 CDAEHM CC(C)(CCNC(=O)c1cccc([O-])c1)S(C)(=O)=O ZINC000414010714 535037915 /nfs/dbraw/zinc/03/79/15/535037915.db2.gz SYEBNEKABBOKLF-UHFFFAOYSA-N -1 3 285.365 1.335 10 0 CDAEHM CC1(C)CC[C@@H](C(=O)NCc2nnc(C(F)(F)F)[n-]2)O1 ZINC000427197502 535319393 /nfs/dbraw/zinc/31/93/93/535319393.db2.gz KRXNFEYPKOEVJH-LURJTMIESA-N -1 3 292.261 1.397 10 0 CDAEHM CC1(C)CC[C@@H](C(=O)NCc2n[n-]c(C(F)(F)F)n2)O1 ZINC000427197502 535319397 /nfs/dbraw/zinc/31/93/97/535319397.db2.gz KRXNFEYPKOEVJH-LURJTMIESA-N -1 3 292.261 1.397 10 0 CDAEHM CC1(C)CC[C@@H](C(=O)NCc2nc(C(F)(F)F)n[n-]2)O1 ZINC000427197502 535319400 /nfs/dbraw/zinc/31/94/00/535319400.db2.gz KRXNFEYPKOEVJH-LURJTMIESA-N -1 3 292.261 1.397 10 0 CDAEHM CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000182416218 535470033 /nfs/dbraw/zinc/47/00/33/535470033.db2.gz UCUSSOOZHUEVOE-CQSZACIVSA-N -1 3 290.363 1.865 10 0 CDAEHM CCc1cnc(S(=O)(=O)Cc2ccc(C)nc2C)[n-]1 ZINC000187438069 536083323 /nfs/dbraw/zinc/08/33/23/536083323.db2.gz IWEKTPAGPHQSIW-UHFFFAOYSA-N -1 3 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269.264 1.619 10 0 CDAEHM CCc1cc(=O)[n-]c(CN(C)[C@@H](C)C(=O)OC(C)(C)C)n1 ZINC000121661273 360171768 /nfs/dbraw/zinc/17/17/68/360171768.db2.gz YDMSHEZGRAFGSS-JTQLQIEISA-N -1 3 295.383 1.907 10 0 CDAEHM O=C([O-])c1ccc([C@@H]2CCN(CCO)CCO2)cc1 ZINC000616594491 360249785 /nfs/dbraw/zinc/24/97/85/360249785.db2.gz PNKPAQBHUHOOQQ-ZDUSSCGKSA-N -1 3 265.309 1.141 10 0 CDAEHM O=C(NCc1ncccc1[O-])N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000645725636 360332380 /nfs/dbraw/zinc/33/23/80/360332380.db2.gz DWCLRIOGMGYWOO-GMTAPVOTSA-N -1 3 261.325 1.775 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](O)C2(C)C)c1 ZINC000408373488 360739258 /nfs/dbraw/zinc/73/92/58/360739258.db2.gz DVBWAFADUKMTDL-CYBMUJFWSA-N -1 3 292.335 1.336 10 0 CDAEHM COCCO[C@@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000338240886 360789329 /nfs/dbraw/zinc/78/93/29/360789329.db2.gz YXMSPUXYNKQRQP-CQSZACIVSA-N -1 3 279.336 1.660 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)o1 ZINC000335720929 360847075 /nfs/dbraw/zinc/84/70/75/360847075.db2.gz SVTUYQPQCHUTIV-NEPJUHHUSA-N -1 3 285.365 1.824 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2c(C)nn(C)c2C)c[n-]1 ZINC000431671440 361030052 /nfs/dbraw/zinc/03/00/52/361030052.db2.gz CZYOLYZAPFVNHI-UHFFFAOYSA-N -1 3 276.296 1.404 10 0 CDAEHM NC(=O)CCCCC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000338769414 361017900 /nfs/dbraw/zinc/01/79/00/361017900.db2.gz XXUXQWGUPREMFD-UHFFFAOYSA-N -1 3 277.284 1.049 10 0 CDAEHM NC(=O)CCCCC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000338769414 361017905 /nfs/dbraw/zinc/01/79/05/361017905.db2.gz XXUXQWGUPREMFD-UHFFFAOYSA-N -1 3 277.284 1.049 10 0 CDAEHM NC(=O)CCCCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000338769414 361017911 /nfs/dbraw/zinc/01/79/11/361017911.db2.gz XXUXQWGUPREMFD-UHFFFAOYSA-N -1 3 277.284 1.049 10 0 CDAEHM C[C@@H]1CC[C@@H](NC(=O)c2cc(=O)[n-]c(N(C)C)n2)C[C@@H]1C ZINC000338867096 361086190 /nfs/dbraw/zinc/08/61/90/361086190.db2.gz PDTSQAKUFFBFMU-OUAUKWLOSA-N -1 3 292.383 1.803 10 0 CDAEHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632510831 361206862 /nfs/dbraw/zinc/20/68/62/361206862.db2.gz QNBSIYCHXOIBOZ-HTQZYQBOSA-N -1 3 292.382 1.085 10 0 CDAEHM COc1cccc(OC)c1S(=O)(=O)[N-]CC[C@H](C)F ZINC000339033175 361226295 /nfs/dbraw/zinc/22/62/95/361226295.db2.gz PZZLFHXYKDELQY-VIFPVBQESA-N -1 3 291.344 1.730 10 0 CDAEHM COC(=O)Cc1n[n-]c(NC(=O)[C@H](C)CC(C)(C)C)n1 ZINC000357056578 366725886 /nfs/dbraw/zinc/72/58/86/366725886.db2.gz XHTMWXUJPMETOQ-MRVPVSSYSA-N -1 3 282.344 1.531 10 0 CDAEHM COC(=O)Cc1nnc(NC(=O)[C@H](C)CC(C)(C)C)[n-]1 ZINC000357056578 366725891 /nfs/dbraw/zinc/72/58/91/366725891.db2.gz XHTMWXUJPMETOQ-MRVPVSSYSA-N -1 3 282.344 1.531 10 0 CDAEHM COC(=O)Cc1nc(NC(=O)[C@H](C)CC(C)(C)C)n[n-]1 ZINC000357056578 366725896 /nfs/dbraw/zinc/72/58/96/366725896.db2.gz XHTMWXUJPMETOQ-MRVPVSSYSA-N -1 3 282.344 1.531 10 0 CDAEHM CCn1nc(C)c(C(=O)Nc2nnc(OC)[n-]2)c1Cl ZINC000183000811 189342166 /nfs/dbraw/zinc/34/21/66/189342166.db2.gz IHJOOSDZIFFAGG-UHFFFAOYSA-N -1 3 284.707 1.244 10 0 CDAEHM CCn1nc(C)c(C(=O)Nc2n[n-]c(OC)n2)c1Cl ZINC000183000811 189342167 /nfs/dbraw/zinc/34/21/67/189342167.db2.gz IHJOOSDZIFFAGG-UHFFFAOYSA-N -1 3 284.707 1.244 10 0 CDAEHM CCn1nc(C)c(C(=O)Nc2nc(OC)n[n-]2)c1Cl ZINC000183000811 189342168 /nfs/dbraw/zinc/34/21/68/189342168.db2.gz IHJOOSDZIFFAGG-UHFFFAOYSA-N -1 3 284.707 1.244 10 0 CDAEHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCO[C@@H](CCF)C1 ZINC000629014641 361404291 /nfs/dbraw/zinc/40/42/91/361404291.db2.gz RUWNVBISSITTLU-JTQLQIEISA-N -1 3 295.314 1.260 10 0 CDAEHM CCCCN(CC)C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000547514738 361435158 /nfs/dbraw/zinc/43/51/58/361435158.db2.gz GABQIRCGULCISB-UHFFFAOYSA-N -1 3 254.334 1.505 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc3O2)o1 ZINC000336596227 363797407 /nfs/dbraw/zinc/79/74/07/363797407.db2.gz CTDOWKXWIJZCON-GFCCVEGCSA-N -1 3 293.344 1.870 10 0 CDAEHM COc1ccc(C(=O)NC[C@H](CO)C2CC2)c([O-])c1 ZINC000436619300 361543027 /nfs/dbraw/zinc/54/30/27/361543027.db2.gz ONOZYNLABQFIGE-SNVBAGLBSA-N -1 3 265.309 1.149 10 0 CDAEHM CS(=O)(=O)CCCC(=O)[N-]OCc1ccc(F)cc1 ZINC000184258218 189381286 /nfs/dbraw/zinc/38/12/86/189381286.db2.gz APEJZTMHQVZHDY-UHFFFAOYSA-N -1 3 289.328 1.198 10 0 CDAEHM COCCN(C(=O)c1ccccc1[O-])[C@H]1CCOC1 ZINC000436814057 361579130 /nfs/dbraw/zinc/57/91/30/361579130.db2.gz KBACXISSXHIIGR-NSHDSACASA-N -1 3 265.309 1.270 10 0 CDAEHM C[C@H](CCNC(=O)c1cccc([O-])c1)[S@@](C)=O ZINC000166986624 361588851 /nfs/dbraw/zinc/58/88/51/361588851.db2.gz HCLJBJNDFAXXQW-XLFHBGCDSA-N -1 3 255.339 1.279 10 0 CDAEHM Cn1ccc(CCNC(=O)c2ccc3c(c2[O-])CCCC3)n1 ZINC000436981173 361629280 /nfs/dbraw/zinc/62/92/80/361629280.db2.gz PZPGLBSLVBZORJ-UHFFFAOYSA-N -1 3 299.374 1.977 10 0 CDAEHM COc1cc(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)ccc1[O-] ZINC000629134168 361620082 /nfs/dbraw/zinc/62/00/82/361620082.db2.gz ZOPFAGRCPVCCDT-AAEUAGOBSA-N -1 3 277.320 1.698 10 0 CDAEHM O=S(=O)([N-][C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1F ZINC000335602073 361621247 /nfs/dbraw/zinc/62/12/47/361621247.db2.gz UIOIEVPYTXJKRU-ILWJIGKKSA-N -1 3 255.314 1.903 10 0 CDAEHM COC(=O)CCNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184963424 189399940 /nfs/dbraw/zinc/39/99/40/189399940.db2.gz OUXAHOVGLWYRCX-UHFFFAOYSA-N -1 3 277.320 1.564 10 0 CDAEHM COc1ccc(C(=O)N[C@H]2CO[C@H](C3CC3)C2)c([O-])c1 ZINC000629139428 361637079 /nfs/dbraw/zinc/63/70/79/361637079.db2.gz LHUIYWONSKBSMQ-YGRLFVJLSA-N -1 3 277.320 1.698 10 0 CDAEHM COC[C@]1(C)CN(C(=O)c2cccc(C)c2[O-])CCO1 ZINC000629907683 364133207 /nfs/dbraw/zinc/13/32/07/364133207.db2.gz PLWBPKLZRPPAAR-HNNXBMFYSA-N -1 3 279.336 1.578 10 0 CDAEHM CNC(=O)[C@H](C)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000293630790 370721520 /nfs/dbraw/zinc/72/15/20/370721520.db2.gz ANMNFVZYOZPIJE-VIFPVBQESA-N -1 3 276.336 1.135 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)c1 ZINC000629931888 364189322 /nfs/dbraw/zinc/18/93/22/364189322.db2.gz ROCLVVJEZLMIEJ-CYBMUJFWSA-N -1 3 288.347 1.584 10 0 CDAEHM COc1cc(C(=O)NC[C@@H]2C[C@H]2C)cc(OC)c1[O-] ZINC000269892804 364371632 /nfs/dbraw/zinc/37/16/32/364371632.db2.gz BWGWMAIHAKTKBA-SCZZXKLOSA-N -1 3 265.309 1.795 10 0 CDAEHM CN(Cc1ccc(F)cc1)c1nc2nncc-2c(O)[n-]1 ZINC000302318074 364490128 /nfs/dbraw/zinc/49/01/28/364490128.db2.gz QPIPYTUNXHWNDP-UHFFFAOYSA-N -1 3 273.271 1.834 10 0 CDAEHM O=S1(=O)CC[C@H](C[N-]C(=S)OCc2ccccc2)C1 ZINC000040167364 364633532 /nfs/dbraw/zinc/63/35/32/364633532.db2.gz VDZVXZPARNBUGI-GFCCVEGCSA-N -1 3 299.417 1.512 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CC(C)(C)CCOC)c1 ZINC000352980383 364692471 /nfs/dbraw/zinc/69/24/71/364692471.db2.gz HMINWAMXTXEESQ-UHFFFAOYSA-N -1 3 289.401 1.244 10 0 CDAEHM CCCSCC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352981279 364694477 /nfs/dbraw/zinc/69/44/77/364694477.db2.gz BHVRHFDCYVBPGG-JTQLQIEISA-N -1 3 269.370 1.765 10 0 CDAEHM O=C(NCCC[C@@H]1CCOC1)NCc1ncccc1[O-] ZINC000455534908 252397109 /nfs/dbraw/zinc/39/71/09/252397109.db2.gz SKVPULLHLVZCTC-LLVKDONJSA-N -1 3 279.340 1.403 10 0 CDAEHM CO[C@@H]1CC[C@H](NC(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000412288712 240138077 /nfs/dbraw/zinc/13/80/77/240138077.db2.gz ZUANBFAARRZLGY-NWDGAFQWSA-N -1 3 277.320 1.892 10 0 CDAEHM CSC[C@H](C)NC(=O)NCc1ncccc1[O-] ZINC000471898270 365015478 /nfs/dbraw/zinc/01/54/78/365015478.db2.gz VEESBFPDBJVCPM-QMMMGPOBSA-N -1 3 255.343 1.338 10 0 CDAEHM C[C@H]1CCCN1S(=O)(=O)Nc1ccc(F)cc1[O-] ZINC000471968150 365035632 /nfs/dbraw/zinc/03/56/32/365035632.db2.gz OEPWYEYUYUFHCX-QMMMGPOBSA-N -1 3 274.317 1.672 10 0 CDAEHM COC(=O)CCCCNC(=O)c1cccc([O-])c1 ZINC000272536258 365280511 /nfs/dbraw/zinc/28/05/11/365280511.db2.gz BFEUFSZZOZXKDD-UHFFFAOYSA-N -1 3 251.282 1.465 10 0 CDAEHM CCc1cc(=O)[n-]c(CNC2(CCO)CCCCC2)n1 ZINC000353630832 365343322 /nfs/dbraw/zinc/34/33/22/365343322.db2.gz YNGBKFVPHPMMCB-UHFFFAOYSA-N -1 3 279.384 1.920 10 0 CDAEHM O=C(c1c([O-])cccc1O)N1CCCc2n[nH]cc2C1 ZINC000404665921 366915180 /nfs/dbraw/zinc/91/51/80/366915180.db2.gz YQBYEVHJQOGKMR-UHFFFAOYSA-N -1 3 273.292 1.410 10 0 CDAEHM O=C(Cc1cncnc1)N1CCCc2cccc([O-])c21 ZINC000279344931 366954881 /nfs/dbraw/zinc/95/48/81/366954881.db2.gz IRNBCRBVIDOVEZ-UHFFFAOYSA-N -1 3 269.304 1.704 10 0 CDAEHM CSCCO[N-]C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000280179595 367296567 /nfs/dbraw/zinc/29/65/67/367296567.db2.gz ZQEKFXXGEHZLDQ-MRVPVSSYSA-N -1 3 255.343 1.240 10 0 CDAEHM O=C(NCC[C@@H]1CCOC1)c1c([O-])cccc1O ZINC000230344023 367521412 /nfs/dbraw/zinc/52/14/12/367521412.db2.gz HCJWRYDMGTWJFX-SECBINFHSA-N -1 3 251.282 1.254 10 0 CDAEHM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358432068 367678687 /nfs/dbraw/zinc/67/86/87/367678687.db2.gz WRDYFSHKOCNQNB-LLVKDONJSA-N -1 3 261.343 1.417 10 0 CDAEHM CC(C)(C)n1ncnc1CNC(=O)c1cccc([O-])c1 ZINC000282208965 367774138 /nfs/dbraw/zinc/77/41/38/367774138.db2.gz SVEUQXLFPLVYRX-UHFFFAOYSA-N -1 3 274.324 1.669 10 0 CDAEHM COc1nnc(NC(=O)CCCC2CCOCC2)[n-]1 ZINC000282321232 367831437 /nfs/dbraw/zinc/83/14/37/367831437.db2.gz MIPAUMQPXCRZIJ-UHFFFAOYSA-N -1 3 268.317 1.349 10 0 CDAEHM COc1nc(NC(=O)CCCC2CCOCC2)n[n-]1 ZINC000282321232 367831442 /nfs/dbraw/zinc/83/14/42/367831442.db2.gz MIPAUMQPXCRZIJ-UHFFFAOYSA-N -1 3 268.317 1.349 10 0 CDAEHM COc1n[n-]c(NC(=O)CCCC2CCOCC2)n1 ZINC000282321232 367831445 /nfs/dbraw/zinc/83/14/45/367831445.db2.gz MIPAUMQPXCRZIJ-UHFFFAOYSA-N -1 3 268.317 1.349 10 0 CDAEHM CC[C@H](CS(=O)(=O)[N-][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)OC ZINC000528543696 367889646 /nfs/dbraw/zinc/88/96/46/367889646.db2.gz DLNZTXVLYVEAHZ-NGDQXYMTSA-N -1 3 279.402 1.143 10 0 CDAEHM CCc1ccccc1S(=O)(=O)NCc1ncccc1[O-] ZINC000360012125 368074281 /nfs/dbraw/zinc/07/42/81/368074281.db2.gz RKJJKSNJPDLUFC-UHFFFAOYSA-N -1 3 292.360 1.828 10 0 CDAEHM CC[C@](C)(OC)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000360318967 368230099 /nfs/dbraw/zinc/23/00/99/368230099.db2.gz UNIMMXFCEYJUCR-MFKMUULPSA-N -1 3 267.329 1.437 10 0 CDAEHM Cn1cnnc1S(=O)(=O)[N-]C1CCC(C)(C)CC1 ZINC000632027191 368379736 /nfs/dbraw/zinc/37/97/36/368379736.db2.gz VRGQTOPZHMCERC-UHFFFAOYSA-N -1 3 272.374 1.062 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000361000203 368593145 /nfs/dbraw/zinc/59/31/45/368593145.db2.gz VITWZHXQGGTJGF-LBPRGKRZSA-N -1 3 289.335 1.022 10 0 CDAEHM CCn1c(=O)[n-]nc1SCc1ncc(C)cn1 ZINC000361087411 368633249 /nfs/dbraw/zinc/63/32/49/368633249.db2.gz MLEKMVZSFYCSEM-UHFFFAOYSA-N -1 3 251.315 1.394 10 0 CDAEHM Cc1nn(C)c(C)c1[N-]S(=O)(=O)N1CCC(C)CC1 ZINC000361114475 368644732 /nfs/dbraw/zinc/64/47/32/368644732.db2.gz CTPBKMUHVQMDNE-UHFFFAOYSA-N -1 3 286.401 1.426 10 0 CDAEHM CCOC(=O)CCCCN1CCC(c2n[n-]c(=O)o2)CC1 ZINC000340221894 368702019 /nfs/dbraw/zinc/70/20/19/368702019.db2.gz YUNHICWFSCBZIA-UHFFFAOYSA-N -1 3 297.355 1.688 10 0 CDAEHM COC1(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)CCC1 ZINC000542855282 368841223 /nfs/dbraw/zinc/84/12/23/368841223.db2.gz CDVUQUAZTCJLQN-UHFFFAOYSA-N -1 3 287.323 1.298 10 0 CDAEHM COC1(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)CCC1 ZINC000542855282 368841224 /nfs/dbraw/zinc/84/12/24/368841224.db2.gz CDVUQUAZTCJLQN-UHFFFAOYSA-N -1 3 287.323 1.298 10 0 CDAEHM CO[C@H]1C[C@H](N=c2cc(-c3ccccc3)n3[n-]cnc3n2)C1 ZINC000631393373 376193979 /nfs/dbraw/zinc/19/39/79/376193979.db2.gz JJEWGGPEMDXXKQ-JOCQHMNTSA-N -1 3 295.346 1.803 10 0 CDAEHM CN(CCC(=O)Nc1ncccc1[O-])c1ccncc1 ZINC000544024314 369008142 /nfs/dbraw/zinc/00/81/42/369008142.db2.gz QBNVATFOVROZSV-UHFFFAOYSA-N -1 3 272.308 1.647 10 0 CDAEHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000330662139 203089355 /nfs/dbraw/zinc/08/93/55/203089355.db2.gz UAYXDABVBINBOX-LLVKDONJSA-N -1 3 275.370 1.663 10 0 CDAEHM CC[C@H](CCO)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000330660305 203089783 /nfs/dbraw/zinc/08/97/83/203089783.db2.gz RVXXNXNDCAIFDV-SNVBAGLBSA-N -1 3 261.343 1.275 10 0 CDAEHM COc1cc(=NC(=O)c2c(F)cccc2SC)[n-]n1C ZINC000545288376 369187309 /nfs/dbraw/zinc/18/73/09/369187309.db2.gz GKASMLMKFYSNLC-UHFFFAOYSA-N -1 3 295.339 1.964 10 0 CDAEHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000276075459 193206548 /nfs/dbraw/zinc/20/65/48/193206548.db2.gz KMPAJBSOVBQSGM-BQBZGAKWSA-N -1 3 264.372 1.153 10 0 CDAEHM COc1cc(=NC(=O)N[C@H]2CCO[C@H](C(C)C)C2)[n-]n1C ZINC000547514836 369576116 /nfs/dbraw/zinc/57/61/16/369576116.db2.gz YQZLWLOPPPXIJT-QWRGUYRKSA-N -1 3 296.371 1.176 10 0 CDAEHM COc1cc(=NC(=O)Cc2cc(C)ccc2C)[n-]n1C ZINC000547816608 369655779 /nfs/dbraw/zinc/65/57/79/369655779.db2.gz IDNNTVVTKGNTEF-UHFFFAOYSA-N -1 3 273.336 1.649 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)c1 ZINC000331034136 203481963 /nfs/dbraw/zinc/48/19/63/203481963.db2.gz XVWJGBQAHXMPRS-LLVKDONJSA-N -1 3 269.370 1.538 10 0 CDAEHM COc1cc(=NC(=O)c2cc3ccccc3o2)[n-]n1C ZINC000548143797 369767777 /nfs/dbraw/zinc/76/77/77/369767777.db2.gz DGNIMMASIAKTMB-UHFFFAOYSA-N -1 3 271.276 1.849 10 0 CDAEHM COc1cc(=NC(=O)CO[C@@H]2CCCC[C@H]2C)[n-]n1C ZINC000548144392 369768532 /nfs/dbraw/zinc/76/85/32/369768532.db2.gz RSDFUFFGKYQFGW-GHMZBOCLSA-N -1 3 281.356 1.384 10 0 CDAEHM CCCN(C)S(=O)(=O)[N-]c1cccc2c1OCC(=O)N2 ZINC000290565767 369959380 /nfs/dbraw/zinc/95/93/80/369959380.db2.gz SNGIYYNSVKMIKT-UHFFFAOYSA-N -1 3 299.352 1.016 10 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CDAEHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCO[C@H]2C[C@H]21 ZINC000646749297 392732744 /nfs/dbraw/zinc/73/27/44/392732744.db2.gz AIWSNAWSDKUWTK-OCCSQVGLSA-N -1 3 270.288 1.141 10 0 CDAEHM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc2n[n-]nc2c1 ZINC000649171770 392917368 /nfs/dbraw/zinc/91/73/68/392917368.db2.gz WKVCCIQRVKJADT-FBIMIBRVSA-N -1 3 256.309 1.876 10 0 CDAEHM O=C(c1csc(=O)[n-]1)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000521234015 392947139 /nfs/dbraw/zinc/94/71/39/392947139.db2.gz AKVAJHVRTOCFRL-NXEZZACHSA-N -1 3 282.365 1.737 10 0 CDAEHM C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459321933 393086131 /nfs/dbraw/zinc/08/61/31/393086131.db2.gz BNBZLOKCZYAMRL-GXSJLCMTSA-N -1 3 290.367 1.145 10 0 CDAEHM CC(C)CCOCCNS(=O)(=O)c1ccc([O-])cc1 ZINC000045110802 139608323 /nfs/dbraw/zinc/60/83/23/139608323.db2.gz JDSWJIQBUNVLPV-UHFFFAOYSA-N -1 3 287.381 1.733 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc(C)nn1 ZINC000649229294 393121478 /nfs/dbraw/zinc/12/14/78/393121478.db2.gz 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/nfs/dbraw/zinc/08/66/52/140086652.db2.gz QLNNOTPTEINGNI-UHFFFAOYSA-N -1 3 270.321 1.949 10 0 CDAEHM Cc1ccc([O-])c(CN[C@H](C)C(=O)NC(C)C)n1 ZINC000228947039 140198482 /nfs/dbraw/zinc/19/84/82/140198482.db2.gz HZYWGBWBKUHKJP-SNVBAGLBSA-N -1 3 251.330 1.098 10 0 CDAEHM CSCCCCNS(=O)(=O)c1ccc([O-])cc1 ZINC000229328054 140200333 /nfs/dbraw/zinc/20/03/33/140200333.db2.gz DFAKGRWFGGACPA-UHFFFAOYSA-N -1 3 275.395 1.814 10 0 CDAEHM CCc1nc([C@@H](C)N2CCC[C@H](c3n[n-]c(=O)o3)C2)n[nH]1 ZINC000660463342 413143306 /nfs/dbraw/zinc/14/33/06/413143306.db2.gz BCDJNFRPCWIGCT-BDAKNGLRSA-N -1 3 292.343 1.396 10 0 CDAEHM CC1CCC(N2CCN(C(=O)C(C)(C)C(=O)[O-])CC2)CC1 ZINC000649461854 397737954 /nfs/dbraw/zinc/73/79/54/397737954.db2.gz KNCLRCURCYRIBN-UHFFFAOYSA-N -1 3 296.411 1.820 10 0 CDAEHM CC(C)(C)CCc1noc([C@@H]2CCS(=O)(=O)[N-]2)n1 ZINC000650599102 398084759 /nfs/dbraw/zinc/08/47/59/398084759.db2.gz DCNCVYBKMFKMJI-QMMMGPOBSA-N -1 3 273.358 1.413 10 0 CDAEHM Cc1ccc(NC(=O)C[C@H](C)NC(N)=O)c([O-])c1 ZINC000654382012 413205987 /nfs/dbraw/zinc/20/59/87/413205987.db2.gz RHJHQJCAOYYDRA-QMMMGPOBSA-N -1 3 251.286 1.086 10 0 CDAEHM O=C(N[C@@H]1COc2ccccc2C1=O)c1cccc([O-])c1 ZINC000182940233 148276701 /nfs/dbraw/zinc/27/67/01/148276701.db2.gz KETOAMHMRWBDMG-CYBMUJFWSA-N -1 3 283.283 1.766 10 0 CDAEHM COc1nnc(NC(=O)c2cc(C)c3ccccc3n2)[n-]1 ZINC000182983452 148280488 /nfs/dbraw/zinc/28/04/88/148280488.db2.gz MWUXFUWCYBVQMR-UHFFFAOYSA-N -1 3 283.291 1.922 10 0 CDAEHM COc1nc(NC(=O)c2cc(C)c3ccccc3n2)n[n-]1 ZINC000182983452 148280492 /nfs/dbraw/zinc/28/04/92/148280492.db2.gz MWUXFUWCYBVQMR-UHFFFAOYSA-N -1 3 283.291 1.922 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cc(C)c3ccccc3n2)n1 ZINC000182983452 148280495 /nfs/dbraw/zinc/28/04/95/148280495.db2.gz MWUXFUWCYBVQMR-UHFFFAOYSA-N -1 3 283.291 1.922 10 0 CDAEHM O=C(c1cncc([O-])c1)N1CCCN(c2ccccn2)CC1 ZINC000184667108 148363340 /nfs/dbraw/zinc/36/33/40/148363340.db2.gz OJXVKDNIROCNOX-UHFFFAOYSA-N -1 3 298.346 1.535 10 0 CDAEHM CO[C@H](CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)C1CCC1 ZINC000660555858 413231414 /nfs/dbraw/zinc/23/14/14/413231414.db2.gz COIVBYIJCDBLBT-NWDGAFQWSA-N -1 3 280.372 1.505 10 0 CDAEHM Cn1c(=O)oc2c1cccc2C(=O)NCc1ncccc1[O-] ZINC000352518754 155245282 /nfs/dbraw/zinc/24/52/82/155245282.db2.gz ZDSWBRWYDSBUBW-UHFFFAOYSA-N -1 3 299.286 1.162 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N2CCN(C3CC3)CC2)c1 ZINC000334964251 150125773 /nfs/dbraw/zinc/12/57/73/150125773.db2.gz GHMFGFZURUAFGQ-UHFFFAOYSA-N -1 3 274.364 1.875 10 0 CDAEHM Cc1nnc([C@@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)[nH]1 ZINC000343330161 152124374 /nfs/dbraw/zinc/12/43/74/152124374.db2.gz HXDRTZRBUPDIDR-MRVPVSSYSA-N -1 3 297.318 1.446 10 0 CDAEHM Cc1ccnc(NC(=O)NCc2ncccc2[O-])c1 ZINC000346885328 153337736 /nfs/dbraw/zinc/33/77/36/153337736.db2.gz YYICLLGRAWFPPP-UHFFFAOYSA-N -1 3 258.281 1.812 10 0 CDAEHM Cc1ccc2[n-]cc(C(=O)N3CC[C@]34CCOC4)c(=O)c2c1 ZINC000422076622 292300817 /nfs/dbraw/zinc/30/08/17/292300817.db2.gz UCCZMHHZNCMREK-QGZVFWFLSA-N -1 3 298.342 1.842 10 0 CDAEHM O=C(NC[C@H]1COc2ccccc2O1)c1csc(=O)[n-]1 ZINC000349309968 154086000 /nfs/dbraw/zinc/08/60/00/154086000.db2.gz FSWCLZNFAQDUGH-QMMMGPOBSA-N -1 3 292.316 1.419 10 0 CDAEHM CO[C@H](CNC(=O)NCc1ncccc1[O-])C(C)C ZINC000349497939 154124624 /nfs/dbraw/zinc/12/46/24/154124624.db2.gz ZCDRCDXSDNYCBF-GFCCVEGCSA-N -1 3 267.329 1.257 10 0 CDAEHM COc1cc2c(cc1C(=O)[N-]c1nnc(C)s1)OCO2 ZINC000352312596 155089473 /nfs/dbraw/zinc/08/94/73/155089473.db2.gz IBYOJDKKHLBYMS-UHFFFAOYSA-N -1 3 293.304 1.836 10 0 CDAEHM CC(=O)CCCC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352992349 155573968 /nfs/dbraw/zinc/57/39/68/155573968.db2.gz QEICCPWXUFZNJH-NSHDSACASA-N -1 3 265.313 1.381 10 0 CDAEHM COCc1csc([N-]C(=O)c2cc(CN(C)C)on2)n1 ZINC000355852486 157264951 /nfs/dbraw/zinc/26/49/51/157264951.db2.gz CJWZKHNKBCYMMS-UHFFFAOYSA-N -1 3 296.352 1.591 10 0 CDAEHM Cc1ncc2n1CC[C@@H](C(=O)NCc1ncccc1[O-])C2 ZINC000356100141 157354992 /nfs/dbraw/zinc/35/49/92/157354992.db2.gz PCGSAAFMCVOAHQ-LLVKDONJSA-N -1 3 286.335 1.171 10 0 CDAEHM O=c1[nH]c(COC[C@@H]2CCCO2)nc2ccc([O-])cc21 ZINC000656490625 413349256 /nfs/dbraw/zinc/34/92/56/413349256.db2.gz DGHFZGHTPKCVCL-JTQLQIEISA-N -1 3 276.292 1.737 10 0 CDAEHM COC[C@](C)([N-]S(=O)(=O)c1ccccc1)C(F)(F)F ZINC000358822985 158041846 /nfs/dbraw/zinc/04/18/46/158041846.db2.gz HJYQMFPSQYZCJF-JTQLQIEISA-N -1 3 297.298 1.932 10 0 CDAEHM CCc1cc(C(=O)N2CCSC[C@@H]2CCO)ccc1[O-] ZINC000362938271 159272764 /nfs/dbraw/zinc/27/27/64/159272764.db2.gz KQFLZOJQMVCCDJ-ZDUSSCGKSA-N -1 3 295.404 1.895 10 0 CDAEHM CC(=O)c1ccc(NC(=O)C(=S)[N-]C2CC2)cc1 ZINC000005481260 170103540 /nfs/dbraw/zinc/10/35/40/170103540.db2.gz CYNVQSIXQBODIP-UHFFFAOYSA-N -1 3 262.334 1.907 10 0 CDAEHM C[C@@H]1CC=CC[C@H]1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000408021513 287243505 /nfs/dbraw/zinc/24/35/05/287243505.db2.gz IWJHYBKBUFIWID-GHMZBOCLSA-N -1 3 273.336 1.669 10 0 CDAEHM CCCC[C@@H](NC(=O)C1(N)CC2(CCC2)C1)C(=O)[O-] ZINC000663280884 412083160 /nfs/dbraw/zinc/08/31/60/412083160.db2.gz CDZUXYMWVYFTHB-SNVBAGLBSA-N -1 3 268.357 1.408 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N[C@@H]1CCCC1(F)F ZINC000655399850 412176474 /nfs/dbraw/zinc/17/64/74/412176474.db2.gz LORKCHJJOVHNMF-SNVBAGLBSA-N -1 3 256.252 1.634 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CC[C@@]2(CC2(F)F)C1 ZINC000655406973 412183498 /nfs/dbraw/zinc/18/34/98/412183498.db2.gz BNCCTCRHJMSQAJ-GFCCVEGCSA-N -1 3 268.263 1.587 10 0 CDAEHM CC(C)c1ccc(NC(=O)CSC[C@H](N)C(=O)[O-])cc1 ZINC000035082757 171967783 /nfs/dbraw/zinc/96/77/83/171967783.db2.gz JGXXOGBIHNQNGI-LBPRGKRZSA-N -1 3 296.392 1.894 10 0 CDAEHM CC(C)N(C(=O)CSC[C@@H](N)C(=O)[O-])c1ccccc1 ZINC000035082721 171967953 /nfs/dbraw/zinc/96/79/53/171967953.db2.gz CJNUSLLGQGPPDT-GFCCVEGCSA-N -1 3 296.392 1.573 10 0 CDAEHM Cc1cc([N-]C(=O)c2n[nH]c(=O)c3ccccc32)on1 ZINC000035206706 172050650 /nfs/dbraw/zinc/05/06/50/172050650.db2.gz BPUGQQGPBDVFQJ-UHFFFAOYSA-N -1 3 270.248 1.472 10 0 CDAEHM O=C([O-])CCNCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000035386310 172168791 /nfs/dbraw/zinc/16/87/91/172168791.db2.gz ZYVYSLBCFPWNNE-NWDGAFQWSA-N -1 3 268.357 1.232 10 0 CDAEHM Cc1ccc(C)c(NC(=O)CNCCC(=O)[O-])c1 ZINC000035386567 172168952 /nfs/dbraw/zinc/16/89/52/172168952.db2.gz RDXKZWIUZRWQMA-UHFFFAOYSA-N -1 3 250.298 1.306 10 0 CDAEHM CCC[C@](C)(N)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656855835 413758621 /nfs/dbraw/zinc/75/86/21/413758621.db2.gz TUZKZPXAKFCUIM-RSQPEXBXSA-N -1 3 284.400 1.756 10 0 CDAEHM Cc1cccc(S(=O)(=O)[N-][C@@H](CO)C2CCC2)c1F ZINC000657056591 413881326 /nfs/dbraw/zinc/88/13/26/413881326.db2.gz NNIYTPSPIUTKIQ-NSHDSACASA-N -1 3 287.356 1.573 10 0 CDAEHM CCc1ncc(S(=O)(=O)[N-][C@@H](CO)C2CCC2)s1 ZINC000657057601 413883960 /nfs/dbraw/zinc/88/39/60/413883960.db2.gz UUZOELIZLANFKV-VIFPVBQESA-N -1 3 290.410 1.145 10 0 CDAEHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1ccco1 ZINC000657058994 413884179 /nfs/dbraw/zinc/88/41/79/413884179.db2.gz WXSCCHOFAJYPHG-LLVKDONJSA-N -1 3 273.354 1.763 10 0 CDAEHM O=S(=O)([N-]CCO[C@H]1CC1(F)F)c1ccccc1F ZINC000657118544 413944797 /nfs/dbraw/zinc/94/47/97/413944797.db2.gz VVHZGUVQSICGFI-JTQLQIEISA-N -1 3 295.282 1.528 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](C)n3ncnc32)o1 ZINC000657069472 413893143 /nfs/dbraw/zinc/89/31/43/413893143.db2.gz WJKJCGZUPNKUCK-CBAPKCEASA-N -1 3 282.325 1.164 10 0 CDAEHM O=C(N[C@H]1CCCC1(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000655080061 414011616 /nfs/dbraw/zinc/01/16/16/414011616.db2.gz LTFZDBLIYYSYHL-VIFPVBQESA-N -1 3 283.278 1.977 10 0 CDAEHM CC1(F)CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000655040509 413954715 /nfs/dbraw/zinc/95/47/15/413954715.db2.gz WZBBDUWSUIBJKB-UHFFFAOYSA-N -1 3 251.261 1.244 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](C)O1 ZINC000657157472 413982766 /nfs/dbraw/zinc/98/27/66/413982766.db2.gz UFBIWVZWKVLVKJ-KCJUWKMLSA-N -1 3 288.369 1.527 10 0 CDAEHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H]1C[C@H](O)C12CCC2 ZINC000657188076 414025507 /nfs/dbraw/zinc/02/55/07/414025507.db2.gz QKOZQFFMOUHWLY-NEPJUHHUSA-N -1 3 299.367 1.716 10 0 CDAEHM CCN1CCC[C@@H]1CNCc1nc(=O)c2sccc2[n-]1 ZINC000037328662 173129057 /nfs/dbraw/zinc/12/90/57/173129057.db2.gz NXAKRIJCZDHQJI-SNVBAGLBSA-N -1 3 292.408 1.559 10 0 CDAEHM N[C@H](CC1CCCCC1)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663278979 414116697 /nfs/dbraw/zinc/11/66/97/414116697.db2.gz ALTLCKJOQARAAQ-ZIAGYGMSSA-N -1 3 296.411 1.901 10 0 CDAEHM Cn1ncc2c1nc(CN1CCC[C@@H](CCF)C1)[n-]c2=O ZINC000661689761 414279182 /nfs/dbraw/zinc/27/91/82/414279182.db2.gz FLHQOCQVZWBBQG-JTQLQIEISA-N -1 3 293.346 1.641 10 0 CDAEHM CC(F)(F)CCC(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000662171993 414551307 /nfs/dbraw/zinc/55/13/07/414551307.db2.gz XSJRDRXEBNQQJP-UHFFFAOYSA-N -1 3 287.270 1.071 10 0 CDAEHM CC(F)(F)CCC(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000662171993 414551310 /nfs/dbraw/zinc/55/13/10/414551310.db2.gz XSJRDRXEBNQQJP-UHFFFAOYSA-N -1 3 287.270 1.071 10 0 CDAEHM CC(F)(F)CCC(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000662171993 414551314 /nfs/dbraw/zinc/55/13/14/414551314.db2.gz XSJRDRXEBNQQJP-UHFFFAOYSA-N -1 3 287.270 1.071 10 0 CDAEHM CCCCC[C@@H]1CCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662206919 414563710 /nfs/dbraw/zinc/56/37/10/414563710.db2.gz XNKFDVJZIWDJRW-CHWSQXEVSA-N -1 3 282.384 1.717 10 0 CDAEHM C[C@H](N[C@@H]1CCN(CC(=O)[O-])C1=O)[C@@H](C)c1ccccc1 ZINC000662212991 414564970 /nfs/dbraw/zinc/56/49/70/414564970.db2.gz ZHKWBBPJIDYPFM-MBNYWOFBSA-N -1 3 290.363 1.454 10 0 CDAEHM CCN(CCC(=O)[O-])CC(=O)N1CCc2sccc2C1 ZINC000038024521 174007976 /nfs/dbraw/zinc/00/79/76/174007976.db2.gz OVJQWQVLVPDGJV-UHFFFAOYSA-N -1 3 296.392 1.429 10 0 CDAEHM C[C@@H](C(=O)N1CCCC1)N1CCCC[C@@H]1CC(=O)[O-] ZINC000038028021 174014791 /nfs/dbraw/zinc/01/47/91/174014791.db2.gz YPOLZZQVCBQFCD-NWDGAFQWSA-N -1 3 268.357 1.327 10 0 CDAEHM CCCCNC(=O)[C@H](C)N1CCCC[C@@H]1CC(=O)[O-] ZINC000038028040 174014908 /nfs/dbraw/zinc/01/49/08/174014908.db2.gz BCWREVZLBWYIAZ-NWDGAFQWSA-N -1 3 270.373 1.620 10 0 CDAEHM CC[C@H](C)N[C@@]1(C(=O)[O-])COc2cc(O)ccc21 ZINC000038065913 174076849 /nfs/dbraw/zinc/07/68/49/174076849.db2.gz IRXYJJMMGMWWRX-SDBXPKJASA-N -1 3 251.282 1.453 10 0 CDAEHM NC(=S)C1(NC(=O)c2cccc([O-])c2)CCCC1 ZINC000040354562 174245666 /nfs/dbraw/zinc/24/56/66/174245666.db2.gz VEBZLYQGXXRCCW-UHFFFAOYSA-N -1 3 264.350 1.721 10 0 CDAEHM N[C@@H](c1nn[n-]n1)c1ccc(OC(F)(F)F)cc1 ZINC000040397169 174253187 /nfs/dbraw/zinc/25/31/87/174253187.db2.gz USOXYUZDPLSGLX-SSDOTTSWSA-N -1 3 259.191 1.146 10 0 CDAEHM N[C@@H](c1nnn[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000040397169 174253188 /nfs/dbraw/zinc/25/31/88/174253188.db2.gz USOXYUZDPLSGLX-SSDOTTSWSA-N -1 3 259.191 1.146 10 0 CDAEHM CN1CCC[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000040452257 174266280 /nfs/dbraw/zinc/26/62/80/174266280.db2.gz OKSBNKYZTZBHMJ-SNVBAGLBSA-N -1 3 268.744 1.870 10 0 CDAEHM CC[C@H](N)C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-] ZINC000040470424 174278951 /nfs/dbraw/zinc/27/89/51/174278951.db2.gz BSRYIJWZYCWCPD-QMMMGPOBSA-N -1 3 282.296 1.078 10 0 CDAEHM CC[C@H](N)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000040479365 174283875 /nfs/dbraw/zinc/28/38/75/174283875.db2.gz NGHBAEADWQXSDZ-QMMMGPOBSA-N -1 3 256.689 1.714 10 0 CDAEHM CC[C@H](C)NCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-] ZINC000040480751 174284692 /nfs/dbraw/zinc/28/46/92/174284692.db2.gz CJFLTEDHAOJCQR-GWCFXTLKSA-N -1 3 276.336 1.417 10 0 CDAEHM O=C([O-])CN(C(=O)[C@@H]1CCCCN1)c1ccccc1 ZINC000040484106 174287736 /nfs/dbraw/zinc/28/77/36/174287736.db2.gz GDLYMKLCYRPPHH-LBPRGKRZSA-N -1 3 262.309 1.246 10 0 CDAEHM CCC[C@@H](N)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000040484921 174288478 /nfs/dbraw/zinc/28/84/78/174288478.db2.gz AQQCDZOLEUAKNF-CHWSQXEVSA-N -1 3 278.352 1.836 10 0 CDAEHM CCCC[C@H](N)C(=O)N(CCCC(=O)[O-])C(C)C ZINC000040485530 174288669 /nfs/dbraw/zinc/28/86/69/174288669.db2.gz GAQFFFIFIJADCM-NSHDSACASA-N -1 3 258.362 1.606 10 0 CDAEHM CCC[C@@H](N)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000040486399 174289274 /nfs/dbraw/zinc/28/92/74/174289274.db2.gz VVXOYQDBDVWMSK-LLVKDONJSA-N -1 3 250.298 1.128 10 0 CDAEHM CN(C(=O)Nc1cccc(C(=O)[O-])c1)C1CCN(C)CC1 ZINC000040519227 174308572 /nfs/dbraw/zinc/30/85/72/174308572.db2.gz AOVVFZJTYVROAI-UHFFFAOYSA-N -1 3 291.351 1.943 10 0 CDAEHM CCCC[C@@H](NC(=O)N(C)C1CCN(C)CC1)C(=O)[O-] ZINC000040549524 174326391 /nfs/dbraw/zinc/32/63/91/174326391.db2.gz NPDWEWZPJMGJCN-GFCCVEGCSA-N -1 3 285.388 1.365 10 0 CDAEHM CN1CCC(NC(=O)Nc2cc(F)ccc2C(=O)[O-])CC1 ZINC000040573686 174339690 /nfs/dbraw/zinc/33/96/90/174339690.db2.gz IIBRETSIKRSOEZ-UHFFFAOYSA-N -1 3 295.314 1.740 10 0 CDAEHM CO[C@H]1CN[C@H](C(=O)Nc2cc(Cl)ccc2C(=O)[O-])C1 ZINC000040636956 174361918 /nfs/dbraw/zinc/36/19/18/174361918.db2.gz WAPHHKWQMZORCB-KCJUWKMLSA-N -1 3 298.726 1.354 10 0 CDAEHM CCCC[C@@H](NC(=O)N[C@H]1CCCN(C)C1)C(=O)[O-] ZINC000040716419 174383418 /nfs/dbraw/zinc/38/34/18/174383418.db2.gz AATBYXBGOMNNQK-WDEREUQCSA-N -1 3 271.361 1.023 10 0 CDAEHM CC(C)[C@@H](N)C(=O)N[C@@]1(C(=O)[O-])CCC[C@H](C)C1 ZINC000041036629 174459688 /nfs/dbraw/zinc/45/96/88/174459688.db2.gz QGWLMNUIICGFIK-CWSCBRNRSA-N -1 3 256.346 1.119 10 0 CDAEHM CC[C@@H](NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C)C(=O)[O-] ZINC000043559572 175065419 /nfs/dbraw/zinc/06/54/19/175065419.db2.gz VAVAGQUKTNSZIH-LMLFDSFASA-N -1 3 256.346 1.227 10 0 CDAEHM C[C@@H](C(=O)N(C)CCCC(=O)[O-])N1[C@@H](C)CC[C@@H]1C ZINC000043559554 175066032 /nfs/dbraw/zinc/06/60/32/175066032.db2.gz ZTYNKMCIANWWGV-SRVKXCTJSA-N -1 3 270.373 1.571 10 0 CDAEHM CCN1CCC[C@@H](n2c(C)c(C(=O)[O-])c(C)cc2=O)C1 ZINC000043673669 175088069 /nfs/dbraw/zinc/08/80/69/175088069.db2.gz SOMCTWSOROFFFB-GFCCVEGCSA-N -1 3 278.352 1.820 10 0 CDAEHM Cc1nnc(SCC(=O)[O-])n1C[C@H]1CCCCN1C ZINC000044563470 175206299 /nfs/dbraw/zinc/20/62/99/175206299.db2.gz BOTWFDORVQDNCU-SNVBAGLBSA-N -1 3 284.385 1.248 10 0 CDAEHM CC(C)C[C@@H](NC(=O)NC[C@H]1CCCCN1C)C(=O)[O-] ZINC000044565513 175208500 /nfs/dbraw/zinc/20/85/00/175208500.db2.gz SMBWSGASTXZVGF-VXGBXAGGSA-N -1 3 285.388 1.269 10 0 CDAEHM CC(C)[C@@H](N)C(=O)N1CCc2sccc2[C@H]1C(=O)[O-] ZINC000044592598 175213877 /nfs/dbraw/zinc/21/38/77/175213877.db2.gz NJQBZSOYDWVKGZ-MNOVXSKESA-N -1 3 282.365 1.242 10 0 CDAEHM C[C@H](CN(C)C(=O)NC[C@@H](C)N1CCCCC1)C(=O)[O-] ZINC000045013502 175290386 /nfs/dbraw/zinc/29/03/86/175290386.db2.gz HUTRUDKQTQWGQP-VXGBXAGGSA-N -1 3 285.388 1.223 10 0 CDAEHM CN(C[C@](NC1CC1)(C(=O)[O-])c1ccccc1)C1CC1 ZINC000045264967 175338242 /nfs/dbraw/zinc/33/82/42/175338242.db2.gz RRFSDBURADSYLE-MRXNPFEDSA-N -1 3 274.364 1.813 10 0 CDAEHM C/C(C(=O)[O-])=C(\C)C(=O)N(C)CC1CCN(C)CC1 ZINC000071165941 176048540 /nfs/dbraw/zinc/04/85/40/176048540.db2.gz RLFPXPKRJNOWEK-KHPPLWFESA-N -1 3 268.357 1.208 10 0 CDAEHM O=S(=O)([N-][C@H]1CCCC[C@H]1O)c1cnccc1Cl ZINC000071204685 176079273 /nfs/dbraw/zinc/07/92/73/176079273.db2.gz LDKFGGASXUFLLN-VHSXEESVSA-N -1 3 290.772 1.317 10 0 CDAEHM O=C(NCC1(O)CCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000078745028 177380312 /nfs/dbraw/zinc/38/03/12/177380312.db2.gz VEONFGZZQGNZIP-UHFFFAOYSA-N -1 3 286.331 1.563 10 0 CDAEHM CC(=O)c1cc(OS(=O)(=O)c2cn[n-]c2C)ccc1F ZINC001665892049 1173081015 /nfs/dbraw/zinc/08/10/15/1173081015.db2.gz CYGZHMXIDVPAHI-UHFFFAOYSA-N -1 3 298.295 1.828 10 0 CDAEHM O=S(=O)(c1ccc([O-])cc1)N1CCO[C@H](C2CCC2)C1 ZINC000333389798 228199393 /nfs/dbraw/zinc/19/93/93/228199393.db2.gz CSXJGNSWHHXPGX-AWEZNQCLSA-N -1 3 297.376 1.582 10 0 CDAEHM CC(C)(C)[C@@H](O)CNC(=O)c1ccc(O)cc1[O-] ZINC000324378253 270331918 /nfs/dbraw/zinc/33/19/18/270331918.db2.gz VSRXZPVQLBZEKI-NSHDSACASA-N -1 3 253.298 1.235 10 0 CDAEHM CC[C@@H](CSC)[N-]S(=O)(=O)c1cscn1 ZINC000519393140 265415768 /nfs/dbraw/zinc/41/57/68/265415768.db2.gz IAGCBGZZSLRHCQ-ZETCQYMHSA-N -1 3 266.413 1.563 10 0 CDAEHM C[C@@H]1COCC[C@@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000192790965 270299488 /nfs/dbraw/zinc/29/94/88/270299488.db2.gz UQHAORMXBNJLLH-KOLCDFICSA-N -1 3 267.300 1.820 10 0 CDAEHM CC1(C)OC[C@H]2C[C@]21NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000529784686 271039672 /nfs/dbraw/zinc/03/96/72/271039672.db2.gz RFXHNIUWLFPQGE-QGHHPUGFSA-N -1 3 298.342 1.825 10 0 CDAEHM CO[C@H]1CCN(Cc2cc(CO)ccc2F)[C@H](C(=O)[O-])C1 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ZINC000338826056 279156254 /nfs/dbraw/zinc/15/62/54/279156254.db2.gz ANNLBBSGJCJWEU-UHFFFAOYSA-N -1 3 279.325 1.265 10 0 CDAEHM Cc1ccc(C(=O)N(C)CC(=O)NC(C)(C)C)c([O-])c1C ZINC000048398362 279157836 /nfs/dbraw/zinc/15/78/36/279157836.db2.gz SSIVEGGKXKNZIO-UHFFFAOYSA-N -1 3 292.379 1.996 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-]CCCC2CC2)cn1C ZINC000076297801 279225734 /nfs/dbraw/zinc/22/57/34/279225734.db2.gz SLZOMSRMPMZMBG-UHFFFAOYSA-N -1 3 257.359 1.197 10 0 CDAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@@H]1CCCCS1 ZINC000527499002 281145340 /nfs/dbraw/zinc/14/53/40/281145340.db2.gz CHHCGPQDWGMYCG-MNOVXSKESA-N -1 3 281.381 1.907 10 0 CDAEHM COc1cc(=NC(=O)CC(C)(C)C(F)(F)F)[n-]n1C ZINC000530539011 281538923 /nfs/dbraw/zinc/53/89/23/281538923.db2.gz PKUDZPKWSPNEIF-UHFFFAOYSA-N -1 3 279.262 1.768 10 0 CDAEHM CCc1cccc(C(=O)N(C)CC(=O)NC(C)(C)C)c1[O-] ZINC000530959759 281643068 /nfs/dbraw/zinc/64/30/68/281643068.db2.gz NUZVZUSHQZXSJZ-UHFFFAOYSA-N -1 3 292.379 1.941 10 0 CDAEHM COc1cc(=NC(=O)N[C@H](C)c2ncc(C)s2)[n-]n1C ZINC000547840145 289815466 /nfs/dbraw/zinc/81/54/66/289815466.db2.gz RFZJGNLYBOEGJO-MRVPVSSYSA-N -1 3 295.368 1.498 10 0 CDAEHM CC1(C)SC[C@H]1NC(=O)N=c1cc2ccccn2[n-]1 ZINC000554526621 290170684 /nfs/dbraw/zinc/17/06/84/290170684.db2.gz CSSRDLLQUXZSIE-SNVBAGLBSA-N -1 3 276.365 1.772 10 0 CDAEHM CO[C@H]1C[C@@H](N(C)C(=O)c2cccc3[n-]nnc32)C1 ZINC000557443718 290344986 /nfs/dbraw/zinc/34/49/86/290344986.db2.gz FTURHTKUEZKPPG-DTORHVGOSA-N -1 3 260.297 1.207 10 0 CDAEHM CO[C@H]1C[C@@H](N(C)C(=O)c2cccc3nn[n-]c32)C1 ZINC000557443718 290344987 /nfs/dbraw/zinc/34/49/87/290344987.db2.gz FTURHTKUEZKPPG-DTORHVGOSA-N -1 3 260.297 1.207 10 0 CDAEHM CO[C@H]1C[C@@H](N(C)C(=O)c2cccc3n[n-]nc32)C1 ZINC000557443718 290344990 /nfs/dbraw/zinc/34/49/90/290344990.db2.gz FTURHTKUEZKPPG-DTORHVGOSA-N -1 3 260.297 1.207 10 0 CDAEHM COc1ncccc1CC[N-]S(=O)(=O)c1cscn1 ZINC000563054870 293258876 /nfs/dbraw/zinc/25/88/76/293258876.db2.gz HNVNZWRGACITSZ-UHFFFAOYSA-N -1 3 299.377 1.068 10 0 CDAEHM C[C@@](O)(CN1CC[C@H](C(F)(F)F)C(C)(C)C1)C(=O)[O-] ZINC000564660210 293389279 /nfs/dbraw/zinc/38/92/79/293389279.db2.gz COXIXJDNBJAVNQ-GZMMTYOYSA-N -1 3 283.290 1.732 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)c2cscn2)c1 ZINC000568264981 294003942 /nfs/dbraw/zinc/00/39/42/294003942.db2.gz ISBVYJUPXLVZMQ-QMMMGPOBSA-N -1 3 286.382 1.399 10 0 CDAEHM Cc1ccc(C(=O)N2CCNC[C@H]2c2cccnc2)c([O-])c1 ZINC000572130541 294564013 /nfs/dbraw/zinc/56/40/13/294564013.db2.gz ZVPSHTCLOJRXRK-HNNXBMFYSA-N -1 3 297.358 1.882 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CC(C)(C)C)nc1=N ZINC000574022300 294930396 /nfs/dbraw/zinc/93/03/96/294930396.db2.gz VYBIQGODUQSMDZ-SECBINFHSA-N -1 3 265.361 1.327 10 0 CDAEHM Cc1cc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)[n-]c(=O)n1 ZINC000329198818 301115054 /nfs/dbraw/zinc/11/50/54/301115054.db2.gz WRYGZOSFGFHHLC-SKDRFNHKSA-N -1 3 283.278 1.608 10 0 CDAEHM Cc1ccsc1S(=O)(=O)[N-][C@H]1CNCCC1(F)F ZINC000334968120 302304572 /nfs/dbraw/zinc/30/45/72/302304572.db2.gz 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/nfs/dbraw/zinc/20/48/76/317204876.db2.gz GUCKWEUUEKSNIC-QMMMGPOBSA-N -1 3 287.366 1.620 10 0 CDAEHM Cn1[n-]c(CN[C@H]2CCCC[C@H]2CC(F)(F)F)nc1=O ZINC000577261691 317295705 /nfs/dbraw/zinc/29/57/05/317295705.db2.gz RVEPXESMWOHUCV-IUCAKERBSA-N -1 3 292.305 1.709 10 0 CDAEHM COc1cc(=NC(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)[n-]n1C ZINC000579920101 324313487 /nfs/dbraw/zinc/31/34/87/324313487.db2.gz WBXHZTPXSUMLHB-SMDDNHRTSA-N -1 3 294.399 1.995 10 0 CDAEHM O=C(Nc1ncccc1[O-])c1nc2c(s1)CCC2 ZINC000580941093 324603289 /nfs/dbraw/zinc/60/32/89/324603289.db2.gz SCAIWDKUWLVKRX-UHFFFAOYSA-N -1 3 261.306 1.985 10 0 CDAEHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1cscn1 ZINC000581605264 324791234 /nfs/dbraw/zinc/79/12/34/324791234.db2.gz VGYPSNYHZPVLLV-SNVBAGLBSA-N -1 3 299.421 1.781 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)c1scnc1C1CC1 ZINC000582973156 325082275 /nfs/dbraw/zinc/08/22/75/325082275.db2.gz PVYNUVPEQYDIPS-UHFFFAOYSA-N -1 3 292.320 1.783 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)c1scnc1C1CC1 ZINC000582973156 325082277 /nfs/dbraw/zinc/08/22/77/325082277.db2.gz PVYNUVPEQYDIPS-UHFFFAOYSA-N -1 3 292.320 1.783 10 0 CDAEHM CN(C(=O)[C@@]1(C(=O)[O-])CC=CCC1)[C@@H]1CCN(C2CC2)C1 ZINC000653309675 482426055 /nfs/dbraw/zinc/42/60/55/482426055.db2.gz JEPNUPYITYKFCP-CZUORRHYSA-N -1 3 292.379 1.493 10 0 CDAEHM CCN(Cc1ncccc1C(=O)[O-])C[C@@H]1CCCO1 ZINC000302293515 482468203 /nfs/dbraw/zinc/46/82/03/482468203.db2.gz GQLXMWDXCBFWJM-NSHDSACASA-N -1 3 264.325 1.781 10 0 CDAEHM Cc1cccc(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)c1[O-] ZINC000683910272 482545330 /nfs/dbraw/zinc/54/53/30/482545330.db2.gz SLNNHCZDHZNCQA-CYBMUJFWSA-N -1 3 289.331 1.521 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N[C@](C)(CO)COC)c1 ZINC000681074292 482686993 /nfs/dbraw/zinc/68/69/93/482686993.db2.gz IFMNPKPITIMQNS-CQSZACIVSA-N -1 3 267.325 1.082 10 0 CDAEHM Cc1ccc(C(=O)N2CC(F)(F)C[C@H]2CO)c([O-])c1C ZINC000673222259 482713780 /nfs/dbraw/zinc/71/37/80/482713780.db2.gz WEPHGHGCKBCKIY-JTQLQIEISA-N -1 3 285.290 1.851 10 0 CDAEHM Cn1ncc(NC(=O)c2cccc3nn[n-]c32)c1C(F)F ZINC000682163787 483156151 /nfs/dbraw/zinc/15/61/51/483156151.db2.gz OWHRNEZCTMLRIJ-UHFFFAOYSA-N -1 3 292.249 1.881 10 0 CDAEHM Cn1ncc(NC(=O)c2cccc3[n-]nnc32)c1C(F)F ZINC000682163787 483156153 /nfs/dbraw/zinc/15/61/53/483156153.db2.gz OWHRNEZCTMLRIJ-UHFFFAOYSA-N -1 3 292.249 1.881 10 0 CDAEHM Cn1ncc(NC(=O)c2cccc3n[n-]nc32)c1C(F)F ZINC000682163787 483156157 /nfs/dbraw/zinc/15/61/57/483156157.db2.gz OWHRNEZCTMLRIJ-UHFFFAOYSA-N -1 3 292.249 1.881 10 0 CDAEHM C[C@H]1CCN(C(=O)c2cccc3[n-]nnc32)C[C@@H]1F ZINC000682168172 483159785 /nfs/dbraw/zinc/15/97/85/483159785.db2.gz YALWKZUQNFOPTG-WPRPVWTQSA-N -1 3 262.288 1.778 10 0 CDAEHM C[C@H]1CCN(C(=O)c2cccc3nn[n-]c32)C[C@@H]1F ZINC000682168172 483159791 /nfs/dbraw/zinc/15/97/91/483159791.db2.gz YALWKZUQNFOPTG-WPRPVWTQSA-N -1 3 262.288 1.778 10 0 CDAEHM C[C@H]1CCN(C(=O)c2cccc3n[n-]nc32)C[C@@H]1F ZINC000682168172 483159794 /nfs/dbraw/zinc/15/97/94/483159794.db2.gz YALWKZUQNFOPTG-WPRPVWTQSA-N -1 3 262.288 1.778 10 0 CDAEHM Cc1cc([N-]C(=O)[C@H](C)N2CC[C@@H](C)[C@@H](F)C2)on1 ZINC000679217722 483303186 /nfs/dbraw/zinc/30/31/86/483303186.db2.gz BCKZDWMOJOVRNU-MIMYLULJSA-N -1 3 269.320 1.990 10 0 CDAEHM O=C(CCCn1ccnc1)NCc1ncccc1[O-] ZINC000684350186 483305423 /nfs/dbraw/zinc/30/54/23/483305423.db2.gz HSGJNDXCJBDPPA-UHFFFAOYSA-N -1 3 260.297 1.080 10 0 CDAEHM CC(C)CN(CC(=O)[O-])C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000062744603 519710570 /nfs/dbraw/zinc/71/05/70/519710570.db2.gz STFZLHXCGYCTHH-LBPRGKRZSA-N -1 3 285.388 1.175 10 0 CDAEHM C[C@H](NC(N)=O)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000337645176 518183150 /nfs/dbraw/zinc/18/31/50/518183150.db2.gz HCUSNXARKAEHNH-QMMMGPOBSA-N -1 3 279.340 1.685 10 0 CDAEHM CCCN1CCN(c2nc(C)ccc2C(=O)[O-])CC1 ZINC000054532543 519860444 /nfs/dbraw/zinc/86/04/44/519860444.db2.gz GPCZKZWTQRIEEQ-UHFFFAOYSA-N -1 3 263.341 1.620 10 0 CDAEHM CCN(C(=O)N(C)[C@H]1CCCN(C)C1)[C@@H](C)CC(=O)[O-] ZINC000061214790 519943248 /nfs/dbraw/zinc/94/32/48/519943248.db2.gz 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O=C([O-])[C@H]1CCC[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000062750672 526324711 /nfs/dbraw/zinc/32/47/11/526324711.db2.gz ZXYGEETVDAOUCU-STQMWFEESA-N -1 3 275.352 1.457 10 0 CDAEHM O=C([O-])[C@H]1CCC[C@H]1N1CCN(CC2CC2)CC1 ZINC000062756259 526325250 /nfs/dbraw/zinc/32/52/50/526325250.db2.gz TWGSOWUKHDXWQJ-QWHCGFSZSA-N -1 3 252.358 1.267 10 0 CDAEHM Cc1nnc(SCC[C@@H]([NH2+]C(C)C)C(=O)[O-])[n-]1 ZINC000062602072 526532684 /nfs/dbraw/zinc/53/26/84/526532684.db2.gz FGQDSFGQHKVKDO-MRVPVSSYSA-N -1 3 258.347 1.047 10 0 CDAEHM Nc1nnc(C(=O)Nc2ccc(OC(F)(F)F)cc2)[n-]1 ZINC000055164110 527545972 /nfs/dbraw/zinc/54/59/72/527545972.db2.gz PPGONDGYBMSLSR-UHFFFAOYSA-N -1 3 287.201 1.538 10 0 CDAEHM Nc1n[n-]c(C(=O)Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000055164110 527545977 /nfs/dbraw/zinc/54/59/77/527545977.db2.gz PPGONDGYBMSLSR-UHFFFAOYSA-N -1 3 287.201 1.538 10 0 CDAEHM Nc1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2)n[n-]1 ZINC000055164110 527545984 /nfs/dbraw/zinc/54/59/84/527545984.db2.gz PPGONDGYBMSLSR-UHFFFAOYSA-N -1 3 287.201 1.538 10 0 CDAEHM Nc1nnc(C(=O)Nc2cccc(-n3cccc3)c2)[n-]1 ZINC000055166436 527546814 /nfs/dbraw/zinc/54/68/14/527546814.db2.gz QHUUJWXNAIDVPM-UHFFFAOYSA-N -1 3 268.280 1.430 10 0 CDAEHM Nc1n[n-]c(C(=O)Nc2cccc(-n3cccc3)c2)n1 ZINC000055166436 527546817 /nfs/dbraw/zinc/54/68/17/527546817.db2.gz QHUUJWXNAIDVPM-UHFFFAOYSA-N -1 3 268.280 1.430 10 0 CDAEHM Nc1nc(C(=O)Nc2cccc(-n3cccc3)c2)n[n-]1 ZINC000055166436 527546821 /nfs/dbraw/zinc/54/68/21/527546821.db2.gz QHUUJWXNAIDVPM-UHFFFAOYSA-N -1 3 268.280 1.430 10 0 CDAEHM O=C([O-])[C@@H](NCc1ccc(Br)o1)C1CC1 ZINC000054523461 527654436 /nfs/dbraw/zinc/65/44/36/527654436.db2.gz YNODSAGSQBKMLY-VIFPVBQESA-N -1 3 274.114 1.995 10 0 CDAEHM CCC[C@H](C)CS(=O)(=O)[N-]Cc1noc(C)n1 ZINC000173399876 535619568 /nfs/dbraw/zinc/61/95/68/535619568.db2.gz FAUMXHSPAQDEEN-QMMMGPOBSA-N -1 3 261.347 1.234 10 0 CDAEHM COc1cc(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cc(OC)c1[O-] ZINC000428088113 536511394 /nfs/dbraw/zinc/51/13/94/536511394.db2.gz QOELQOKVEOWDME-DDFAGTSDSA-N -1 3 277.320 1.938 10 0 CDAEHM COc1ccc(CNC(=O)c2cccc([O-])c2)c(OC)n1 ZINC000428068652 536890160 /nfs/dbraw/zinc/89/01/60/536890160.db2.gz GJPGQGSNVRPHNM-UHFFFAOYSA-N -1 3 288.303 1.734 10 0 CDAEHM CCc1cccc(C(=O)N2CCOC[C@H]2CCO)c1[O-] ZINC000770134797 575424966 /nfs/dbraw/zinc/42/49/66/575424966.db2.gz OPQFYLKPTRVUGY-GFCCVEGCSA-N -1 3 279.336 1.178 10 0 CDAEHM C[C@@H](O)C(C)(C)NC(=O)c1nnc2ccccc2c1[O-] ZINC000770439689 575450114 /nfs/dbraw/zinc/45/01/14/575450114.db2.gz UNZWIGXFPMEVAI-MRVPVSSYSA-N -1 3 275.308 1.225 10 0 CDAEHM CC(C)[C@@H]1C[C@H]1C(=O)OCc1nc2c(cnn2C)c(=O)[n-]1 ZINC000772493643 575709429 /nfs/dbraw/zinc/70/94/29/575709429.db2.gz RFRLBTBJPLGFRI-DTWKUNHWSA-N -1 3 290.323 1.404 10 0 CDAEHM CC(=O)CCN(C)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000768344842 576273435 /nfs/dbraw/zinc/27/34/35/576273435.db2.gz YFYPKTDKKSSUEI-UHFFFAOYSA-N -1 3 265.265 1.172 10 0 CDAEHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)[C@@H]2CCOC[C@@H]2C)on1 ZINC000769269537 576341291 /nfs/dbraw/zinc/34/12/91/576341291.db2.gz QDDUUUIQTDJIGJ-INTQDDNPSA-N -1 3 296.323 1.526 10 0 CDAEHM CN(C)c1ccc(NC(=O)[N-]OCC(F)F)cn1 ZINC000759953838 576447638 /nfs/dbraw/zinc/44/76/38/576447638.db2.gz OWLDAYPQWDSZNC-UHFFFAOYSA-N -1 3 260.244 1.466 10 0 CDAEHM CN(C)c1ccc(NC([O-])=NOCC(F)F)cn1 ZINC000759953838 576447635 /nfs/dbraw/zinc/44/76/35/576447635.db2.gz OWLDAYPQWDSZNC-UHFFFAOYSA-N -1 3 260.244 1.466 10 0 CDAEHM CCOC(=O)N1CCCN(Cc2nc(C)cc(=O)[n-]2)CC1 ZINC000761864402 576599546 /nfs/dbraw/zinc/59/95/46/576599546.db2.gz FRLPWGQFNAPOPG-UHFFFAOYSA-N -1 3 294.355 1.155 10 0 CDAEHM Cc1cnc(COC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)o1 ZINC000744966784 576707610 /nfs/dbraw/zinc/70/76/10/576707610.db2.gz IBHCBEOWBHKBQC-UHFFFAOYSA-N -1 3 286.243 1.224 10 0 CDAEHM CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)CCC(C)C ZINC000751983421 577080110 /nfs/dbraw/zinc/08/01/10/577080110.db2.gz WRFHPAZMYNSKMH-LBPRGKRZSA-N -1 3 291.413 1.684 10 0 CDAEHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000866876458 618173093 /nfs/dbraw/zinc/17/30/93/618173093.db2.gz KHDHPYCWIMRROV-SNVBAGLBSA-N -1 3 287.385 1.267 10 0 CDAEHM Cc1cc(CN2CC[C@@](O)(C(=O)[O-])C2)ccc1Cl ZINC000901900985 618350926 /nfs/dbraw/zinc/35/09/26/618350926.db2.gz ICRSRWAYYAFPTA-ZDUSSCGKSA-N -1 3 269.728 1.670 10 0 CDAEHM CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000909447774 619306876 /nfs/dbraw/zinc/30/68/76/619306876.db2.gz KAJRPXYULPNHMM-QWRGUYRKSA-N -1 3 256.346 1.229 10 0 CDAEHM CCOC(=O)c1nc([C@@H](C)NCc2ccncc2C)n[n-]1 ZINC000895239909 619480628 /nfs/dbraw/zinc/48/06/28/619480628.db2.gz WPRQKSJKHBELDT-SNVBAGLBSA-N -1 3 289.339 1.536 10 0 CDAEHM CCOC(=O)c1n[n-]c([C@@H](C)NCc2ccncc2C)n1 ZINC000895239909 619480630 /nfs/dbraw/zinc/48/06/30/619480630.db2.gz WPRQKSJKHBELDT-SNVBAGLBSA-N -1 3 289.339 1.536 10 0 CDAEHM CCOC(=O)c1nnc([C@@H](C)NCc2ccncc2C)[n-]1 ZINC000895239909 619480632 /nfs/dbraw/zinc/48/06/32/619480632.db2.gz WPRQKSJKHBELDT-SNVBAGLBSA-N -1 3 289.339 1.536 10 0 CDAEHM c1[n-][nH]c2ncnc(=NC[C@]3(c4ccccc4)CCCO3)c1-2 ZINC000896537193 620133051 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ICOFINLJRTZWQV-IUCAKERBSA-N -1 3 265.313 1.817 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)[C@@H]2CCC(C)(C)O2)[n-]1 ZINC000619446800 349718544 /nfs/dbraw/zinc/71/85/44/349718544.db2.gz YUJGVGVMGZGEJV-QMMMGPOBSA-N -1 3 281.312 1.483 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)[C@@H]2CCC(C)(C)O2)c[n-]1 ZINC000619446800 349718546 /nfs/dbraw/zinc/71/85/46/349718546.db2.gz YUJGVGVMGZGEJV-QMMMGPOBSA-N -1 3 281.312 1.483 10 0 CDAEHM O=C(N[C@H]1CCN(CC2CC2)C1)c1c([O-])cc(F)cc1F ZINC000108459412 349741033 /nfs/dbraw/zinc/74/10/33/349741033.db2.gz HLNKFSDVXIDWRX-NSHDSACASA-N -1 3 296.317 1.885 10 0 CDAEHM Cc1cnc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c([O-])c1 ZINC000408228617 358452372 /nfs/dbraw/zinc/45/23/72/358452372.db2.gz JCGJMPHXFVIMGY-NWDGAFQWSA-N -1 3 277.368 1.650 10 0 CDAEHM CCC(F)(F)CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000629450739 362054092 /nfs/dbraw/zinc/05/40/92/362054092.db2.gz NCNBZLGSXFYRLR-UHFFFAOYSA-N -1 3 297.261 1.737 10 0 CDAEHM O=C(NN=c1cccn[n-]1)[C@@H]1C[C@H]1c1cccnc1 ZINC000077030666 342326615 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COc1nnc(NC(=O)c2ccc(OC(C)(C)C)cn2)[n-]1 ZINC000294434616 199037904 /nfs/dbraw/zinc/03/79/04/199037904.db2.gz GABJTKBEBSOSAM-UHFFFAOYSA-N -1 3 291.311 1.638 10 0 CDAEHM COc1nc(NC(=O)c2ccc(OC(C)(C)C)cn2)n[n-]1 ZINC000294434616 199037906 /nfs/dbraw/zinc/03/79/06/199037906.db2.gz GABJTKBEBSOSAM-UHFFFAOYSA-N -1 3 291.311 1.638 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(OC(C)(C)C)cn2)n1 ZINC000294434616 199037907 /nfs/dbraw/zinc/03/79/07/199037907.db2.gz GABJTKBEBSOSAM-UHFFFAOYSA-N -1 3 291.311 1.638 10 0 CDAEHM CC(C)N1C[C@@H](C)[C@@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000188731113 357931227 /nfs/dbraw/zinc/93/12/27/357931227.db2.gz UZJHAGDGBQHCTQ-MNOVXSKESA-N -1 3 272.370 1.287 10 0 CDAEHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@]12CCC[C@H]1OCC2 ZINC000634737936 358123664 /nfs/dbraw/zinc/12/36/64/358123664.db2.gz CMHGVRIXMVECJY-ABAIWWIYSA-N -1 3 299.334 1.764 10 0 CDAEHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@]12CCC[C@H]1OCC2 ZINC000634737936 358123668 /nfs/dbraw/zinc/12/36/68/358123668.db2.gz CMHGVRIXMVECJY-ABAIWWIYSA-N 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PRHVWPNELIXVTO-ONGXEEELSA-N -1 3 273.354 1.539 10 0 CDAEHM Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]2O)c([O-])c1C ZINC000121093932 360111876 /nfs/dbraw/zinc/11/18/76/360111876.db2.gz IVRIAJPPBBVLQD-WCQYABFASA-N -1 3 263.337 1.900 10 0 CDAEHM Nc1ccc2ncn(-c3ccccc3[O-])c(=O)c2c1 ZINC000011848647 360346030 /nfs/dbraw/zinc/34/60/30/360346030.db2.gz BZMMYDVAVVPNNG-UHFFFAOYSA-N -1 3 253.261 1.674 10 0 CDAEHM CO[C@@]1(C(=O)Nc2ccc([O-])cc2F)CCOC1 ZINC000356219670 360346969 /nfs/dbraw/zinc/34/69/69/360346969.db2.gz MPPFSAXZDSLBHC-LBPRGKRZSA-N -1 3 255.245 1.275 10 0 CDAEHM COc1cccc(C(=O)N2CC[C@]3(CCOC3)C2)c1[O-] ZINC000155203922 360441094 /nfs/dbraw/zinc/44/10/94/360441094.db2.gz ZWDRGCPNMAVPML-HNNXBMFYSA-N -1 3 277.320 1.653 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000177586151 189058501 /nfs/dbraw/zinc/05/85/01/189058501.db2.gz MULOCLXJQDNNEJ-NSHDSACASA-N -1 3 288.307 1.257 10 0 CDAEHM O=c1[n-]c(-c2ccco2)nc2cc3c(cc12)OCO3 ZINC000515581154 360517488 /nfs/dbraw/zinc/51/74/88/360517488.db2.gz RPRPVDNFDVLFGG-UHFFFAOYSA-N -1 3 256.217 1.912 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@H]2CCCC2(C)C)c1 ZINC000408370595 360730992 /nfs/dbraw/zinc/73/09/92/360730992.db2.gz MZTZHORDVBQMMF-JTQLQIEISA-N -1 3 271.386 1.760 10 0 CDAEHM COc1cc(=NC(=O)N[C@@]2(C)CCCC[C@H]2C)[n-]n1C ZINC000582164838 360844993 /nfs/dbraw/zinc/84/49/93/360844993.db2.gz LVGMUJUMKUHURZ-YGRLFVJLSA-N -1 3 280.372 1.941 10 0 CDAEHM C[C@@H]1CC[C@H](NC(=O)c2cc(=O)[n-]c(N(C)C)n2)C[C@@H]1C ZINC000338867098 361086232 /nfs/dbraw/zinc/08/62/32/361086232.db2.gz PDTSQAKUFFBFMU-VWYCJHECSA-N -1 3 292.383 1.803 10 0 CDAEHM COC(=O)c1csc(S(=O)(=O)[N-]CC[C@H](C)F)c1 ZINC000339032500 361226407 /nfs/dbraw/zinc/22/64/07/361226407.db2.gz LPYJKVMZTHJWJC-ZETCQYMHSA-N -1 3 295.357 1.561 10 0 CDAEHM CCCc1nc(=NC(=O)NCc2cn[nH]c2C)s[n-]1 ZINC000350864779 361282949 /nfs/dbraw/zinc/28/29/49/361282949.db2.gz JHIFUMVFCVLUNT-UHFFFAOYSA-N -1 3 280.357 1.266 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@]2(CCOC2)C1 ZINC000456685800 363754768 /nfs/dbraw/zinc/75/47/68/363754768.db2.gz DPLXTRFLRAZMPO-OAHLLOKOSA-N -1 3 277.320 1.741 10 0 CDAEHM CCN=c1[n-]c(C(=O)N[C@@H]2C[C@@H](C)O[C@@H]2C)cs1 ZINC000634029656 361359835 /nfs/dbraw/zinc/35/98/35/361359835.db2.gz GZAVLDWSWZATCW-IWSPIJDZSA-N -1 3 269.370 1.293 10 0 CDAEHM COc1cc(C(=O)N2CCO[C@@H](CCF)C2)ccc1[O-] ZINC000629017391 361408974 /nfs/dbraw/zinc/40/89/74/361408974.db2.gz KRVQDTCFKGGXOK-NSHDSACASA-N -1 3 283.299 1.601 10 0 CDAEHM CC(C)C(=O)C[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000133658793 361420938 /nfs/dbraw/zinc/42/09/38/361420938.db2.gz BAJVFLLUJYQNNP-UHFFFAOYSA-N -1 3 277.292 1.468 10 0 CDAEHM CC1=C(C(=O)Nc2cc(-c3nccn3C)[n-]n2)CCCO1 ZINC000133953638 361476808 /nfs/dbraw/zinc/47/68/08/361476808.db2.gz CGJGJONOHTVAAZ-UHFFFAOYSA-N -1 3 287.323 1.833 10 0 CDAEHM CC1=C(C(=O)Nc2cc(-c3nccn3C)n[n-]2)CCCO1 ZINC000133953638 361476819 /nfs/dbraw/zinc/47/68/19/361476819.db2.gz CGJGJONOHTVAAZ-UHFFFAOYSA-N -1 3 287.323 1.833 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000629091678 361505760 /nfs/dbraw/zinc/50/57/60/361505760.db2.gz YXDMYFPLXHGLIX-ZUZCIYMTSA-N -1 3 277.320 1.332 10 0 CDAEHM Cc1cccc(C(=O)N[C@H]2CO[C@H](C3CC3)C2)c1[O-] ZINC000629136942 361609353 /nfs/dbraw/zinc/60/93/53/361609353.db2.gz CXNQIPUZZVIZAT-YPMHNXCESA-N -1 3 261.321 1.998 10 0 CDAEHM O=C(N[C@H]1CO[C@H](C2CC2)C1)c1c[n-]c2ccccc2c1=O ZINC000629138240 361634022 /nfs/dbraw/zinc/63/40/22/361634022.db2.gz YDRNKJCIGFGKLC-ABAIWWIYSA-N -1 3 298.342 1.825 10 0 CDAEHM Oc1ccc2c(c1)CN(c1nc3nncc-3c(O)[n-]1)CC2 ZINC000436947287 361617393 /nfs/dbraw/zinc/61/73/93/361617393.db2.gz GLHIARTXSQVKLV-UHFFFAOYSA-N -1 3 283.291 1.327 10 0 CDAEHM C[C@H]1NCCN(C(=O)Cc2ccccc2C(=O)[O-])[C@@H]1C ZINC000379456124 361679475 /nfs/dbraw/zinc/67/94/75/361679475.db2.gz OYBXAHVOCNPMQU-GHMZBOCLSA-N -1 3 276.336 1.136 10 0 CDAEHM C[C@H](CCO)N=c1cc(-c2ccccc2)n2[n-]cnc2n1 ZINC000631124668 364208406 /nfs/dbraw/zinc/20/84/06/364208406.db2.gz PHTLXQNLZKPWTR-LLVKDONJSA-N -1 3 283.335 1.396 10 0 CDAEHM O=C(N[C@H]1CCN(C2CCC2)C1=O)c1ccccc1[O-] ZINC000629928765 364188026 /nfs/dbraw/zinc/18/80/26/364188026.db2.gz DPHWDFYJBFVXPC-LBPRGKRZSA-N -1 3 274.320 1.275 10 0 CDAEHM CN(CC(=O)Nc1c([O-])cccc1F)C1CCC1 ZINC000629961061 364268952 /nfs/dbraw/zinc/26/89/52/364268952.db2.gz HMSNHBWGJVZRPH-UHFFFAOYSA-N -1 3 252.289 1.954 10 0 CDAEHM O=S(=O)(CC1CC1)[N-][C@@H](CO)c1c(F)cccc1F ZINC000269776564 364339262 /nfs/dbraw/zinc/33/92/62/364339262.db2.gz NXAZRWHKUJZYSD-NSHDSACASA-N -1 3 291.319 1.328 10 0 CDAEHM C[C@@H](O)C(C)(C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000167106576 364345906 /nfs/dbraw/zinc/34/59/06/364345906.db2.gz KEYIIXDTYHFNBG-SECBINFHSA-N -1 3 274.320 1.417 10 0 CDAEHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]2O)s1 ZINC000270185397 364490032 /nfs/dbraw/zinc/49/00/32/364490032.db2.gz JZMTVMQPGQDHIL-UWVGGRQHSA-N -1 3 290.410 1.199 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)c1 ZINC000161615089 364520189 /nfs/dbraw/zinc/52/01/89/364520189.db2.gz HCPBZHISXDQJNU-VIFPVBQESA-N -1 3 289.335 1.793 10 0 CDAEHM C/C=C\C[C@@H]([N-]S(=O)(=O)N(C)CCC)C(=O)OCC ZINC000361419745 364515155 /nfs/dbraw/zinc/51/51/55/364515155.db2.gz HDUYMTNAYPVUDJ-UIJKISKDSA-N -1 3 292.401 1.061 10 0 CDAEHM Cc1c2occ([O-])c2ccc1OC[C@H](O)COC(C)C ZINC000634560436 364656663 /nfs/dbraw/zinc/65/66/63/364656663.db2.gz IWIOWSHTPFICMG-LLVKDONJSA-N -1 3 280.320 1.735 10 0 CDAEHM Cn1cnnc1C[N-]C(=O)C(F)(F)c1ccccc1F ZINC000270754984 364740134 /nfs/dbraw/zinc/74/01/34/364740134.db2.gz BLOLSDNKUIRVAL-UHFFFAOYSA-N -1 3 284.241 1.362 10 0 CDAEHM CCC(C)(C)N[C@@H](C)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352989710 364698087 /nfs/dbraw/zinc/69/80/87/364698087.db2.gz RJOAIIPSYHTDCY-JQWIXIFHSA-N -1 3 294.399 1.788 10 0 CDAEHM O=C(CCOCC1CC1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352996493 364702042 /nfs/dbraw/zinc/70/20/42/364702042.db2.gz YRYQZYQUBSTBOI-LBPRGKRZSA-N -1 3 279.340 1.438 10 0 CDAEHM O=C(NCCc1ccsc1)c1cccc2nn[n-]c21 ZINC000187079320 364707074 /nfs/dbraw/zinc/70/70/74/364707074.db2.gz SMXQFHNRXVSJKE-UHFFFAOYSA-N -1 3 272.333 1.992 10 0 CDAEHM O=C(NCCc1ccsc1)c1cccc2[n-]nnc21 ZINC000187079320 364707078 /nfs/dbraw/zinc/70/70/78/364707078.db2.gz SMXQFHNRXVSJKE-UHFFFAOYSA-N -1 3 272.333 1.992 10 0 CDAEHM O=C(NCCc1ccsc1)c1cccc2n[n-]nc21 ZINC000187079320 364707080 /nfs/dbraw/zinc/70/70/80/364707080.db2.gz SMXQFHNRXVSJKE-UHFFFAOYSA-N -1 3 272.333 1.992 10 0 CDAEHM CCOC(=O)C[C@@H](C)CNC(=O)c1cccc(OC)c1[O-] ZINC000270697319 364711207 /nfs/dbraw/zinc/71/12/07/364711207.db2.gz WZGWMAYXJSBPRJ-SNVBAGLBSA-N -1 3 295.335 1.720 10 0 CDAEHM CN(C(=O)NCc1ccc([O-])c(F)c1)[C@H]1CCOC1 ZINC000163714240 364758029 /nfs/dbraw/zinc/75/80/29/364758029.db2.gz CRYNAZIRINGGCY-JTQLQIEISA-N -1 3 268.288 1.462 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000188087392 365008866 /nfs/dbraw/zinc/00/88/66/365008866.db2.gz NYGWTYZKBCRAAJ-SNVBAGLBSA-N -1 3 276.336 1.305 10 0 CDAEHM COCCN1CCC[C@H]1CNC(=O)c1ccc([O-])cc1F ZINC000181207557 365023215 /nfs/dbraw/zinc/02/32/15/365023215.db2.gz LGDNZZSWFRXGLG-NSHDSACASA-N -1 3 296.342 1.372 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)C(C)(C)O)c1 ZINC000272173716 365116040 /nfs/dbraw/zinc/11/60/40/365116040.db2.gz XAYXRCZJFSFEEG-UHFFFAOYSA-N -1 3 294.351 1.630 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CCc2c(C)noc2C)c1 ZINC000353315297 365131542 /nfs/dbraw/zinc/13/15/42/365131542.db2.gz PKQSCZITNYVBMK-UHFFFAOYSA-N -1 3 298.368 1.029 10 0 CDAEHM COc1nnc(NC(=O)Cc2ccc(Cl)nc2C)[n-]1 ZINC000272461153 365249002 /nfs/dbraw/zinc/24/90/02/365249002.db2.gz KJSCFVDFPGDYLJ-UHFFFAOYSA-N -1 3 281.703 1.351 10 0 CDAEHM COc1nc(NC(=O)Cc2ccc(Cl)nc2C)n[n-]1 ZINC000272461153 365249006 /nfs/dbraw/zinc/24/90/06/365249006.db2.gz KJSCFVDFPGDYLJ-UHFFFAOYSA-N -1 3 281.703 1.351 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2ccc(Cl)nc2C)n1 ZINC000272461153 365249011 /nfs/dbraw/zinc/24/90/11/365249011.db2.gz KJSCFVDFPGDYLJ-UHFFFAOYSA-N -1 3 281.703 1.351 10 0 CDAEHM C[C@H]1C[C@]2(CN1Cc1ccccc1)N[C@H](C(=O)[O-])CS2 ZINC000307130346 365377253 /nfs/dbraw/zinc/37/72/53/365377253.db2.gz ZAGJSIRUNJWLJP-WHOFXGATSA-N -1 3 292.404 1.767 10 0 CDAEHM COC[C@H](CNC(=O)c1cc2c(cc1[O-])CCCC2)OC ZINC000272932115 365449099 /nfs/dbraw/zinc/44/90/99/365449099.db2.gz LENOMQFZOYHIIZ-ZDUSSCGKSA-N -1 3 293.363 1.662 10 0 CDAEHM CC[C@@H](CN=c1[n-]c(C(=O)OC)c(C)s1)OC ZINC000336727714 365494783 /nfs/dbraw/zinc/49/47/83/365494783.db2.gz WBYUCYFFPHIRSV-QMMMGPOBSA-N -1 3 258.343 1.497 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@H]2C[C@H](C)N(C3CC3)C2)sc1C ZINC000357542579 367054417 /nfs/dbraw/zinc/05/44/17/367054417.db2.gz WDGGHOSRHOVKSB-WPRPVWTQSA-N -1 3 295.408 1.697 10 0 CDAEHM COc1cc(C(=O)NCC[C@H](C)[S@](C)=O)ccc1[O-] ZINC000357667055 367136351 /nfs/dbraw/zinc/13/63/51/367136351.db2.gz DAJKNPNXQVWUDE-UGZDLDLSSA-N -1 3 285.365 1.288 10 0 CDAEHM COc1cc(=NC(=O)[C@@H]2C[C@H]2CC(C)C)[n-]n1C ZINC000567014850 370859162 /nfs/dbraw/zinc/85/91/62/370859162.db2.gz PMMBSJFVOGKUIF-NXEZZACHSA-N -1 3 251.330 1.471 10 0 CDAEHM COC(=O)CC1(NC(=O)c2cccc([O-])c2)CCCC1 ZINC000280089817 367253804 /nfs/dbraw/zinc/25/38/04/367253804.db2.gz QRWDBFXIUAUMLF-UHFFFAOYSA-N -1 3 277.320 1.998 10 0 CDAEHM Cn1cc(NC(=O)c2cc([O-])ccc2Cl)nn1 ZINC000358068261 367405544 /nfs/dbraw/zinc/40/55/44/367405544.db2.gz ZJZMTDHZBNJYQM-UHFFFAOYSA-N -1 3 252.661 1.426 10 0 CDAEHM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2ccccc2[O-])CC1=O ZINC000369815628 367616512 /nfs/dbraw/zinc/61/65/12/367616512.db2.gz CQJJAYZKNUVTCR-SCVCMEIPSA-N -1 3 274.320 1.131 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)C[C@@H](C)O)o1 ZINC000358422190 367673628 /nfs/dbraw/zinc/67/36/28/367673628.db2.gz AZNGWAUSSZSQDM-RKDXNWHRSA-N -1 3 261.343 1.273 10 0 CDAEHM O=C([C@H]1CC=CCC1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282912358 368099583 /nfs/dbraw/zinc/09/95/83/368099583.db2.gz MZERRJSPQDQFPT-WDEREUQCSA-N -1 3 276.340 1.160 10 0 CDAEHM CC[C@H](NC(=O)c1c[n-]nn1)c1nc2ccccc2[nH]1 ZINC000340164379 368229330 /nfs/dbraw/zinc/22/93/30/368229330.db2.gz NAHNHDLRWCCWKW-QMMMGPOBSA-N -1 3 270.296 1.562 10 0 CDAEHM CC[C@H](NC(=O)c1cnn[n-]1)c1nc2ccccc2[nH]1 ZINC000340164379 368229336 /nfs/dbraw/zinc/22/93/36/368229336.db2.gz NAHNHDLRWCCWKW-QMMMGPOBSA-N -1 3 270.296 1.562 10 0 CDAEHM CC[C@H](NC(=O)c1cn[n-]n1)c1nc2ccccc2[nH]1 ZINC000340164379 368229337 /nfs/dbraw/zinc/22/93/37/368229337.db2.gz NAHNHDLRWCCWKW-QMMMGPOBSA-N -1 3 270.296 1.562 10 0 CDAEHM CC(C)C[C@H]1CCCCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000124683711 368218690 /nfs/dbraw/zinc/21/86/90/368218690.db2.gz HCRVIRAWRPVIFR-NEPJUHHUSA-N -1 3 295.383 1.402 10 0 CDAEHM CC(C)(C(=O)[O-])N1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000630226179 368536746 /nfs/dbraw/zinc/53/67/46/368536746.db2.gz CVWWWSXRKMJVTF-GDNZZTSVSA-N -1 3 280.368 1.040 10 0 CDAEHM CCC(O)(CC)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000330660379 203089274 /nfs/dbraw/zinc/08/92/74/203089274.db2.gz SDDJQNKQQGCWDT-UHFFFAOYSA-N -1 3 261.343 1.417 10 0 CDAEHM C[C@@H]1C[C@H]1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000170793268 369226466 /nfs/dbraw/zinc/22/64/66/369226466.db2.gz 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274.280 1.299 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-][C@@H](CO)C2CCC2)c1 ZINC000657056374 413880708 /nfs/dbraw/zinc/88/07/08/413880708.db2.gz XSQKSAXSESLJEN-JTQLQIEISA-N -1 3 275.395 1.496 10 0 CDAEHM CO[C@H](C(=O)Nc1ccc(C)cc1[O-])[C@H]1CCOC1 ZINC000665202613 413933702 /nfs/dbraw/zinc/93/37/02/413933702.db2.gz JUNQGZNYBMMQBX-GWCFXTLKSA-N -1 3 265.309 1.691 10 0 CDAEHM CC[C@H]1CCCCN1CCNC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663106506 413936170 /nfs/dbraw/zinc/93/61/70/413936170.db2.gz ZVMITYGVVGYIHA-STQMWFEESA-N -1 3 282.384 1.478 10 0 CDAEHM CCCCS(=O)(=O)[N-][C@H]1Cc2ccccc2N(C)C1=O ZINC000657071046 413904344 /nfs/dbraw/zinc/90/43/44/413904344.db2.gz MMMSWRHMUCAMDC-LBPRGKRZSA-N -1 3 296.392 1.294 10 0 CDAEHM CC(C)(C)N1CC[C@@H](NC(=O)[C@H](C(=O)[O-])C2CC2)C1 ZINC000663124999 413969087 /nfs/dbraw/zinc/96/90/87/413969087.db2.gz IMQVZCZNWJTXSQ-GHMZBOCLSA-N -1 3 268.357 1.086 10 0 CDAEHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cncc(F)c2)O1 ZINC000657154320 413987784 /nfs/dbraw/zinc/98/77/84/413987784.db2.gz 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/nfs/dbraw/zinc/05/21/19/271052119.db2.gz IIQLQUFWCQBZEN-UHFFFAOYSA-N -1 3 278.287 1.618 10 0 CDAEHM COc1ccc(C(C)(C)NC(=O)c2cn[n-]n2)cc1F ZINC000529848025 271052121 /nfs/dbraw/zinc/05/21/21/271052121.db2.gz IIQLQUFWCQBZEN-UHFFFAOYSA-N -1 3 278.287 1.618 10 0 CDAEHM COc1ccc(C(=O)N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c([O-])c1 ZINC000529986955 271086788 /nfs/dbraw/zinc/08/67/88/271086788.db2.gz NXFMQLVTSQSMOB-QSDJMHMYSA-N -1 3 279.336 1.943 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000529986599 271087259 /nfs/dbraw/zinc/08/72/59/271087259.db2.gz YGGULQCGUVUAEF-JXVAYASWSA-N -1 3 274.324 1.500 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000529986599 271087261 /nfs/dbraw/zinc/08/72/61/271087261.db2.gz YGGULQCGUVUAEF-JXVAYASWSA-N -1 3 274.324 1.500 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000529986599 271087266 /nfs/dbraw/zinc/08/72/66/271087266.db2.gz YGGULQCGUVUAEF-JXVAYASWSA-N -1 3 274.324 1.500 10 0 CDAEHM 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KYIXJYVYCKUNDJ-JTQLQIEISA-N -1 3 277.242 1.744 10 0 CDAEHM C[C@@](N)(C(=O)Nc1cc(F)c(F)cc1C(=O)[O-])C1CC1 ZINC000061564414 525748253 /nfs/dbraw/zinc/74/82/53/525748253.db2.gz XZDCOJNHYXJRRR-ZDUSSCGKSA-N -1 3 284.262 1.729 10 0 CDAEHM COc1cccc(C(=O)N2CC[C@@H](C)[C@@H](OC)C2)c1[O-] ZINC000187780996 525807087 /nfs/dbraw/zinc/80/70/87/525807087.db2.gz PXNVGKPWKQLZGQ-MFKMUULPSA-N -1 3 279.336 1.898 10 0 CDAEHM O=C([O-])[C@H]1CCCC[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000062750676 526319888 /nfs/dbraw/zinc/31/98/88/526319888.db2.gz SRVPCIQFZZOAGU-KBPBESRZSA-N -1 3 289.379 1.847 10 0 CDAEHM O=C([O-])c1ccccc1OCCCN1CCCOCC1 ZINC000062757078 526398180 /nfs/dbraw/zinc/39/81/80/526398180.db2.gz MXUSDHYBTNLACQ-UHFFFAOYSA-N -1 3 279.336 1.876 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1cnc2cnccc2c1 ZINC000337189858 526828604 /nfs/dbraw/zinc/82/86/04/526828604.db2.gz VYJMKPWFVULHDD-UHFFFAOYSA-N -1 3 280.287 1.660 10 0 CDAEHM O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cccc([O-])c1 ZINC000182461399 527026994 /nfs/dbraw/zinc/02/69/94/527026994.db2.gz OAFIONCLVCKHDY-ZDUSSCGKSA-N -1 3 298.346 1.581 10 0 CDAEHM O=C([O-])/C=C/c1ccc(OCCN2CC[C@@H](O)C2)cc1 ZINC000061711532 527547222 /nfs/dbraw/zinc/54/72/22/527547222.db2.gz IXRHRTMAGHHJRR-VUUYWXRKSA-N -1 3 277.320 1.230 10 0 CDAEHM O=C([O-])CCN1CCN(CCCOCC(F)(F)F)CC1 ZINC000049312903 527590620 /nfs/dbraw/zinc/59/06/20/527590620.db2.gz HZLANQFVVKWIAD-UHFFFAOYSA-N -1 3 298.305 1.048 10 0 CDAEHM CC[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C(=O)OC ZINC000412165776 535799960 /nfs/dbraw/zinc/79/99/60/535799960.db2.gz FGDFBLWXDMHREH-LLVKDONJSA-N -1 3 279.292 1.276 10 0 CDAEHM CO[C@H]1CC[C@H](NC(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000412288714 536766398 /nfs/dbraw/zinc/76/63/98/536766398.db2.gz ZUANBFAARRZLGY-RYUDHWBXSA-N -1 3 277.320 1.892 10 0 CDAEHM COCc1ccsc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000427154108 536810590 /nfs/dbraw/zinc/81/05/90/536810590.db2.gz GBRLBMVDFUSKIT-UHFFFAOYSA-N -1 3 295.320 1.656 10 0 CDAEHM CCN1CCO[C@H](C(=O)Nc2c([O-])cccc2F)C1 ZINC000089541313 538351863 /nfs/dbraw/zinc/35/18/63/538351863.db2.gz SBXRDKCUUBESEX-NSHDSACASA-N -1 3 268.288 1.191 10 0 CDAEHM C[C@H]1OCC[C@H]1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000092500874 538569264 /nfs/dbraw/zinc/56/92/64/538569264.db2.gz ZGNFYBTZUJSAPR-BXKDBHETSA-N -1 3 287.323 1.154 10 0 CDAEHM C[C@H]1OCC[C@H]1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000092500874 538569266 /nfs/dbraw/zinc/56/92/66/538569266.db2.gz ZGNFYBTZUJSAPR-BXKDBHETSA-N -1 3 287.323 1.154 10 0 CDAEHM COc1cccc(C(=O)NCc2cnn(C)c2C)c1[O-] ZINC000090475686 574421919 /nfs/dbraw/zinc/42/19/19/574421919.db2.gz XZXFZRQWRVJNNQ-UHFFFAOYSA-N -1 3 275.308 1.373 10 0 CDAEHM C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)CN1CC[C@@H](C)C1 ZINC000725803335 574437755 /nfs/dbraw/zinc/43/77/55/574437755.db2.gz IACOURZKQRJWNP-NEPJUHHUSA-N -1 3 276.384 1.556 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCC[C@@H]3COCC[C@H]32)n1 ZINC000761912266 576604865 /nfs/dbraw/zinc/60/48/65/576604865.db2.gz MQVUGGUQQJSNIS-VXGBXAGGSA-N -1 3 263.341 1.492 10 0 CDAEHM Cn1cc(S(=O)(=O)[N-]CCOC(C)(C)C)nc1Cl ZINC000769895011 575392629 /nfs/dbraw/zinc/39/26/29/575392629.db2.gz IYVJXYAJDQIYCC-UHFFFAOYSA-N -1 3 295.792 1.167 10 0 CDAEHM CCCN1CCC[C@@H]1C(=O)[N-]OC1CCOCC1 ZINC000772708675 575740040 /nfs/dbraw/zinc/74/00/40/575740040.db2.gz WGVOHJHRCJWBLG-GFCCVEGCSA-N -1 3 256.346 1.088 10 0 CDAEHM CCN(Cc1cnn(C)c1)Cc1nc(C)cc(=O)[n-]1 ZINC000761863473 576599425 /nfs/dbraw/zinc/59/94/25/576599425.db2.gz AQLPGLZCNQZEQM-UHFFFAOYSA-N -1 3 261.329 1.246 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)n1 ZINC000761875882 576601454 /nfs/dbraw/zinc/60/14/54/576601454.db2.gz YVWFCEYYBMAFQJ-KCJUWKMLSA-N -1 3 291.273 1.378 10 0 CDAEHM Cc1ccc([C@H]2COCCN2Cc2nc(C)cc(=O)[n-]2)o1 ZINC000761877198 576602496 /nfs/dbraw/zinc/60/24/96/576602496.db2.gz UTFPWKARZCLHMN-GFCCVEGCSA-N -1 3 289.335 1.966 10 0 CDAEHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1CCCN1C ZINC000747393092 576868102 /nfs/dbraw/zinc/86/81/02/576868102.db2.gz CNACGHGKXYLPMR-NSHDSACASA-N -1 3 292.383 1.438 10 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YZGQWACIWUBVHI-NSHDSACASA-N -1 3 287.410 1.349 10 0 CDAEHM COC[C@@H](NC(=O)c1ccc(C)cc1[O-])[C@H]1CCCOC1 ZINC000894850075 619098441 /nfs/dbraw/zinc/09/84/41/619098441.db2.gz LDFXRCQIOGSXTF-GXTWGEPZSA-N -1 3 293.363 1.872 10 0 CDAEHM C[C@H](CCC(=O)[O-])NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000909452776 619326848 /nfs/dbraw/zinc/32/68/48/619326848.db2.gz IVTATLLNXLIGRB-MXWKQRLJSA-N -1 3 256.346 1.229 10 0 CDAEHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccn(C)c3)c2c1=O ZINC000898027144 621295607 /nfs/dbraw/zinc/29/56/07/621295607.db2.gz CDDZYCFJOVRFBW-UHFFFAOYSA-N -1 3 299.334 1.644 10 0 CDAEHM O=C(CC(F)(F)F)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898211816 621366451 /nfs/dbraw/zinc/36/64/51/621366451.db2.gz WERSKZUQVWUZDR-ZCFIWIBFSA-N -1 3 263.219 1.384 10 0 CDAEHM O=C(c1ccc2c(c1)COC2)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898213273 621367230 /nfs/dbraw/zinc/36/72/30/621367230.db2.gz VAQXHSAQDGSQDV-LLVKDONJSA-N -1 3 299.330 1.775 10 0 CDAEHM O=C([C@@H]1CSCCS1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216489 621369026 /nfs/dbraw/zinc/36/90/26/621369026.db2.gz RZOSXEJPEXQIGH-SCZZXKLOSA-N -1 3 299.421 1.280 10 0 CDAEHM CC(=O)CCC(C)(C)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217368 621369646 /nfs/dbraw/zinc/36/96/46/621369646.db2.gz JPZCHQPVEYRRGU-LLVKDONJSA-N -1 3 293.367 1.827 10 0 CDAEHM CC[C@H](C)OCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898218127 621370924 /nfs/dbraw/zinc/37/09/24/621370924.db2.gz ZCNTXDOOIIWCHE-UWVGGRQHSA-N -1 3 267.329 1.246 10 0 CDAEHM Cc1ccn(C)c1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898220679 621372583 /nfs/dbraw/zinc/37/25/83/621372583.db2.gz DZAAZDULPWGKEB-JTQLQIEISA-N -1 3 274.324 1.392 10 0 CDAEHM O=C(c1conc1C1CC1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898220995 621373456 /nfs/dbraw/zinc/37/34/56/621373456.db2.gz GYIWSRQIKGODMW-SECBINFHSA-N -1 3 288.307 1.610 10 0 CDAEHM CC[C@H](C)CC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898221777 621409469 /nfs/dbraw/zinc/40/94/69/621409469.db2.gz PYTJEKUVTWGXKT-VHSXEESVSA-N -1 3 251.330 1.867 10 0 CDAEHM C[C@@H](C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)c1cncnc1 ZINC000898222382 621410803 /nfs/dbraw/zinc/41/08/03/621410803.db2.gz ULCGHCKLMFMQRR-ZJUUUORDSA-N -1 3 287.323 1.025 10 0 CDAEHM CN(C[C@@H]1CC1(C)C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000899019797 622021793 /nfs/dbraw/zinc/02/17/93/622021793.db2.gz PZRNVKPBIDVYCA-JTQLQIEISA-N -1 3 286.339 1.380 10 0 CDAEHM CN(C[C@@H]1CC1(C)C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000899019797 622021795 /nfs/dbraw/zinc/02/17/95/622021795.db2.gz PZRNVKPBIDVYCA-JTQLQIEISA-N -1 3 286.339 1.380 10 0 CDAEHM O=C(c1ccccc1[O-])N1CC[C@](CO)(C(F)(F)F)C1 ZINC000899619595 622332243 /nfs/dbraw/zinc/33/22/43/622332243.db2.gz OBRUCJHBOUDZOX-LBPRGKRZSA-N -1 3 289.253 1.779 10 0 CDAEHM O=C([N-]O[C@H]1CCCCO1)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000900466436 623097917 /nfs/dbraw/zinc/09/79/17/623097917.db2.gz CZFVIOPULBZQAD-YATPEIPISA-N -1 3 299.392 1.519 10 0 CDAEHM CC(C)(O)[C@H](O)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000901220759 623985741 /nfs/dbraw/zinc/98/57/41/623985741.db2.gz CQBQBRTVGPQKKN-SECBINFHSA-N -1 3 259.689 1.116 10 0 CDAEHM O=C([O-])[C@]1(NCc2cnn3c2CCC3)CCc2ccccc21 ZINC000901667045 624400945 /nfs/dbraw/zinc/40/09/45/624400945.db2.gz VTAKJAAXHIQPAF-KRWDZBQOSA-N -1 3 297.358 1.845 10 0 CDAEHM CC1(C)COC[C@@H]1N[C@@H](C(=O)[O-])c1ccccc1F ZINC000901748625 624435881 /nfs/dbraw/zinc/43/58/81/624435881.db2.gz JPRHFNZADRBDMG-NWDGAFQWSA-N -1 3 267.300 1.966 10 0 CDAEHM Cc1cc(F)c(CN[C@@H](CN(C)C)C(=O)[O-])c(Cl)c1 ZINC000904059656 626184386 /nfs/dbraw/zinc/18/43/86/626184386.db2.gz YYSCZSOLYJZCAB-LBPRGKRZSA-N -1 3 288.750 1.892 10 0 CDAEHM Cc1cccc([C@@H](NC[C@H](O)C(F)(F)F)C(=O)[O-])c1C ZINC000905395914 626809676 /nfs/dbraw/zinc/80/96/76/626809676.db2.gz QCRKKVGELXWENC-WDEREUQCSA-N -1 3 291.269 1.942 10 0 CDAEHM CN(C)C1(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)CCC1 ZINC000909971103 628787034 /nfs/dbraw/zinc/78/70/34/628787034.db2.gz YYVXVMCSWGKAMQ-LLVKDONJSA-N -1 3 268.357 1.088 10 0 CDAEHM CC(C)C[C@H](C)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000910177483 628897297 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1.212 10 0 CDAEHM Cc1ncc(CC(=O)Nc2cccc(Cc3nnn[n-]3)c2)o1 ZINC001450916869 967838864 /nfs/dbraw/zinc/83/88/64/967838864.db2.gz GPRALWPMHNGVAX-UHFFFAOYSA-N -1 3 298.306 1.268 10 0 CDAEHM Cc1ncc(CC(=O)Nc2cccc(Cc3nn[n-]n3)c2)o1 ZINC001450916869 967838870 /nfs/dbraw/zinc/83/88/70/967838870.db2.gz GPRALWPMHNGVAX-UHFFFAOYSA-N -1 3 298.306 1.268 10 0 CDAEHM C[C@@H](CNC(=O)[C@@H](C)CC(C)(C)C)NC(=O)c1cn[n-]n1 ZINC001452890017 968197923 /nfs/dbraw/zinc/19/79/23/968197923.db2.gz NINXYYMKZLYQSM-UWVGGRQHSA-N -1 3 295.387 1.112 10 0 CDAEHM CC[C@H](CCNCc1cn(C2CC2)cn1)C(=O)[O-] ZINC001353944353 968360902 /nfs/dbraw/zinc/36/09/02/968360902.db2.gz CTVROAHLJMMUMO-SNVBAGLBSA-N -1 3 251.330 1.809 10 0 CDAEHM C/C=C(/C)C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456388962 968957969 /nfs/dbraw/zinc/95/79/69/968957969.db2.gz VHPHUGYTDWAKTE-XSIKTDMUSA-N -1 3 262.235 1.967 10 0 CDAEHM O=C(NCc1cc(=O)c([O-])co1)c1snnc1C1CC1 ZINC001456744158 969035225 /nfs/dbraw/zinc/03/52/25/969035225.db2.gz 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ZINC000281733266 195357297 /nfs/dbraw/zinc/35/72/97/195357297.db2.gz GEXCLJOAPMSIGG-SFHVURJKSA-N -1 3 267.350 1.423 10 0 CDAEHM CN1C[C@H]2CCN(C(=O)c3c(F)ccc([O-])c3F)[C@H]2C1 ZINC000646914807 390298796 /nfs/dbraw/zinc/29/87/96/390298796.db2.gz CZCZDOHRQJGYDR-SCZZXKLOSA-N -1 3 282.290 1.447 10 0 CDAEHM CC(=O)c1cccc(NC(=O)[C@@H](O)C2CCC2)c1[O-] ZINC000573969243 390669727 /nfs/dbraw/zinc/66/97/27/390669727.db2.gz MRHKJJNLUJUPLH-LBPRGKRZSA-N -1 3 263.293 1.694 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CO[C@H](C3CC3)C2)o1 ZINC000625578100 390677051 /nfs/dbraw/zinc/67/70/51/390677051.db2.gz GLGWUXWDHYBGSN-QWRGUYRKSA-N -1 3 271.338 1.434 10 0 CDAEHM O=C(Cc1cnc2ccccc2c1)[N-]c1nnc2[nH]cnn12 ZINC000647738542 391031818 /nfs/dbraw/zinc/03/18/18/391031818.db2.gz XLIVDJNNZHKAFU-UHFFFAOYSA-N -1 3 293.290 1.182 10 0 CDAEHM O=C(CCc1cscn1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527500027 391023155 /nfs/dbraw/zinc/02/31/55/391023155.db2.gz PVCPMAPJRHUDST-NSHDSACASA-N -1 3 292.364 1.711 10 0 CDAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cscn2)CN1C1CC1 ZINC000520402537 390984130 /nfs/dbraw/zinc/98/41/30/390984130.db2.gz YQGAAZQDGDDOMQ-BDAKNGLRSA-N -1 3 287.410 1.047 10 0 CDAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@H]1COc2ccccc21 ZINC000526959705 391236729 /nfs/dbraw/zinc/23/67/29/391236729.db2.gz SWMWRAWZNJQBIZ-FZMZJTMJSA-N -1 3 299.330 1.798 10 0 CDAEHM COc1cc(C(=O)N[C@H]2C[C@@](C)(O)C2)ccc1[O-] ZINC000416273683 391245785 /nfs/dbraw/zinc/24/57/85/391245785.db2.gz ACGZWDBPISMPDM-SWZMTVOYSA-N -1 3 251.282 1.044 10 0 CDAEHM COc1cc(=NC(=O)Cc2ccsc2C)[n-]n1C ZINC000527047454 391256975 /nfs/dbraw/zinc/25/69/75/391256975.db2.gz KBEZMRVYCJMSLK-UHFFFAOYSA-N -1 3 265.338 1.402 10 0 CDAEHM CCOCC[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000416372234 391280022 /nfs/dbraw/zinc/28/00/22/391280022.db2.gz MIVQYLQBZMLXEV-SNVBAGLBSA-N -1 3 287.385 1.095 10 0 CDAEHM CCc1ccc(CN2CCC[C@@H]2c2nc(=N)n(C)[n-]2)nc1 ZINC000411678408 391503202 /nfs/dbraw/zinc/50/32/02/391503202.db2.gz TYNZBRHECVSNCP-CYBMUJFWSA-N -1 3 286.383 1.522 10 0 CDAEHM CCOc1nc2cc(C(=O)N[C@@H]3CC[C@H]3O)ccc2[n-]1 ZINC000425040883 391556246 /nfs/dbraw/zinc/55/62/46/391556246.db2.gz FXSRBRZVZGZROH-ZYHUDNBSSA-N -1 3 275.308 1.215 10 0 CDAEHM CCOc1nc2ccc(C(=O)N[C@@H]3CC[C@H]3O)cc2[n-]1 ZINC000425040883 391556251 /nfs/dbraw/zinc/55/62/51/391556251.db2.gz FXSRBRZVZGZROH-ZYHUDNBSSA-N -1 3 275.308 1.215 10 0 CDAEHM Cc1cccc(C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)c1[O-] ZINC000286077690 391574178 /nfs/dbraw/zinc/57/41/78/391574178.db2.gz WWBOKADDKSQRDM-WCQYABFASA-N -1 3 295.379 1.588 10 0 CDAEHM O=C(Nc1ccccc1[O-])c1cn(C[C@@H]2CCOC2)nn1 ZINC000528118471 391602183 /nfs/dbraw/zinc/60/21/83/391602183.db2.gz ZXWUKHRASNPOFL-JTQLQIEISA-N -1 3 288.307 1.273 10 0 CDAEHM CCO[C@@H]1C[C@@](NCc2cncnc2)(C(=O)[O-])C1(C)C ZINC000417588697 391685078 /nfs/dbraw/zinc/68/50/78/391685078.db2.gz PHAMVNLSMZUWQJ-BXUZGUMPSA-N -1 3 279.340 1.225 10 0 CDAEHM Cc1cnc(CCCc2nc(-c3cc(=O)[n-]cn3)no2)o1 ZINC000351376933 391691552 /nfs/dbraw/zinc/69/15/52/391691552.db2.gz 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324324786 /nfs/dbraw/zinc/32/47/86/324324786.db2.gz AYXUDPPRIMNTJT-UHFFFAOYSA-N -1 3 276.383 1.381 10 0 CDAEHM CCc1cccc(CN[C@H](C(=O)[O-])c2cnn(C)c2)c1 ZINC000580777423 324559101 /nfs/dbraw/zinc/55/91/01/324559101.db2.gz SPRBZPCIMWVMOL-AWEZNQCLSA-N -1 3 273.336 1.898 10 0 CDAEHM O=S(=O)([N-]Cc1ccc2c(c1)COC2)c1cscn1 ZINC000582961574 325077799 /nfs/dbraw/zinc/07/77/99/325077799.db2.gz CFPWYARLCUXAHT-UHFFFAOYSA-N -1 3 296.373 1.652 10 0 CDAEHM CCOc1nnc(NC(=O)c2ccccc2F)[n-]1 ZINC000228787141 1159908195 /nfs/dbraw/zinc/90/81/95/1159908195.db2.gz SSWSEDQPXXVMBS-UHFFFAOYSA-N -1 3 250.233 1.595 10 0 CDAEHM CCOc1nc(NC(=O)c2ccccc2F)n[n-]1 ZINC000228787141 1159908199 /nfs/dbraw/zinc/90/81/99/1159908199.db2.gz SSWSEDQPXXVMBS-UHFFFAOYSA-N -1 3 250.233 1.595 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2ccccc2F)n1 ZINC000228787141 1159908207 /nfs/dbraw/zinc/90/82/07/1159908207.db2.gz SSWSEDQPXXVMBS-UHFFFAOYSA-N -1 3 250.233 1.595 10 0 CDAEHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H]1CCCC1(F)F ZINC000672499347 482563246 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C[C@@H]1NCCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)[C@H]1C ZINC001330680100 956561838 /nfs/dbraw/zinc/56/18/38/956561838.db2.gz FBCUSKALPBKMAL-OHINUGQQSA-N -1 3 278.308 1.200 10 0 CDAEHM C[C@@H](CCCNCc1n[nH]c(=O)[n-]1)NC(=O)CC(C)(C)C ZINC001330743361 956603465 /nfs/dbraw/zinc/60/34/65/956603465.db2.gz UJTCVQMAAAXCKX-JTQLQIEISA-N -1 3 297.403 1.321 10 0 CDAEHM O=C(N[C@@H]1C=CCCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC001331917145 957334418 /nfs/dbraw/zinc/33/44/18/957334418.db2.gz SYCPAWSVPHSRPP-SNVBAGLBSA-N -1 3 270.296 1.100 10 0 CDAEHM O=C(N[C@@H]1C=CCCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC001331917145 957334427 /nfs/dbraw/zinc/33/44/27/957334427.db2.gz SYCPAWSVPHSRPP-SNVBAGLBSA-N -1 3 270.296 1.100 10 0 CDAEHM COc1nnc(NC(=O)c2cccc(-n3ccc(C)n3)c2)[n-]1 ZINC001319907194 958778923 /nfs/dbraw/zinc/77/89/23/958778923.db2.gz TUQBTILZMBKXTD-UHFFFAOYSA-N -1 3 298.306 1.560 10 0 CDAEHM COc1nc(NC(=O)c2cccc(-n3ccc(C)n3)c2)n[n-]1 ZINC001319907194 958778941 /nfs/dbraw/zinc/77/89/41/958778941.db2.gz 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/nfs/dbraw/zinc/93/26/88/344932688.db2.gz CVFJLWCZVSJQMB-ZWNOBZJWSA-N -1 3 265.309 1.174 10 0 CDAEHM COc1ccc(C(=O)NC[C@H](OC)[C@H]2CCOC2)c([O-])c1 ZINC000617148656 344933630 /nfs/dbraw/zinc/93/36/30/344933630.db2.gz USIAETGQDKHSSK-HZMBPMFUSA-N -1 3 295.335 1.182 10 0 CDAEHM COC[C@H](CCNC(=O)c1cc(OC)ccc1[O-])OC ZINC000617231570 345041021 /nfs/dbraw/zinc/04/10/21/345041021.db2.gz OPLXCWYYALPIRA-NSHDSACASA-N -1 3 283.324 1.182 10 0 CDAEHM Cc1ccc(C(=O)N2CC[C@H](Cn3ccnn3)C2)c([O-])c1 ZINC000617258374 345076922 /nfs/dbraw/zinc/07/69/22/345076922.db2.gz GZBUKYNMUIAYTB-LBPRGKRZSA-N -1 3 286.335 1.454 10 0 CDAEHM Brc1cc(Cc2nnn[n-]2)cc2c1OCCO2 ZINC000095103315 345115009 /nfs/dbraw/zinc/11/50/09/345115009.db2.gz ZWJITYTVUPZCSJ-UHFFFAOYSA-N -1 3 297.112 1.324 10 0 CDAEHM Brc1cc(Cc2nn[n-]n2)cc2c1OCCO2 ZINC000095103315 345115010 /nfs/dbraw/zinc/11/50/10/345115010.db2.gz ZWJITYTVUPZCSJ-UHFFFAOYSA-N -1 3 297.112 1.324 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@H](CO)C2CCC2)c1 ZINC000617301681 345137061 /nfs/dbraw/zinc/13/70/61/345137061.db2.gz ZAQICLWRAQTNAB-GFCCVEGCSA-N -1 3 265.309 1.292 10 0 CDAEHM COC[C@@H](NC(=O)c1cccc(OC)c1[O-])C(C)C ZINC000086702414 345492357 /nfs/dbraw/zinc/49/23/57/345492357.db2.gz BPWWLNDHROKMMI-LLVKDONJSA-N -1 3 267.325 1.802 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2CCc3ccccc3C2)[n-]1 ZINC000223545403 346478656 /nfs/dbraw/zinc/47/86/56/346478656.db2.gz SZIWAWLLJGOBAX-LLVKDONJSA-N -1 3 272.308 1.557 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2CCc3ccccc3C2)n[n-]1 ZINC000223545403 346478659 /nfs/dbraw/zinc/47/86/59/346478659.db2.gz SZIWAWLLJGOBAX-LLVKDONJSA-N -1 3 272.308 1.557 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2CCc3ccccc3C2)n1 ZINC000223545403 346478661 /nfs/dbraw/zinc/47/86/61/346478661.db2.gz SZIWAWLLJGOBAX-LLVKDONJSA-N -1 3 272.308 1.557 10 0 CDAEHM C[C@H](C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)[C@@H](N)c1ccccc1 ZINC000226848502 346523015 /nfs/dbraw/zinc/52/30/15/346523015.db2.gz PUSMEVGAKCAOOO-ZMJPVWNMSA-N -1 3 290.363 1.502 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)SC[C@H]2CN(C)CCO2)n1 ZINC000566215131 370650005 /nfs/dbraw/zinc/65/00/05/370650005.db2.gz WDAMJLJBSAXNSO-GHMZBOCLSA-N -1 3 283.397 1.615 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl ZINC000085810904 179177316 /nfs/dbraw/zinc/17/73/16/179177316.db2.gz GWGJGSKMFFIRQN-SSDOTTSWSA-N -1 3 277.107 1.734 10 0 CDAEHM CC[C@@H](NC(=O)[C@@H](N)CCC(=O)[O-])c1ccccc1OC ZINC000085819452 179181944 /nfs/dbraw/zinc/18/19/44/179181944.db2.gz AMABTXYHHJVGOX-NWDGAFQWSA-N -1 3 294.351 1.455 10 0 CDAEHM CN(Cc1ccc(Cl)cc1)C(=O)[C@H](N)CC(=O)[O-] ZINC000085815773 179179169 /nfs/dbraw/zinc/17/91/69/179179169.db2.gz GFQQWAZWXSWWAE-SNVBAGLBSA-N -1 3 270.716 1.100 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)Nc1ccc(Cl)c2cccnc12 ZINC000085815021 179179565 /nfs/dbraw/zinc/17/95/65/179179565.db2.gz RIAUXFKOLZGCBH-SECBINFHSA-N -1 3 293.710 1.629 10 0 CDAEHM C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@H](N)CC(=O)[O-] ZINC000085815817 179180161 /nfs/dbraw/zinc/18/01/61/179180161.db2.gz KJDSDAVPWBYBJG-MWLCHTKSSA-N -1 3 290.319 1.754 10 0 CDAEHM C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@@H](N)CC(=O)[O-] ZINC000085815921 179180201 /nfs/dbraw/zinc/18/02/01/179180201.db2.gz RKASXEOKYBZTHA-KWQFWETISA-N -1 3 284.743 1.661 10 0 CDAEHM Cc1ccc([C@@H](C)N(C)C(=O)[C@@H](N)CC(=O)[O-])cc1 ZINC000085815914 179180309 /nfs/dbraw/zinc/18/03/09/179180309.db2.gz WJTSCBRUSNCHBI-PWSUYJOCSA-N -1 3 264.325 1.316 10 0 CDAEHM N[C@@H](CCC(=O)[O-])C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000085818477 179181157 /nfs/dbraw/zinc/18/11/57/179181157.db2.gz DXWJWPVYCHGOLR-VIFPVBQESA-N -1 3 290.241 1.836 10 0 CDAEHM N[C@@H](C(=O)[O-])[C@@H](O)c1ccc(Br)cc1Cl ZINC000161042672 347412749 /nfs/dbraw/zinc/41/27/49/347412749.db2.gz FTYOQJCWKAYHID-SFYZADRCSA-N -1 3 294.532 1.548 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)n[n-]1 ZINC000450550948 362834003 /nfs/dbraw/zinc/83/40/03/362834003.db2.gz YUVLQCMNFXPEHR-DJLDLDEBSA-N -1 3 252.318 1.824 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)[n-]1 ZINC000450550948 362834006 /nfs/dbraw/zinc/83/40/06/362834006.db2.gz YUVLQCMNFXPEHR-DJLDLDEBSA-N -1 3 252.318 1.824 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)n1 ZINC000450550948 362834010 /nfs/dbraw/zinc/83/40/10/362834010.db2.gz YUVLQCMNFXPEHR-DJLDLDEBSA-N -1 3 252.318 1.824 10 0 CDAEHM O=C(NCC(O)(C1CC1)C1CC1)c1csc(=O)[n-]1 ZINC000619030341 347691387 /nfs/dbraw/zinc/69/13/87/347691387.db2.gz JFDWKMWLTJSNDP-UHFFFAOYSA-N -1 3 268.338 1.130 10 0 CDAEHM O=C(NCC(O)(C1CC1)C1CC1)c1ccc(O)cc1[O-] ZINC000619031717 347693146 /nfs/dbraw/zinc/69/31/46/347693146.db2.gz ZRYVBBBGAVYXCT-UHFFFAOYSA-N -1 3 277.320 1.379 10 0 CDAEHM COC[C@](C)(CCO)NC(=O)c1cc(SC)ccc1[O-] ZINC000613300775 347670613 /nfs/dbraw/zinc/67/06/13/347670613.db2.gz MJBGWBVGOSAJDE-AWEZNQCLSA-N -1 3 299.392 1.631 10 0 CDAEHM CC(=O)c1ccc(C(=O)N(C)CCCCO)cc1[O-] ZINC000613880958 347936029 /nfs/dbraw/zinc/93/60/29/347936029.db2.gz VUQRZCRMMDNHSH-UHFFFAOYSA-N -1 3 265.309 1.439 10 0 CDAEHM COc1ccc(NC(=O)CCc2cn(C)nn2)c([O-])c1 ZINC000613833267 347918656 /nfs/dbraw/zinc/91/86/56/347918656.db2.gz ZCJKBHXQKAYSJV-UHFFFAOYSA-N -1 3 276.296 1.101 10 0 CDAEHM CC1(C)CC(CC(=O)NCCCc2cc(=O)[nH][n-]2)C1 ZINC000614915671 348271157 /nfs/dbraw/zinc/27/11/57/348271157.db2.gz ZLGODSLWJZBANQ-UHFFFAOYSA-N -1 3 265.357 1.585 10 0 CDAEHM CC(C)(C)C1CC(C(=O)[N-]c2nnc3[nH]cnn23)C1 ZINC000614996015 348297720 /nfs/dbraw/zinc/29/77/20/348297720.db2.gz FYSXRVUCNFWNCL-UHFFFAOYSA-N -1 3 262.317 1.463 10 0 CDAEHM Cn1nccc1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000024650431 348547511 /nfs/dbraw/zinc/54/75/11/348547511.db2.gz RDQRDXOTLCUULE-UHFFFAOYSA-N -1 3 282.303 1.192 10 0 CDAEHM CCOC(=O)c1nnc(CNC(=O)C(CC)CC)[n-]1 ZINC000615919320 348998873 /nfs/dbraw/zinc/99/88/73/348998873.db2.gz DPHVZXDGOVDMLC-UHFFFAOYSA-N -1 3 268.317 1.034 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CCC3(COC3)C2)c1 ZINC000620298193 350126881 /nfs/dbraw/zinc/12/68/81/350126881.db2.gz BAWFCYCORMHONJ-UHFFFAOYSA-N -1 3 263.293 1.263 10 0 CDAEHM COc1nnc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)[n-]1 ZINC000271323026 191072413 /nfs/dbraw/zinc/07/24/13/191072413.db2.gz XRNNYFHGPFGREQ-UWVGGRQHSA-N -1 3 276.271 1.695 10 0 CDAEHM COc1nc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)n[n-]1 ZINC000271323026 191072415 /nfs/dbraw/zinc/07/24/15/191072415.db2.gz XRNNYFHGPFGREQ-UWVGGRQHSA-N -1 3 276.271 1.695 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)n1 ZINC000271323026 191072417 /nfs/dbraw/zinc/07/24/17/191072417.db2.gz XRNNYFHGPFGREQ-UWVGGRQHSA-N -1 3 276.271 1.695 10 0 CDAEHM COC(=O)c1cc(Cl)ccc1OCCCc1nnn[n-]1 ZINC000091690865 180227157 /nfs/dbraw/zinc/22/71/57/180227157.db2.gz INPIAFUTLVVUMC-UHFFFAOYSA-N -1 3 296.714 1.651 10 0 CDAEHM COC(=O)c1cc(Cl)ccc1OCCCc1nn[n-]n1 ZINC000091690865 180227159 /nfs/dbraw/zinc/22/71/59/180227159.db2.gz INPIAFUTLVVUMC-UHFFFAOYSA-N -1 3 296.714 1.651 10 0 CDAEHM CC(C)NC(=O)CC[S@](=O)c1ccc([O-])cc1 ZINC000108084994 186203601 /nfs/dbraw/zinc/20/36/01/186203601.db2.gz LUIASCYMMAELNT-QGZVFWFLSA-N -1 3 255.339 1.415 10 0 CDAEHM CC1(C)CC[C@@H]1C(=O)Nc1nnc(SCCO)[n-]1 ZINC000621915799 350855046 /nfs/dbraw/zinc/85/50/46/350855046.db2.gz OHRDDQVDURLZNI-SSDOTTSWSA-N -1 3 270.358 1.264 10 0 CDAEHM CC1(C)CC[C@@H]1C(=O)Nc1nc(SCCO)n[n-]1 ZINC000621915799 350855049 /nfs/dbraw/zinc/85/50/49/350855049.db2.gz OHRDDQVDURLZNI-SSDOTTSWSA-N -1 3 270.358 1.264 10 0 CDAEHM CC1(C)CC[C@@H]1C(=O)Nc1n[n-]c(SCCO)n1 ZINC000621915799 350855052 /nfs/dbraw/zinc/85/50/52/350855052.db2.gz OHRDDQVDURLZNI-SSDOTTSWSA-N -1 3 270.358 1.264 10 0 CDAEHM CCc1ncc(CNC(=O)c2cc(F)c[n-]c2=O)o1 ZINC000622093377 350990102 /nfs/dbraw/zinc/99/01/02/350990102.db2.gz IXLPNNDVAGQYAD-UHFFFAOYSA-N -1 3 265.244 1.407 10 0 CDAEHM CO[C@H]1C[C@@H](N(C)C(=O)c2cc(F)c[n-]c2=O)C1 ZINC000622046653 350951453 /nfs/dbraw/zinc/95/14/53/350951453.db2.gz BNELXLXMQWKVMH-DTORHVGOSA-N -1 3 254.261 1.176 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)CCC(F)(F)F)[C@H](O)C(F)F ZINC000451705603 363078545 /nfs/dbraw/zinc/07/85/45/363078545.db2.gz FOVOORFURVAKQV-RITPCOANSA-N -1 3 299.261 1.263 10 0 CDAEHM COc1cccc(C(=O)NC[C@H]2CSCCS2)c1[O-] ZINC000122689018 187046240 /nfs/dbraw/zinc/04/62/40/187046240.db2.gz CWICSXFHANVAFK-VIFPVBQESA-N -1 3 299.417 1.979 10 0 CDAEHM O=C(NCCC1=CCCC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000152501196 188024809 /nfs/dbraw/zinc/02/48/09/188024809.db2.gz KINHJMLLVAYIOU-UHFFFAOYSA-N -1 3 284.315 1.800 10 0 CDAEHM CN1CCC[C@H]1C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000271681751 191273385 /nfs/dbraw/zinc/27/33/85/191273385.db2.gz CPOUTNBCXPGTDX-VIFPVBQESA-N -1 3 290.335 1.337 10 0 CDAEHM COc1cccc(C(=O)NCC(=O)OC(C)(C)C)c1[O-] ZINC000265216521 363267579 /nfs/dbraw/zinc/26/75/79/363267579.db2.gz VYKUCXAXBGNKLQ-UHFFFAOYSA-N -1 3 281.308 1.472 10 0 CDAEHM NC(=O)c1csc(=NCC2(c3ccccn3)CCC2)[n-]1 ZINC000569998539 363274847 /nfs/dbraw/zinc/27/48/47/363274847.db2.gz OWVOPYDIQPUFDT-UHFFFAOYSA-N -1 3 288.376 1.593 10 0 CDAEHM CC1(C)OCC[C@@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000336292939 363308577 /nfs/dbraw/zinc/30/85/77/363308577.db2.gz GOBLMCAHOCPEJX-LBPRGKRZSA-N -1 3 267.300 1.758 10 0 CDAEHM CCO[C@@H](CS(=O)(=O)[N-]Cc1conc1C)C1CC1 ZINC000632397862 366189331 /nfs/dbraw/zinc/18/93/31/366189331.db2.gz PZMQUVDKJRVBPO-LBPRGKRZSA-N -1 3 288.369 1.218 10 0 CDAEHM CCN1CC[C@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000336354922 363390602 /nfs/dbraw/zinc/39/06/02/363390602.db2.gz GLFCQLPDOBSSFA-JTQLQIEISA-N -1 3 272.345 1.198 10 0 CDAEHM CN1CCC[C@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000228840021 538299378 /nfs/dbraw/zinc/29/93/78/538299378.db2.gz GKXPJRBUFOPFIX-VIFPVBQESA-N -1 3 252.289 1.355 10 0 CDAEHM COc1cc(C(=O)NC[C@H](O)C(C)C)ccc1[O-] ZINC000272667014 191853834 /nfs/dbraw/zinc/85/38/34/191853834.db2.gz UVMYSWLJCCDKGT-NSHDSACASA-N -1 3 253.298 1.148 10 0 CDAEHM O=C1C[C@]2(CCOC2)C(=O)[N-]N1c1ccc(F)c(Cl)c1 ZINC000634596973 356522338 /nfs/dbraw/zinc/52/23/38/356522338.db2.gz XULQUIOTOSRARL-ZDUSSCGKSA-N -1 3 298.701 1.654 10 0 CDAEHM Cc1cc(-c2[n-]nnc2C(=O)OC(C)(C)C)cnn1 ZINC000725266443 538456414 /nfs/dbraw/zinc/45/64/14/538456414.db2.gz ZGCNICCEOQCTDX-UHFFFAOYSA-N -1 3 261.285 1.525 10 0 CDAEHM Cc1cc(-c2nn[n-]c2C(=O)OC(C)(C)C)cnn1 ZINC000725266443 538456417 /nfs/dbraw/zinc/45/64/17/538456417.db2.gz ZGCNICCEOQCTDX-UHFFFAOYSA-N -1 3 261.285 1.525 10 0 CDAEHM Cc1cc(-c2n[n-]nc2C(=O)OC(C)(C)C)cnn1 ZINC000725266443 538456420 /nfs/dbraw/zinc/45/64/20/538456420.db2.gz ZGCNICCEOQCTDX-UHFFFAOYSA-N -1 3 261.285 1.525 10 0 CDAEHM CC1(C)[C@@H]2C(=O)N(c3cc(F)cc(F)c3F)[N-]C(=O)[C@@H]21 ZINC000634633533 356607332 /nfs/dbraw/zinc/60/73/32/356607332.db2.gz ZIQXTTZUWFHVNY-BDAKNGLRSA-N -1 3 284.237 1.754 10 0 CDAEHM COc1ccc(C(=O)N(C)[C@H]2CN3CCC2CC3)c([O-])c1 ZINC000387503957 356675233 /nfs/dbraw/zinc/67/52/33/356675233.db2.gz UFOIZNOPPWIYEY-AWEZNQCLSA-N -1 3 290.363 1.567 10 0 CDAEHM CN(CC(=O)OC(C)(C)C)C(=O)c1cccc([O-])c1 ZINC000182280854 357428129 /nfs/dbraw/zinc/42/81/29/357428129.db2.gz VOHWCGPSCOLGAI-UHFFFAOYSA-N -1 3 265.309 1.806 10 0 CDAEHM COCC[C@H](COC)NC(=O)c1ccccc1[O-] ZINC000311142385 357495276 /nfs/dbraw/zinc/49/52/76/357495276.db2.gz YWFMDCLLTBRUAB-SNVBAGLBSA-N -1 3 253.298 1.174 10 0 CDAEHM CC(C)C[C@@H](C)C(=O)Nc1nnc(SCCO)[n-]1 ZINC000185468498 357546525 /nfs/dbraw/zinc/54/65/25/357546525.db2.gz GWHRZCACIGPZSI-MRVPVSSYSA-N -1 3 272.374 1.510 10 0 CDAEHM CC(C)C[C@@H](C)C(=O)Nc1nc(SCCO)n[n-]1 ZINC000185468498 357546530 /nfs/dbraw/zinc/54/65/30/357546530.db2.gz GWHRZCACIGPZSI-MRVPVSSYSA-N -1 3 272.374 1.510 10 0 CDAEHM CC(C)C[C@@H](C)C(=O)Nc1n[n-]c(SCCO)n1 ZINC000185468498 357546533 /nfs/dbraw/zinc/54/65/33/357546533.db2.gz GWHRZCACIGPZSI-MRVPVSSYSA-N -1 3 272.374 1.510 10 0 CDAEHM N[C@@H](CC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000057966055 357546729 /nfs/dbraw/zinc/54/67/29/357546729.db2.gz HYUXUFOOPRICFB-QMMMGPOBSA-N -1 3 272.098 1.434 10 0 CDAEHM CCOc1nc2cc(C(=O)N3CC(C)(CO)C3)ccc2[n-]1 ZINC000456234292 363588171 /nfs/dbraw/zinc/58/81/71/363588171.db2.gz BNEUOSKLVZLVAA-UHFFFAOYSA-N -1 3 289.335 1.416 10 0 CDAEHM CCOc1nc2ccc(C(=O)N3CC(C)(CO)C3)cc2[n-]1 ZINC000456234292 363588177 /nfs/dbraw/zinc/58/81/77/363588177.db2.gz BNEUOSKLVZLVAA-UHFFFAOYSA-N -1 3 289.335 1.416 10 0 CDAEHM O=c1[n-]c(C2CC2)nc2c1CN(CCOC1CC1)C2 ZINC001620550853 1172235700 /nfs/dbraw/zinc/23/57/00/1172235700.db2.gz ATTKDEUBVGOUTO-UHFFFAOYSA-N -1 3 261.325 1.554 10 0 CDAEHM CCc1ccc(C(=O)N2CCN3CCOC[C@H]3C2)c([O-])c1 ZINC000364287177 358154293 /nfs/dbraw/zinc/15/42/93/358154293.db2.gz ZVVRBGSIGFDMBS-CYBMUJFWSA-N -1 3 290.363 1.111 10 0 CDAEHM C[C@@H]1CCN(S(=O)(=O)Nc2cc([O-])cc(F)c2)C1 ZINC000408137516 358176175 /nfs/dbraw/zinc/17/61/75/358176175.db2.gz JMGASFJOZSJFNN-MRVPVSSYSA-N -1 3 274.317 1.530 10 0 CDAEHM [O-]c1cc(CN2CCOC[C@H](O)C2)cc(C(F)(F)F)c1 ZINC000294868657 199221945 /nfs/dbraw/zinc/22/19/45/199221945.db2.gz UNPCUHFGTCEUCK-GFCCVEGCSA-N -1 3 291.269 1.604 10 0 CDAEHM COCCOC1CCN(Cc2nc(C)ccc2[O-])CC1 ZINC000093339390 358601257 /nfs/dbraw/zinc/60/12/57/358601257.db2.gz FQLFCXVNIIAZNW-UHFFFAOYSA-N -1 3 280.368 1.723 10 0 CDAEHM Cc1ccn2ncc(C(=O)Nc3nc(C)ccc3[O-])c2n1 ZINC000345922774 358965624 /nfs/dbraw/zinc/96/56/24/358965624.db2.gz GHYLQBSNMKKBQP-UHFFFAOYSA-N -1 3 283.291 1.699 10 0 CDAEHM CN(CCCC(=O)[O-])CC(=O)N(C)Cc1ccccc1F ZINC000042717916 358974639 /nfs/dbraw/zinc/97/46/39/358974639.db2.gz FNKKAIGLKWDSJY-UHFFFAOYSA-N -1 3 296.342 1.581 10 0 CDAEHM C[C@@H]1CC(C)(C)CN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000335225545 359066524 /nfs/dbraw/zinc/06/65/24/359066524.db2.gz QFMVDMKWAPFLII-LLVKDONJSA-N -1 3 290.363 1.769 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@@H]23)o1 ZINC000408411998 359745301 /nfs/dbraw/zinc/74/53/01/359745301.db2.gz MKUMVYHCSHNUBG-AXFHLTTASA-N -1 3 271.338 1.434 10 0 CDAEHM Cc1cnc(C(=O)Nc2n[nH]c3cc(F)ccc23)c([O-])c1 ZINC000356812536 366568920 /nfs/dbraw/zinc/56/89/20/366568920.db2.gz CAFBVAZYJMAGHX-UHFFFAOYSA-N -1 3 286.266 1.785 10 0 CDAEHM CN(C)C[C@H]1CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000298096557 200332110 /nfs/dbraw/zinc/33/21/10/200332110.db2.gz IOJQNBOMDQJEPK-GFCCVEGCSA-N -1 3 276.336 1.128 10 0 CDAEHM C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632302531 360041044 /nfs/dbraw/zinc/04/10/44/360041044.db2.gz 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/nfs/dbraw/zinc/35/46/34/360354634.db2.gz SCLLWRMWLOATLV-UHFFFAOYSA-N -1 3 257.236 1.928 10 0 CDAEHM CCC(CC)([N-]S(=O)(=O)CCCCOC)C(=O)OC ZINC000337960770 360571743 /nfs/dbraw/zinc/57/17/43/360571743.db2.gz ZERZQWMDBHIEII-UHFFFAOYSA-N -1 3 295.401 1.064 10 0 CDAEHM COc1cc(=NC(=O)N[C@@H](C)CC(C)C)[n-]n1C ZINC000516524644 360614569 /nfs/dbraw/zinc/61/45/69/360614569.db2.gz RMVFWROFNZIENQ-VIFPVBQESA-N -1 3 254.334 1.407 10 0 CDAEHM CCC[C@H](C(=O)OCC)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000516475826 360607334 /nfs/dbraw/zinc/60/73/34/360607334.db2.gz LZBHSCOYRWBYRA-QJPTWQEYSA-N -1 3 271.357 1.761 10 0 CDAEHM CC=CC[C@H]1NC(=O)N(Cc2ccc([O-])c(F)c2)C1=O ZINC000349052277 360723043 /nfs/dbraw/zinc/72/30/43/360723043.db2.gz OBUKLUVOXQFDRQ-KXMPLOMGSA-N -1 3 278.283 1.918 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(C)C[C@@H]2C)c1 ZINC000408410451 360848281 /nfs/dbraw/zinc/84/82/81/360848281.db2.gz RBJBJKFTNNHPRZ-JTQLQIEISA-N -1 3 291.351 1.127 10 0 CDAEHM O=C(NCc1ncccc1[O-])[C@H]1CCc2cccnc21 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CC(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)cc1[O-] ZINC000408467734 361193051 /nfs/dbraw/zinc/19/30/51/361193051.db2.gz OQXAYEARUICHOQ-OTYXRUKQSA-N -1 3 277.320 1.438 10 0 CDAEHM COc1ccc(C(=O)NCC[C@H](O)C(F)F)c([O-])c1 ZINC000633994554 361212657 /nfs/dbraw/zinc/21/26/57/361212657.db2.gz VGJITKHTJFYGPT-VIFPVBQESA-N -1 3 275.251 1.147 10 0 CDAEHM C[C@H](F)CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000339031508 361225228 /nfs/dbraw/zinc/22/52/28/361225228.db2.gz DCSJREZUVIWMNP-ZETCQYMHSA-N -1 3 267.272 1.991 10 0 CDAEHM COc1ccc(S(=O)(=O)[N-]CC[C@@H](C)F)c(F)c1 ZINC000339032389 361225531 /nfs/dbraw/zinc/22/55/31/361225531.db2.gz AXYMILWIRZZVOR-MRVPVSSYSA-N -1 3 279.308 1.861 10 0 CDAEHM CC[C@H](CSC)[N-]S(=O)(=O)c1cscn1 ZINC000519393139 361292420 /nfs/dbraw/zinc/29/24/20/361292420.db2.gz IAGCBGZZSLRHCQ-SSDOTTSWSA-N -1 3 266.413 1.563 10 0 CDAEHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)CC2CC2)o1 ZINC000267178332 363755053 /nfs/dbraw/zinc/75/50/53/363755053.db2.gz JRHMAGYAQDWNES-LBPRGKRZSA-N -1 3 287.381 1.859 10 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10 0 CDAEHM COC[C@]1(C)CN(C(=O)c2ccc(OC)cc2[O-])CCO1 ZINC000629908999 364131817 /nfs/dbraw/zinc/13/18/17/364131817.db2.gz XYXKFDBUAWSYTG-HNNXBMFYSA-N -1 3 295.335 1.278 10 0 CDAEHM Cn1cnnc1COCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000293608703 370712223 /nfs/dbraw/zinc/71/22/23/370712223.db2.gz YIRAKTGOFADZTQ-UHFFFAOYSA-N -1 3 296.714 1.329 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000629918313 364159802 /nfs/dbraw/zinc/15/98/02/364159802.db2.gz IDDUENJMUJYWNS-LBPRGKRZSA-N -1 3 288.347 1.584 10 0 CDAEHM O=S(=O)([N-][C@@H]1C[C@@H]1CO)c1cnc(Cl)c(Cl)c1 ZINC000170606624 364250910 /nfs/dbraw/zinc/25/09/10/364250910.db2.gz QWCBNCCVCOAHJD-SVGQVSJJSA-N -1 3 297.163 1.048 10 0 CDAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C)[C@@H](C)CO)s1 ZINC000269734933 364325070 /nfs/dbraw/zinc/32/50/70/364325070.db2.gz CYDCAISYGAZHLL-BQBZGAKWSA-N -1 3 278.399 1.055 10 0 CDAEHM O=C(c1cc(F)c[n-]c1=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000630025737 364441172 /nfs/dbraw/zinc/44/11/72/364441172.db2.gz 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/nfs/dbraw/zinc/13/10/82/365131082.db2.gz OPDZLEDNKCTEBR-UHFFFAOYSA-N -1 3 271.386 1.904 10 0 CDAEHM CCn1ncc(C[N-]S(=O)(=O)CC23CCC(CC2)C3)n1 ZINC000528454827 366880022 /nfs/dbraw/zinc/88/00/22/366880022.db2.gz YOHSZZOYESCSMO-UHFFFAOYSA-N -1 3 298.412 1.298 10 0 CDAEHM O=C(NC[C@@H](CO)Cc1ccccc1)c1cccc([O-])c1 ZINC000357288383 366889049 /nfs/dbraw/zinc/88/90/49/366889049.db2.gz LMMUJMMXOYEWGA-AWEZNQCLSA-N -1 3 285.343 1.973 10 0 CDAEHM CN[C@H](C(=O)[O-])c1cccc(F)c1Br ZINC000307253813 366900593 /nfs/dbraw/zinc/90/05/93/366900593.db2.gz WGAUEXLUGSLNOX-QMMMGPOBSA-N -1 3 262.078 1.933 10 0 CDAEHM COC(=O)[C@@H](C)CN(C(=O)c1cccc([O-])c1)C1CC1 ZINC000357425684 366990042 /nfs/dbraw/zinc/99/00/42/366990042.db2.gz BRVPPYZMUSGJEW-JTQLQIEISA-N -1 3 277.320 1.806 10 0 CDAEHM CC[C@@H](C(=O)N=c1cc(-c2ccncc2)[n-][nH]1)[C@H](C)O ZINC000357626008 367108786 /nfs/dbraw/zinc/10/87/86/367108786.db2.gz XWFIRLXRJQXKLT-GXSJLCMTSA-N -1 3 274.324 1.239 10 0 CDAEHM O=C(NCCc1ccc[nH]1)c1ccc2n[n-]nc2c1 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CC[C@H]1CC[C@@H](C(=O)Nc2cc(-c3nccn3C)n[n-]2)O1 ZINC000269387427 132163839 /nfs/dbraw/zinc/16/38/39/132163839.db2.gz PUMWBUGGTRWLGM-ONGXEEELSA-N -1 3 289.339 1.706 10 0 CDAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCCC[C@H]1C1CCC1 ZINC000649197500 393006566 /nfs/dbraw/zinc/00/65/66/393006566.db2.gz NVZBTLWQFNCWIM-VIFPVBQESA-N -1 3 292.339 1.265 10 0 CDAEHM CCCS(=O)(=O)[N-]c1nc2cccnc2n1CC ZINC000451037925 393062300 /nfs/dbraw/zinc/06/23/00/393062300.db2.gz LWYWSLDZFNJWDF-UHFFFAOYSA-N -1 3 268.342 1.603 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cn(C(C)(C)C)nn1 ZINC000649229889 393123397 /nfs/dbraw/zinc/12/33/97/393123397.db2.gz RDGPDXPCSDRRKM-UHFFFAOYSA-N -1 3 290.371 1.862 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@]1(C)CCCO1 ZINC000649231162 393129093 /nfs/dbraw/zinc/12/90/93/393129093.db2.gz JZFVHZMBMBXGEK-ZDUSSCGKSA-N -1 3 251.330 1.771 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc(C)[nH]c1=O ZINC000649232539 393131466 /nfs/dbraw/zinc/13/14/66/393131466.db2.gz GCYLOMKVBJRXQU-UHFFFAOYSA-N -1 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CCc1ncc(S(=O)(=O)[N-][C@@H]2CCn3ccnc32)s1 ZINC000831739427 741345810 /nfs/dbraw/zinc/34/58/10/741345810.db2.gz RJBZLTCGSJWEED-MRVPVSSYSA-N -1 3 298.393 1.325 10 0 CDAEHM CSc1nc(NC(=O)C=CCOC2CCOCC2)n[n-]1 ZINC000865062486 741612093 /nfs/dbraw/zinc/61/20/93/741612093.db2.gz ZZLDUXMPIMMFOL-NSCUHMNNSA-N -1 3 298.368 1.217 10 0 CDAEHM CCOc1nnc(NC(=O)[C@H](C)OCc2ccccc2)[n-]1 ZINC000228789478 741730182 /nfs/dbraw/zinc/73/01/82/741730182.db2.gz NSSGJKYLKIMFIZ-JTQLQIEISA-N -1 3 290.323 1.747 10 0 CDAEHM CCOc1nc(NC(=O)[C@H](C)OCc2ccccc2)n[n-]1 ZINC000228789478 741730190 /nfs/dbraw/zinc/73/01/90/741730190.db2.gz NSSGJKYLKIMFIZ-JTQLQIEISA-N -1 3 290.323 1.747 10 0 CDAEHM CCOc1n[n-]c(NC(=O)[C@H](C)OCc2ccccc2)n1 ZINC000228789478 741730199 /nfs/dbraw/zinc/73/01/99/741730199.db2.gz NSSGJKYLKIMFIZ-JTQLQIEISA-N -1 3 290.323 1.747 10 0 CDAEHM CC[C@@H](CSC)[N-]S(=O)(=O)N=[S@@](C)(=O)CC ZINC000867058913 741979251 /nfs/dbraw/zinc/97/92/51/741979251.db2.gz YBOTYQDRTOWXAS-AYVTZFPOSA-N -1 3 288.460 1.080 10 0 CDAEHM O=C([O-])c1ccc(F)c2c1CN(C[C@H](O)C1CC1)CC2 ZINC000863473263 742092434 /nfs/dbraw/zinc/09/24/34/742092434.db2.gz GZZXSTXTPOWPSG-AWEZNQCLSA-N -1 3 279.311 1.653 10 0 CDAEHM CCCCc1noc([C@@H](C)OC(=O)c2cnn[n-]2)n1 ZINC000805608845 742150185 /nfs/dbraw/zinc/15/01/85/742150185.db2.gz JPWMQPCDZKVCIC-SSDOTTSWSA-N -1 3 265.273 1.448 10 0 CDAEHM CCCCc1noc([C@@H](C)OC(=O)c2c[n-]nn2)n1 ZINC000805608845 742150203 /nfs/dbraw/zinc/15/02/03/742150203.db2.gz JPWMQPCDZKVCIC-SSDOTTSWSA-N -1 3 265.273 1.448 10 0 CDAEHM CNC(=O)c1cccc(CCC(=O)[N-]OCC2CC2)c1 ZINC000817362417 742298937 /nfs/dbraw/zinc/29/89/37/742298937.db2.gz MHLGHNKEXDVGEH-UHFFFAOYSA-N -1 3 276.336 1.437 10 0 CDAEHM CSCCO[N-]C(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C ZINC000822593574 742661162 /nfs/dbraw/zinc/66/11/62/742661162.db2.gz HCPYYXWPGBODEW-NXEZZACHSA-N -1 3 289.397 1.765 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)[n-]1 ZINC000867770421 742809496 /nfs/dbraw/zinc/80/94/96/742809496.db2.gz VGFRNRDODGTVKB-SGIHWFKDSA-N -1 3 277.324 1.817 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c[n-]1 ZINC000867770421 742809497 /nfs/dbraw/zinc/80/94/97/742809497.db2.gz VGFRNRDODGTVKB-SGIHWFKDSA-N -1 3 277.324 1.817 10 0 CDAEHM CN1CCC[C@@H](NC(=O)N[C@@H](C(=O)[O-])c2cccs2)C1 ZINC000227621664 742818566 /nfs/dbraw/zinc/81/85/66/742818566.db2.gz AZJPAKYWUMTXLF-MWLCHTKSSA-N -1 3 297.380 1.267 10 0 CDAEHM Fc1cc(CN2CC[C@@H](c3nnn[n-]3)C2)cnc1Cl ZINC001620536167 1165656251 /nfs/dbraw/zinc/65/62/51/1165656251.db2.gz NRRRYFISGOFUIG-MRVPVSSYSA-N -1 3 282.710 1.377 10 0 CDAEHM Fc1cc(CN2CC[C@@H](c3nn[n-]n3)C2)cnc1Cl ZINC001620536167 1165656259 /nfs/dbraw/zinc/65/62/59/1165656259.db2.gz NRRRYFISGOFUIG-MRVPVSSYSA-N -1 3 282.710 1.377 10 0 CDAEHM Cc1cc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)co1 ZINC001631842248 1166306841 /nfs/dbraw/zinc/30/68/41/1166306841.db2.gz FCUCDGNCUGAAAI-UHFFFAOYSA-N -1 3 265.294 1.302 10 0 CDAEHM NC(=O)OCCNC(=O)c1cc2sccc2c([O-])c1 ZINC001632922047 1166386555 /nfs/dbraw/zinc/38/65/55/1166386555.db2.gz SGQPHWJPOHUGIP-UHFFFAOYSA-N -1 3 280.305 1.846 10 0 CDAEHM CC(C)OC(=O)c1cc(NC(=O)c2cocn2)[n-]n1 ZINC001636004675 1166640416 /nfs/dbraw/zinc/64/04/16/1166640416.db2.gz LJOOEGDARJRFTR-UHFFFAOYSA-N -1 3 264.241 1.215 10 0 CDAEHM CC(C)OC(=O)c1cc(NC(=O)c2cocn2)n[n-]1 ZINC001636004675 1166640420 /nfs/dbraw/zinc/64/04/20/1166640420.db2.gz LJOOEGDARJRFTR-UHFFFAOYSA-N -1 3 264.241 1.215 10 0 CDAEHM CCOCC[C@@H](NCc1cc2n(n1)CCCC2)C(=O)[O-] ZINC001119551214 1167018883 /nfs/dbraw/zinc/01/88/83/1167018883.db2.gz VNJFMZXTLXPCLY-CYBMUJFWSA-N -1 3 281.356 1.189 10 0 CDAEHM Fc1cccc(F)c1CN1CC[C@@H](c2nnn[n-]2)C1 ZINC001644305273 1167307888 /nfs/dbraw/zinc/30/78/88/1167307888.db2.gz MBMVJTDRALWDTM-MRVPVSSYSA-N -1 3 265.267 1.467 10 0 CDAEHM Fc1cccc(F)c1CN1CC[C@@H](c2nn[n-]n2)C1 ZINC001644305273 1167307891 /nfs/dbraw/zinc/30/78/91/1167307891.db2.gz MBMVJTDRALWDTM-MRVPVSSYSA-N -1 3 265.267 1.467 10 0 CDAEHM O=C([N-]c1cc2oc(=O)[nH]c2cc1F)c1csnn1 ZINC001645190116 1167374438 /nfs/dbraw/zinc/37/44/38/1167374438.db2.gz KHPIGNPHWQCDLP-UHFFFAOYSA-N -1 3 280.240 1.776 10 0 CDAEHM O=C(CCc1cncs1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001646250480 1167724440 /nfs/dbraw/zinc/72/44/40/1167724440.db2.gz WSCCYTSUDVSDPV-SECBINFHSA-N -1 3 292.364 1.521 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)c2cc(C)cnc2F)[n-]n1 ZINC001567159793 1168601322 /nfs/dbraw/zinc/60/13/22/1168601322.db2.gz IODADZVNRAQSSV-UHFFFAOYSA-N -1 3 292.270 1.681 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)c2cc(C)cnc2F)n[n-]1 ZINC001567159793 1168601329 /nfs/dbraw/zinc/60/13/29/1168601329.db2.gz IODADZVNRAQSSV-UHFFFAOYSA-N -1 3 292.270 1.681 10 0 CDAEHM CCOc1nnc(NC(=O)C=Cc2ccnc(Cl)c2)[n-]1 ZINC001174744615 913333306 /nfs/dbraw/zinc/33/33/06/913333306.db2.gz HEXVBRPDTAVQGK-ONEGZZNKSA-N -1 3 293.714 1.904 10 0 CDAEHM CCOc1nc(NC(=O)C=Cc2ccnc(Cl)c2)n[n-]1 ZINC001174744615 913333312 /nfs/dbraw/zinc/33/33/12/913333312.db2.gz HEXVBRPDTAVQGK-ONEGZZNKSA-N -1 3 293.714 1.904 10 0 CDAEHM CCOc1n[n-]c(NC(=O)C=Cc2ccnc(Cl)c2)n1 ZINC001174744615 913333320 /nfs/dbraw/zinc/33/33/20/913333320.db2.gz HEXVBRPDTAVQGK-ONEGZZNKSA-N -1 3 293.714 1.904 10 0 CDAEHM O=C([N-]c1nc2ccccn2n1)c1nccc2cccnc21 ZINC001266605863 895527334 /nfs/dbraw/zinc/52/73/34/895527334.db2.gz JMNSLKGXWQCOJD-UHFFFAOYSA-N -1 3 290.286 1.925 10 0 CDAEHM O=C(C[C@@H]1C=CS(=O)(=O)C1)Nc1cccc([O-])c1F ZINC001362224994 903345578 /nfs/dbraw/zinc/34/55/78/903345578.db2.gz QYBVEDHTZDBEBU-QMMMGPOBSA-N -1 3 285.296 1.418 10 0 CDAEHM Cc1cc(CN2CC[C@]3(C(=O)[O-])CCC[C@H]23)no1 ZINC000711648709 904009582 /nfs/dbraw/zinc/00/95/82/904009582.db2.gz TXBQJZVDYOUNER-WCQYABFASA-N -1 3 250.298 1.812 10 0 CDAEHM O=C(NC[C@H]1CCN(CC(F)F)C1)c1ccccc1[O-] ZINC001363726232 904681519 /nfs/dbraw/zinc/68/15/19/904681519.db2.gz AASNBIYURZINIX-SNVBAGLBSA-N -1 3 284.306 1.709 10 0 CDAEHM O=[N+]([O-])c1ccccc1N1CCC(c2nnn[n-]2)CC1 ZINC000095167300 921300849 /nfs/dbraw/zinc/30/08/49/921300849.db2.gz LPPXSAQERKXPAI-UHFFFAOYSA-N -1 3 274.284 1.492 10 0 CDAEHM O=[N+]([O-])c1ccccc1N1CCC(c2nn[n-]n2)CC1 ZINC000095167300 921300851 /nfs/dbraw/zinc/30/08/51/921300851.db2.gz LPPXSAQERKXPAI-UHFFFAOYSA-N -1 3 274.284 1.492 10 0 CDAEHM CC(C)OC(=O)c1cc(NC(=O)[C@H](C)n2ccnc2)[n-]n1 ZINC001413671445 936663457 /nfs/dbraw/zinc/66/34/57/936663457.db2.gz JMAATBDPOBJIST-VIFPVBQESA-N -1 3 291.311 1.371 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)C=Cc1nccs1 ZINC001128847111 922506915 /nfs/dbraw/zinc/50/69/15/922506915.db2.gz IRUQUAKKJHVMID-IHWYPQMZSA-N -1 3 278.293 1.305 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)C=Cc1nccs1 ZINC001128847111 922506920 /nfs/dbraw/zinc/50/69/20/922506920.db2.gz IRUQUAKKJHVMID-IHWYPQMZSA-N -1 3 278.293 1.305 10 0 CDAEHM COC(OC)[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000854463418 928209882 /nfs/dbraw/zinc/20/98/82/928209882.db2.gz GKEQBAJHHZYPEY-VIFPVBQESA-N -1 3 290.319 1.265 10 0 CDAEHM COc1nnc([N-]C(=O)c2ccc(C=O)s2)s1 ZINC001169872429 928492970 /nfs/dbraw/zinc/49/29/70/928492970.db2.gz YLRZZVMGBFNRIS-UHFFFAOYSA-N -1 3 269.307 1.673 10 0 CDAEHM CC(C)n1ccnc1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001412295994 932363211 /nfs/dbraw/zinc/36/32/11/932363211.db2.gz BBCBTCQLOHIMHB-SNVBAGLBSA-N -1 3 289.339 1.522 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2nnc(OC)[n-]2)ccc1C ZINC001412673589 932614337 /nfs/dbraw/zinc/61/43/37/932614337.db2.gz GDUOQJVIHCCRRX-UHFFFAOYSA-N -1 3 290.279 1.161 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2n[n-]c(OC)n2)ccc1C ZINC001412673589 932614340 /nfs/dbraw/zinc/61/43/40/932614340.db2.gz GDUOQJVIHCCRRX-UHFFFAOYSA-N -1 3 290.279 1.161 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2nc(OC)n[n-]2)ccc1C ZINC001412673589 932614342 /nfs/dbraw/zinc/61/43/42/932614342.db2.gz GDUOQJVIHCCRRX-UHFFFAOYSA-N -1 3 290.279 1.161 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CC[C@@H](c2ncccn2)C1 ZINC001412701628 932648925 /nfs/dbraw/zinc/64/89/25/932648925.db2.gz SEOBQOSAUPUDCT-SNVBAGLBSA-N -1 3 285.303 1.518 10 0 CDAEHM O=C([O-])c1cc(CNC[C@@H]2C[C@@H]3CCC[C@@H]3O2)[nH]n1 ZINC001119606770 937738247 /nfs/dbraw/zinc/73/82/47/937738247.db2.gz LCFABYJEXZKDCB-PEXQALLHSA-N -1 3 265.313 1.155 10 0 CDAEHM COCC1(CNC(=O)c2c([O-])cccc2OC)CC1 ZINC000691850260 934671393 /nfs/dbraw/zinc/67/13/93/934671393.db2.gz YZRJYOHSGYZNPM-UHFFFAOYSA-N -1 3 265.309 1.557 10 0 CDAEHM O=C([O-])[C@@H]1[C@@H]2CCN(CCOCC(F)(F)F)C[C@@H]21 ZINC000721230961 942168105 /nfs/dbraw/zinc/16/81/05/942168105.db2.gz NABJLCHDWNDRNG-HRDYMLBCSA-N -1 3 267.247 1.218 10 0 CDAEHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1cnncc1[O-] ZINC001362099681 970884385 /nfs/dbraw/zinc/88/43/85/970884385.db2.gz OAPMDHHZCZCIJN-ZWNOBZJWSA-N -1 3 293.367 1.753 10 0 CDAEHM CC/C=C(/C)C(=O)N[C@H](C)C[C@H](C)NC(=O)c1cn[n-]n1 ZINC001281432712 942576100 /nfs/dbraw/zinc/57/61/00/942576100.db2.gz CBSLWNKBKUUJAO-KJNJGPFHSA-N -1 3 293.371 1.174 10 0 CDAEHM O=C(NCCc1c(F)cccc1Cl)c1cnncc1[O-] ZINC001362218637 971029012 /nfs/dbraw/zinc/02/90/12/971029012.db2.gz RMMYICHDDODTAD-UHFFFAOYSA-N -1 3 295.701 1.947 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ncsc1C1CC1 ZINC001362244775 971063858 /nfs/dbraw/zinc/06/38/58/971063858.db2.gz IQTORYSTEIUFPI-VIFPVBQESA-N -1 3 292.364 1.262 10 0 CDAEHM CC(C)(C)CC[C@@H](NC(=O)c1ccc(O)cc1[O-])C(N)=O ZINC001362740869 971576875 /nfs/dbraw/zinc/57/68/75/971576875.db2.gz FBXVGMFIFMUDEY-LLVKDONJSA-N -1 3 294.351 1.508 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)c2cnc(C3CC3)nc2)n1 ZINC001363005514 971808914 /nfs/dbraw/zinc/80/89/14/971808914.db2.gz WNKQIUFDGOUBLS-UHFFFAOYSA-N -1 3 285.307 1.088 10 0 CDAEHM C/C=C(\C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1cn[n-]n1 ZINC001285257407 953431380 /nfs/dbraw/zinc/43/13/80/953431380.db2.gz VPVCRHSOCJHTFQ-IGLBNKAOSA-N -1 3 293.371 1.032 10 0 CDAEHM CCC[C@@H](OC)C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001363719852 953697923 /nfs/dbraw/zinc/69/79/23/953697923.db2.gz YLFRTQYSYHFPNN-RNFRBKRXSA-N -1 3 294.277 1.816 10 0 CDAEHM CC(C)c1ccc(C(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)C2)c([O-])c1 ZINC001363747229 953738871 /nfs/dbraw/zinc/73/88/71/953738871.db2.gz JKWKZNPFQZAHTQ-KYOSRNDESA-N -1 3 293.363 1.520 10 0 CDAEHM O=C([O-])[C@H](Cc1cncs1)NCc1cccnc1Cl ZINC001330686477 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Cc1ccc(CC[C@@H](C)NC(=O)c2cc(=O)[n-]cn2)o1 ZINC000625859335 342213266 /nfs/dbraw/zinc/21/32/66/342213266.db2.gz MOQURUFCUVDGIV-SECBINFHSA-N -1 3 275.308 1.835 10 0 CDAEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1CCCOC1 ZINC000095146046 539041917 /nfs/dbraw/zinc/04/19/17/539041917.db2.gz OKLIDZDDVXWLJH-NSHDSACASA-N -1 3 287.323 1.156 10 0 CDAEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1CCCOC1 ZINC000095146046 539041918 /nfs/dbraw/zinc/04/19/18/539041918.db2.gz OKLIDZDDVXWLJH-NSHDSACASA-N -1 3 287.323 1.156 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000600479401 342216915 /nfs/dbraw/zinc/21/69/15/342216915.db2.gz HUYOJWRZFPBJFQ-XAAFQQQXSA-N -1 3 293.388 1.826 10 0 CDAEHM CCCC[C@H](CC)CCN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000437805143 539045547 /nfs/dbraw/zinc/04/55/47/539045547.db2.gz WOMFDDPIESOWAX-STQMWFEESA-N -1 3 281.400 1.829 10 0 CDAEHM O=C(NCc1ccc(C2CC2)cc1)c1cc(=O)[n-]cn1 ZINC000626637336 539077338 /nfs/dbraw/zinc/07/73/38/539077338.db2.gz HHILRARPOAXABQ-UHFFFAOYSA-N -1 3 269.304 1.990 10 0 CDAEHM O=C(N[C@@H](CO)CCF)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622127158 342241863 /nfs/dbraw/zinc/24/18/63/342241863.db2.gz VMFAYUDININGNG-SECBINFHSA-N -1 3 295.232 1.861 10 0 CDAEHM Cc1ocnc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120594896 539079660 /nfs/dbraw/zinc/07/96/60/539079660.db2.gz CIRZMNQKLJGJKJ-UHFFFAOYSA-N -1 3 284.279 1.339 10 0 CDAEHM Cc1ocnc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120594896 539079661 /nfs/dbraw/zinc/07/96/61/539079661.db2.gz CIRZMNQKLJGJKJ-UHFFFAOYSA-N -1 3 284.279 1.339 10 0 CDAEHM CN(C)CCN(C(=O)CCCCC(=O)[O-])C1CCCC1 ZINC000037835850 539089409 /nfs/dbraw/zinc/08/94/09/539089409.db2.gz UTNMJIVOMNZFRK-UHFFFAOYSA-N -1 3 284.400 1.964 10 0 CDAEHM Cc1ccc(C(=O)NC[C@@H]2CCC(=O)N2)c([O-])c1C ZINC000619139330 349636697 /nfs/dbraw/zinc/63/66/97/349636697.db2.gz AHEPPORAHFWRJL-JTQLQIEISA-N -1 3 262.309 1.017 10 0 CDAEHM O=C(c1cc(F)c[n-]c1=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000600837388 342252355 /nfs/dbraw/zinc/25/23/55/342252355.db2.gz 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/nfs/dbraw/zinc/21/84/64/358218464.db2.gz DKRODBNWARCBDR-UHFFFAOYSA-N -1 3 282.687 1.484 10 0 CDAEHM C[C@H](NC(=O)c1cc(=O)[n-]cn1)C1CCC(F)CC1 ZINC000628134533 358225266 /nfs/dbraw/zinc/22/52/66/358225266.db2.gz SWULXVBWYZFIGS-IDKOKCKLSA-N -1 3 267.304 1.829 10 0 CDAEHM C[C@H]1CCN(C(=O)c2cccc([O-])c2)CCS1(=O)=O ZINC000277297081 366394089 /nfs/dbraw/zinc/39/40/89/366394089.db2.gz ORUJDROWGRYGOC-JTQLQIEISA-N -1 3 283.349 1.041 10 0 CDAEHM Cc1cnc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c([O-])c1 ZINC000408225079 358445481 /nfs/dbraw/zinc/44/54/81/358445481.db2.gz RUOKKQSMLNWFHP-QWRGUYRKSA-N -1 3 275.352 1.451 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)NCC[C@H]2CCOC2)c1 ZINC000345711091 358874067 /nfs/dbraw/zinc/87/40/67/358874067.db2.gz HXCTULPAAKKOPU-NSHDSACASA-N -1 3 292.335 1.507 10 0 CDAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCC[C@H]1C ZINC000104762635 358964569 /nfs/dbraw/zinc/96/45/69/358964569.db2.gz RHLWOCBMHKNJNW-APPZFPTMSA-N -1 3 291.804 1.849 10 0 CDAEHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C)o2)C1(C)C ZINC000336480223 363621219 /nfs/dbraw/zinc/62/12/19/363621219.db2.gz WZNFYBGXUKCBSC-VHSXEESVSA-N -1 3 273.354 1.680 10 0 CDAEHM C[C@@H]1[C@H](C(F)(F)F)OCCN1Cc1cc(=O)c([O-])co1 ZINC000626017321 359421810 /nfs/dbraw/zinc/42/18/10/359421810.db2.gz HNZLSQAYBZHFPL-RDDDGLTNSA-N -1 3 293.241 1.497 10 0 CDAEHM COc1nnc(NC(=O)c2cccc(OC(F)F)c2)[n-]1 ZINC000158171967 237119753 /nfs/dbraw/zinc/11/97/53/237119753.db2.gz GJODHJLNKRKXOV-UHFFFAOYSA-N -1 3 284.222 1.667 10 0 CDAEHM COc1nc(NC(=O)c2cccc(OC(F)F)c2)n[n-]1 ZINC000158171967 237119768 /nfs/dbraw/zinc/11/97/68/237119768.db2.gz GJODHJLNKRKXOV-UHFFFAOYSA-N -1 3 284.222 1.667 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cccc(OC(F)F)c2)n1 ZINC000158171967 237119776 /nfs/dbraw/zinc/11/97/76/237119776.db2.gz GJODHJLNKRKXOV-UHFFFAOYSA-N -1 3 284.222 1.667 10 0 CDAEHM O=C(NCc1cscn1)c1c[n-]c2ccccc2c1=O ZINC000050684010 359628953 /nfs/dbraw/zinc/62/89/53/359628953.db2.gz IHHMVMXWNSRCQA-UHFFFAOYSA-N -1 3 285.328 1.915 10 0 CDAEHM O=C(c1cc(=O)[n-]cn1)N1CCC(c2ccon2)CC1 ZINC000628141027 359779254 /nfs/dbraw/zinc/77/92/54/359779254.db2.gz GQTMQOYTYQLSBQ-UHFFFAOYSA-N -1 3 274.280 1.190 10 0 CDAEHM CCC(CC)[C@@H](O)CNC(=O)c1cccc([O-])c1 ZINC000227617629 359834492 /nfs/dbraw/zinc/83/44/92/359834492.db2.gz NLOWGYXRZFVCQA-ZDUSSCGKSA-N -1 3 251.326 1.919 10 0 CDAEHM C[C@@H]1CCC[C@@H]1CC(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297674318 200258718 /nfs/dbraw/zinc/25/87/18/200258718.db2.gz HEMIVJOUIPIPCQ-RKDXNWHRSA-N -1 3 291.355 1.462 10 0 CDAEHM C[C@@H]1CCC[C@@H]1CC(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297674318 200258720 /nfs/dbraw/zinc/25/87/20/200258720.db2.gz HEMIVJOUIPIPCQ-RKDXNWHRSA-N -1 3 291.355 1.462 10 0 CDAEHM C[C@@H]1CCC[C@@H]1CC(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297674318 200258722 /nfs/dbraw/zinc/25/87/22/200258722.db2.gz HEMIVJOUIPIPCQ-RKDXNWHRSA-N -1 3 291.355 1.462 10 0 CDAEHM CN(C[C@H]1CCc2ccccc21)C(=O)c1cc(=O)[n-]cn1 ZINC000628151708 359853515 /nfs/dbraw/zinc/85/35/15/359853515.db2.gz 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/nfs/dbraw/zinc/40/83/00/360408300.db2.gz RBWPWFOGDYIBAK-NXEZZACHSA-N -1 3 277.292 1.075 10 0 CDAEHM COCCCOC1CN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000176914115 238249671 /nfs/dbraw/zinc/24/96/71/238249671.db2.gz XLIXEZQJROIHGC-UHFFFAOYSA-N -1 3 279.336 1.578 10 0 CDAEHM Cn1nc(C(=O)[O-])cc1CNC[C@H]1Cc2ccccc21 ZINC000635306724 361105660 /nfs/dbraw/zinc/10/56/60/361105660.db2.gz XDNZVBDMARKAHY-LLVKDONJSA-N -1 3 271.320 1.548 10 0 CDAEHM O=S(=O)([N-]Cc1cscn1)c1cncc(F)c1 ZINC000339166128 361342841 /nfs/dbraw/zinc/34/28/41/361342841.db2.gz SLWYXEOHSMPQJV-UHFFFAOYSA-N -1 3 273.314 1.156 10 0 CDAEHM CC(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000133645043 361417991 /nfs/dbraw/zinc/41/79/91/361417991.db2.gz HDADENOXMPPLBK-UHFFFAOYSA-N -1 3 293.747 1.983 10 0 CDAEHM COc1ccc(C(=O)NCC[C@@H](O)C(F)(F)F)c([O-])c1 ZINC000436498227 361522455 /nfs/dbraw/zinc/52/24/55/361522455.db2.gz VQLCLNNOOVCHFN-SNVBAGLBSA-N -1 3 293.241 1.444 10 0 CDAEHM Cc1cc(C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)ccc1[O-] ZINC000629090848 361496394 /nfs/dbraw/zinc/49/63/94/361496394.db2.gz HAKZCXOHHAQVEP-XJKSGUPXSA-N -1 3 275.348 1.935 10 0 CDAEHM CC(=O)c1ccc(C(=O)N[C@H]2CO[C@H](C3CC3)C2)cc1[O-] ZINC000629126975 361595947 /nfs/dbraw/zinc/59/59/47/361595947.db2.gz NPWPVGXJUYQKFT-DOMZBBRYSA-N -1 3 289.331 1.892 10 0 CDAEHM COc1cc(=NC(=O)[C@@H](Cc2ccccc2)OC)[n-]n1C ZINC000562537833 361576883 /nfs/dbraw/zinc/57/68/83/361576883.db2.gz UPAWDIFGUPCRRR-GFCCVEGCSA-N -1 3 289.335 1.047 10 0 CDAEHM Cc1nocc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](C)O1 ZINC000632558151 361714292 /nfs/dbraw/zinc/71/42/92/361714292.db2.gz GQYAOIZMIRFEBA-WPRPVWTQSA-N -1 3 274.342 1.219 10 0 CDAEHM CC[C@](C)(CNC(=O)NCc1ncccc1[O-])OC ZINC000455322716 252388957 /nfs/dbraw/zinc/38/89/57/252388957.db2.gz BWQDCLBIVLXPBS-CYBMUJFWSA-N -1 3 267.329 1.402 10 0 CDAEHM COc1cc(C(=O)N(C)C[C@@H]2CCCO2)ccc1[O-] ZINC000268068954 363965453 /nfs/dbraw/zinc/96/54/53/363965453.db2.gz IZXXONUGFRLIEP-NSHDSACASA-N -1 3 265.309 1.652 10 0 CDAEHM CCc1cc(C(=O)N2CCO[C@@](C)(COC)C2)ccc1[O-] ZINC000629896613 364109004 /nfs/dbraw/zinc/10/90/04/364109004.db2.gz AAXGAMKSGTZTCI-MRXNPFEDSA-N -1 3 293.363 1.832 10 0 CDAEHM CCc1ccc(C(=O)N2CCO[C@](C)(COC)C2)c([O-])c1 ZINC000629899871 364113169 /nfs/dbraw/zinc/11/31/69/364113169.db2.gz NMXHONQSNYYROC-INIZCTEOSA-N -1 3 293.363 1.832 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1cc(F)c[n-]c1=O ZINC000630024853 364440032 /nfs/dbraw/zinc/44/00/32/364440032.db2.gz REKBOVOKXQCBBA-FBSDJGSXSA-N -1 3 268.288 1.468 10 0 CDAEHM O=C(Cc1ccc(Br)cc1[O-])NCCCO ZINC000357227379 366844407 /nfs/dbraw/zinc/84/44/07/366844407.db2.gz YNGWKBIORBDMLA-UHFFFAOYSA-N -1 3 288.141 1.196 10 0 CDAEHM CC[C@H](C)OCC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000162516723 364623586 /nfs/dbraw/zinc/62/35/86/364623586.db2.gz LHAUDJLQPCPSFC-VIFPVBQESA-N -1 3 277.328 1.564 10 0 CDAEHM CC[C@H](C)OCC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000162516723 364623592 /nfs/dbraw/zinc/62/35/92/364623592.db2.gz LHAUDJLQPCPSFC-VIFPVBQESA-N -1 3 277.328 1.564 10 0 CDAEHM CCO[C@@H](C)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352993666 364701012 /nfs/dbraw/zinc/70/10/12/364701012.db2.gz RODMTAIIOMXGBV-WPRPVWTQSA-N -1 3 253.302 1.047 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2CCC[C@H](COC)CC2)cs1 ZINC000412415125 240201757 /nfs/dbraw/zinc/20/17/57/240201757.db2.gz WCAPUYBANVKKNU-NSHDSACASA-N -1 3 297.424 1.886 10 0 CDAEHM CC(C)N(Cc1nc(=O)n(C)[n-]1)Cc1ccccc1 ZINC000353479602 365241270 /nfs/dbraw/zinc/24/12/70/365241270.db2.gz OIHQBAPEEPOCOG-UHFFFAOYSA-N -1 3 260.341 1.519 10 0 CDAEHM O=C(NCCc1ccccc1O)c1cccc2nn[n-]c21 ZINC000188545124 365275385 /nfs/dbraw/zinc/27/53/85/365275385.db2.gz KAIJQNJQOYDOOP-UHFFFAOYSA-N -1 3 282.303 1.636 10 0 CDAEHM O=C(NCCc1ccccc1O)c1cccc2[n-]nnc21 ZINC000188545124 365275390 /nfs/dbraw/zinc/27/53/90/365275390.db2.gz KAIJQNJQOYDOOP-UHFFFAOYSA-N -1 3 282.303 1.636 10 0 CDAEHM O=C(NCCc1ccccc1O)c1cccc2n[n-]nc21 ZINC000188545124 365275395 /nfs/dbraw/zinc/27/53/95/365275395.db2.gz KAIJQNJQOYDOOP-UHFFFAOYSA-N -1 3 282.303 1.636 10 0 CDAEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOC2)c(Cl)cc1F ZINC000178827214 367152248 /nfs/dbraw/zinc/15/22/48/367152248.db2.gz DZHLPSDECXXIBO-MRVPVSSYSA-N -1 3 293.747 1.855 10 0 CDAEHM O=C(NCC1CCN(c2ccccc2)CC1)c1c[n-]nn1 ZINC000279908138 367183531 /nfs/dbraw/zinc/18/35/31/367183531.db2.gz VFYNTVXTDUPNIN-UHFFFAOYSA-N -1 3 285.351 1.451 10 0 CDAEHM O=C(NCC1CCN(c2ccccc2)CC1)c1cnn[n-]1 ZINC000279908138 367183533 /nfs/dbraw/zinc/18/35/33/367183533.db2.gz VFYNTVXTDUPNIN-UHFFFAOYSA-N -1 3 285.351 1.451 10 0 CDAEHM O=C(NCC1CCN(c2ccccc2)CC1)c1cn[n-]n1 ZINC000279908138 367183537 /nfs/dbraw/zinc/18/35/37/367183537.db2.gz VFYNTVXTDUPNIN-UHFFFAOYSA-N -1 3 285.351 1.451 10 0 CDAEHM C[C@@H]1OCC[C@]12CN(C(=O)c1cccc([O-])c1)CCO2 ZINC000280219360 367311929 /nfs/dbraw/zinc/31/19/29/367311929.db2.gz WYQCXNPRWMDEHZ-NHYWBVRUSA-N -1 3 277.320 1.412 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCN2CC=C(C)CC2)o1 ZINC000358189679 367502145 /nfs/dbraw/zinc/50/21/45/367502145.db2.gz VCNICBOWERSDIS-UHFFFAOYSA-N -1 3 284.381 1.518 10 0 CDAEHM C[C@H](CC(=O)Nc1ccncc1[O-])c1cccnc1 ZINC000358357229 367629556 /nfs/dbraw/zinc/62/95/56/367629556.db2.gz QWVVBMBDMGOCMQ-SNVBAGLBSA-N -1 3 257.293 1.736 10 0 CDAEHM CCOC(=O)C[C@@H](C)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358592931 367800838 /nfs/dbraw/zinc/80/08/38/367800838.db2.gz AGWTYKHFSHADJS-SECBINFHSA-N -1 3 289.353 1.456 10 0 CDAEHM CCC([N-]S(=O)(=O)c1ccn(C)n1)(C1CC1)C1CC1 ZINC000528493647 367862513 /nfs/dbraw/zinc/86/25/13/367862513.db2.gz WRAODKASVNHRTA-UHFFFAOYSA-N -1 3 283.397 1.667 10 0 CDAEHM C[C@@]1(Br)C[C@@H]1C(=O)[N-]OCC(F)F ZINC000529032555 368063866 /nfs/dbraw/zinc/06/38/66/368063866.db2.gz VNJBKKPISJSQEP-CLZZGJSISA-N -1 3 258.062 1.473 10 0 CDAEHM CC(C)CO[N-]C(=O)[C@H]1C[C@@]1(C)Br ZINC000528880239 368015803 /nfs/dbraw/zinc/01/58/03/368015803.db2.gz LPCBXOBTTPMASD-VXNVDRBHSA-N -1 3 250.136 1.864 10 0 CDAEHM CNC(=O)C[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1ccccc1 ZINC000360282656 368210145 /nfs/dbraw/zinc/21/01/45/368210145.db2.gz GXSHNFPABYSHBV-GFCCVEGCSA-N -1 3 296.334 1.016 10 0 CDAEHM COC[C@H](C)[C@@H](C)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000360443829 368294010 /nfs/dbraw/zinc/29/40/10/368294010.db2.gz GLRWYVMNGSGPKK-HOSYDEDBSA-N -1 3 281.356 1.540 10 0 CDAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)CO1 ZINC000564208341 368334727 /nfs/dbraw/zinc/33/47/27/368334727.db2.gz SNJUFIMGQHTKQL-HBNTYKKESA-N -1 3 299.396 1.236 10 0 CDAEHM CN1CCCc2cc(NC([O-])=NOCC(C)(C)O)ccc21 ZINC000284605728 368534693 /nfs/dbraw/zinc/53/46/93/368534693.db2.gz KBTNNPXOONPHEC-UHFFFAOYSA-N -1 3 293.367 1.893 10 0 CDAEHM CN1CCCc2cc(NC(=O)[N-]OCC(C)(C)O)ccc21 ZINC000284605728 368534694 /nfs/dbraw/zinc/53/46/94/368534694.db2.gz KBTNNPXOONPHEC-UHFFFAOYSA-N -1 3 293.367 1.893 10 0 CDAEHM CC(C)COCCC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000360842465 368515004 /nfs/dbraw/zinc/51/50/04/368515004.db2.gz WNFUUKDFOYZXSV-UHFFFAOYSA-N -1 3 294.277 1.502 10 0 CDAEHM CC(C)COCCC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000360842465 368515008 /nfs/dbraw/zinc/51/50/08/368515008.db2.gz 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/nfs/dbraw/zinc/67/60/08/368676008.db2.gz YRHITGQASKBXBW-VIFPVBQESA-N -1 3 273.358 1.100 10 0 CDAEHM O=C(c1cccc2[n-]nnc21)N1CCC(c2ncc[nH]2)CC1 ZINC000543749663 368968557 /nfs/dbraw/zinc/96/85/57/368968557.db2.gz MNEBBWAXIOXMAH-UHFFFAOYSA-N -1 3 296.334 1.701 10 0 CDAEHM O=C(c1cccc2nn[n-]c21)N1CCC(c2ncc[nH]2)CC1 ZINC000543749663 368968561 /nfs/dbraw/zinc/96/85/61/368968561.db2.gz MNEBBWAXIOXMAH-UHFFFAOYSA-N -1 3 296.334 1.701 10 0 CDAEHM O=C(c1cccc2n[n-]nc21)N1CCC(c2ncc[nH]2)CC1 ZINC000543749663 368968564 /nfs/dbraw/zinc/96/85/64/368968564.db2.gz MNEBBWAXIOXMAH-UHFFFAOYSA-N -1 3 296.334 1.701 10 0 CDAEHM COc1cc(=NC(=O)c2ccoc2C2CC2)[n-]n1C ZINC000545995316 369296824 /nfs/dbraw/zinc/29/68/24/369296824.db2.gz KEMIALTUTHZLPO-UHFFFAOYSA-N -1 3 261.281 1.573 10 0 CDAEHM COc1cc(=NC(=O)c2cccc(OC(F)F)c2)[n-]n1C ZINC000547495278 369569855 /nfs/dbraw/zinc/56/98/55/369569855.db2.gz DVCYDVXNQIPODK-UHFFFAOYSA-N -1 3 297.261 1.704 10 0 CDAEHM O=C(c1csc(=O)[n-]1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000369091660 369684603 /nfs/dbraw/zinc/68/46/03/369684603.db2.gz JLXZWJYZEAAHEO-NSHDSACASA-N -1 3 289.360 1.949 10 0 CDAEHM Cc1ccc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c([O-])c1 ZINC000369816379 369887393 /nfs/dbraw/zinc/88/73/93/369887393.db2.gz CNSMPHOHFGNVKJ-WZRBSPASSA-N -1 3 288.347 1.440 10 0 CDAEHM COc1cccc(C(=O)N2CC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000370058932 369946996 /nfs/dbraw/zinc/94/69/96/369946996.db2.gz CQPXVALKAQJYDL-RYUDHWBXSA-N -1 3 291.347 1.899 10 0 CDAEHM COc1ccnc(OC)c1C(=O)[N-]c1nnc(C)s1 ZINC000630796683 370019627 /nfs/dbraw/zinc/01/96/27/370019627.db2.gz PXZRGMXRNLBVFS-UHFFFAOYSA-N -1 3 280.309 1.511 10 0 CDAEHM CCN=c1[n-]c(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)cs1 ZINC000564879686 370285233 /nfs/dbraw/zinc/28/52/33/370285233.db2.gz ZKVNPVAZQNQGLW-AYMMMOKOSA-N -1 3 251.355 1.525 10 0 CDAEHM COc1ccc2c(c1)CCCN(CCOCC(=O)[O-])C2 ZINC000565103011 370352349 /nfs/dbraw/zinc/35/23/49/370352349.db2.gz LBYRRXCHOQYSJN-UHFFFAOYSA-N -1 3 279.336 1.545 10 0 CDAEHM COc1cc(C)nc(CN2C[C@@H](OC)C[C@@H]2CC(=O)[O-])c1 ZINC000565111904 370356253 /nfs/dbraw/zinc/35/62/53/370356253.db2.gz NCVGHHFNOSORNP-OCCSQVGLSA-N -1 3 294.351 1.463 10 0 CDAEHM COC(=O)c1ccc(C(=O)Nc2c(C)nn(C)c2C)[n-]1 ZINC000292852733 370416214 /nfs/dbraw/zinc/41/62/14/370416214.db2.gz WHLRTYIDYRVWBG-UHFFFAOYSA-N -1 3 276.296 1.404 10 0 CDAEHM C[C@H]1CCN(CC(=O)N(C)C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000565891737 370560848 /nfs/dbraw/zinc/56/08/48/370560848.db2.gz CIJKTAMLBZUEPP-JSGCOSHPSA-N -1 3 296.411 1.820 10 0 CDAEHM CCCc1ncc(C[N-]S(=O)(=O)c2cnccc2C)o1 ZINC000567455873 370995713 /nfs/dbraw/zinc/99/57/13/370995713.db2.gz MAOPZOPZUDXCKD-UHFFFAOYSA-N -1 3 295.364 1.809 10 0 CDAEHM O=S(=O)([N-][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12)c1c[nH]cn1 ZINC000660105425 412786698 /nfs/dbraw/zinc/78/66/98/412786698.db2.gz XVKLTDCGEHBDBV-CYZMBNFOSA-N -1 3 293.323 1.165 10 0 CDAEHM Cc1ccc([O-])c(CN[C@H]2CCCc3nn(C)cc32)n1 ZINC000376758855 371327329 /nfs/dbraw/zinc/32/73/29/371327329.db2.gz 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/nfs/dbraw/zinc/15/40/38/372154038.db2.gz PUXMNKHNBPOZIY-CYBMUJFWSA-N -1 3 283.331 1.486 10 0 CDAEHM C[C@@H](O)[C@H]([N-]S(=O)(=O)CC1CC1)c1ccccc1F ZINC000578074824 372255804 /nfs/dbraw/zinc/25/58/04/372255804.db2.gz GIHDYLQXHXDYHB-RNCFNFMXSA-N -1 3 287.356 1.577 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)C[C@@H]2C=CCCC2)nc1=N ZINC000580778408 372689516 /nfs/dbraw/zinc/68/95/16/372689516.db2.gz JTBIBVFVZABLMM-NEPJUHHUSA-N -1 3 289.383 1.638 10 0 CDAEHM CCc1cnc(C[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)o1 ZINC000333117412 205044278 /nfs/dbraw/zinc/04/42/78/205044278.db2.gz FZVJTHHCOQEUSA-SCVCMEIPSA-N -1 3 284.381 1.845 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@@H](OC)C2)c1 ZINC000187781247 372818018 /nfs/dbraw/zinc/81/80/18/372818018.db2.gz NQGJYSAOESDONJ-YGRLFVJLSA-N -1 3 279.336 1.898 10 0 CDAEHM CC[C@@H]1[C@@H](C(=O)N=c2nc(C(C)(C)C)[n-]s2)CCN1C ZINC000630911407 373318838 /nfs/dbraw/zinc/31/88/38/373318838.db2.gz FBDVFZNAIBJQOL-VHSXEESVSA-N -1 3 296.440 1.926 10 0 CDAEHM COc1ccc([C@@H]([N-]C(=O)C(F)F)c2nccn2C)cc1 ZINC000192489998 373608506 /nfs/dbraw/zinc/60/85/06/373608506.db2.gz GDJJZIZXTXVGBZ-LLVKDONJSA-N -1 3 295.289 1.899 10 0 CDAEHM CC(=O)c1cc(N)cc([O-])c1I ZINC000575719214 374011215 /nfs/dbraw/zinc/01/12/15/374011215.db2.gz PYGZIKMJSUQUDO-UHFFFAOYSA-N -1 3 277.061 1.782 10 0 CDAEHM Nc1cc(F)c([O-])c(I)c1 ZINC000575726906 374137046 /nfs/dbraw/zinc/13/70/46/374137046.db2.gz UNUUSFNZWPEZHY-UHFFFAOYSA-N -1 3 253.014 1.718 10 0 CDAEHM COCC1(CCNC(=O)c2c([O-])cccc2O)CC1 ZINC000567274296 375088464 /nfs/dbraw/zinc/08/84/64/375088464.db2.gz RBNBCLOJRYDSHR-UHFFFAOYSA-N -1 3 265.309 1.644 10 0 CDAEHM C[C@H]1CC[C@@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000334391490 375214439 /nfs/dbraw/zinc/21/44/39/375214439.db2.gz VLQIROVFYYQOOH-CPCISQLKSA-N -1 3 258.277 1.099 10 0 CDAEHM COc1cc(C(=O)N[C@@](C)(CO)C(C)C)cc(OC)c1[O-] ZINC000427392372 247135581 /nfs/dbraw/zinc/13/55/81/247135581.db2.gz VTICXHOFVDSQQS-HNNXBMFYSA-N -1 3 297.351 1.546 10 0 CDAEHM Cc1cnc(C(=O)N[C@@H]2CCCN(C(C)C)C2)c([O-])c1 ZINC000427810346 247193002 /nfs/dbraw/zinc/19/30/02/247193002.db2.gz YWXINJZHCGPVEI-GFCCVEGCSA-N -1 3 277.368 1.698 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@H]2CC[C@H](O)CC2)sc1C ZINC000428346502 247285340 /nfs/dbraw/zinc/28/53/40/247285340.db2.gz LIWKVMMKKBKCBR-KYZUINATSA-N -1 3 270.354 1.375 10 0 CDAEHM CSC[C@@H](C)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000136989702 375785861 /nfs/dbraw/zinc/78/58/61/375785861.db2.gz CILZUKOKCQFKAH-SECBINFHSA-N -1 3 291.380 1.728 10 0 CDAEHM CSC[C@@H](C)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000136989702 375785865 /nfs/dbraw/zinc/78/58/65/375785865.db2.gz CILZUKOKCQFKAH-SECBINFHSA-N -1 3 291.380 1.728 10 0 CDAEHM CCCCOc1ccc([C@H](N)C(=O)[O-])cc1OC ZINC000004227577 375933977 /nfs/dbraw/zinc/93/39/77/375933977.db2.gz YJXCKMMTXVDSHK-LBPRGKRZSA-N -1 3 253.298 1.959 10 0 CDAEHM CCC(=O)N1CCCC[C@@H]1C(=O)NCc1ncccc1[O-] ZINC000331030069 376403757 /nfs/dbraw/zinc/40/37/57/376403757.db2.gz YPMBKEKADVBDJQ-GFCCVEGCSA-N -1 3 291.351 1.195 10 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1.251 10 0 CDAEHM CCNC(=O)[C@H](C)NCc1ccc([O-])c(Cl)c1 ZINC000043477646 175055308 /nfs/dbraw/zinc/05/53/08/175055308.db2.gz VNLOMEVUPBLUGY-QMMMGPOBSA-N -1 3 256.733 1.660 10 0 CDAEHM CCCC[C@H](N)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000043601412 175077522 /nfs/dbraw/zinc/07/75/22/175077522.db2.gz UGRWYFVYIRGGQA-KBPBESRZSA-N -1 3 290.363 1.715 10 0 CDAEHM COc1ccc(CNC2CC2)cc1O[C@@H](C)C(=O)[O-] ZINC000043624518 175081514 /nfs/dbraw/zinc/08/15/14/175081514.db2.gz BBQWEVLURLAZTD-VIFPVBQESA-N -1 3 265.309 1.799 10 0 CDAEHM CNCc1ccccc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000044261931 175157198 /nfs/dbraw/zinc/15/71/98/175157198.db2.gz NIBCMHSJQLMKCZ-UHFFFAOYSA-N -1 3 295.339 1.741 10 0 CDAEHM CN1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(N)cs1 ZINC000044563459 175206786 /nfs/dbraw/zinc/20/67/86/175206786.db2.gz SBORDBPXRKNGQX-SNVBAGLBSA-N -1 3 289.426 1.093 10 0 CDAEHM C[C@H](N[C@@H]1CCCc2cc(O)ccc21)c1nn[n-]n1 ZINC000044926882 175278144 /nfs/dbraw/zinc/27/81/44/175278144.db2.gz KZSIVFWCDBOWIY-QPUJVOFHSA-N -1 3 259.313 1.634 10 0 CDAEHM C[C@H](N[C@@H]1CCCc2cc(O)ccc21)c1nnn[n-]1 ZINC000044926882 175278145 /nfs/dbraw/zinc/27/81/45/175278145.db2.gz KZSIVFWCDBOWIY-QPUJVOFHSA-N -1 3 259.313 1.634 10 0 CDAEHM C[C@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC000044926816 175278152 /nfs/dbraw/zinc/27/81/52/175278152.db2.gz FQFBTVYHUNMZEU-UWVGGRQHSA-N -1 3 296.375 1.250 10 0 CDAEHM C[C@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nnn[n-]1 ZINC000044926816 175278154 /nfs/dbraw/zinc/27/81/54/175278154.db2.gz FQFBTVYHUNMZEU-UWVGGRQHSA-N -1 3 296.375 1.250 10 0 CDAEHM Clc1ccc(C2CC(NCc3nn[n-]n3)C2)cc1 ZINC000044928589 175279175 /nfs/dbraw/zinc/27/91/75/175279175.db2.gz QGNYLNYZTLQCJP-UHFFFAOYSA-N -1 3 263.732 1.889 10 0 CDAEHM Clc1ccc(C2CC(NCc3nnn[n-]3)C2)cc1 ZINC000044928589 175279177 /nfs/dbraw/zinc/27/91/77/175279177.db2.gz QGNYLNYZTLQCJP-UHFFFAOYSA-N -1 3 263.732 1.889 10 0 CDAEHM COc1cccc(C(=O)N(C)[C@H](C)C(N)=S)c1[O-] ZINC000045146583 175316806 /nfs/dbraw/zinc/31/68/06/175316806.db2.gz 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UBXBFPHNRPTBIO-LLVKDONJSA-N -1 3 281.327 1.721 10 0 CDAEHM COCC1(CNC(=O)c2cccc3nn[n-]c32)CC1 ZINC000655252534 424165680 /nfs/dbraw/zinc/16/56/80/424165680.db2.gz PGADKYLGTLFKCL-UHFFFAOYSA-N -1 3 260.297 1.114 10 0 CDAEHM COCC1(CNC(=O)c2cccc3[n-]nnc32)CC1 ZINC000655252534 424165690 /nfs/dbraw/zinc/16/56/90/424165690.db2.gz PGADKYLGTLFKCL-UHFFFAOYSA-N -1 3 260.297 1.114 10 0 CDAEHM COCC1(CNC(=O)c2cccc3n[n-]nc32)CC1 ZINC000655252534 424165699 /nfs/dbraw/zinc/16/56/99/424165699.db2.gz PGADKYLGTLFKCL-UHFFFAOYSA-N -1 3 260.297 1.114 10 0 CDAEHM CC(C)(CCN1CCN(c2nc(=N)[n-]s2)CC1)C1CC1 ZINC000653584294 424303225 /nfs/dbraw/zinc/30/32/25/424303225.db2.gz MLLQEOJHXSGAJK-UHFFFAOYSA-N -1 3 295.456 1.899 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)c1ccco1)[C@H]1CCCCO1 ZINC000655666338 424332510 /nfs/dbraw/zinc/33/25/10/424332510.db2.gz MPHURZOSVUSPRD-GHMZBOCLSA-N -1 3 273.354 1.906 10 0 CDAEHM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc2n(n1)CCCC2 ZINC000652490518 424494904 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CN(C)c1nc(C(=O)N2CC(C3CCCC3)C2)cc(=O)[n-]1 ZINC000530305310 271198831 /nfs/dbraw/zinc/19/88/31/271198831.db2.gz JNWIBKQJIBZKJX-UHFFFAOYSA-N -1 3 290.367 1.510 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2COc3ccc(F)cc3C2)n[n-]1 ZINC000368037872 278079199 /nfs/dbraw/zinc/07/91/99/278079199.db2.gz UNMFZATUPXPGOZ-QMMMGPOBSA-N -1 3 292.270 1.142 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2COc3ccc(F)cc3C2)[n-]1 ZINC000368037872 278079201 /nfs/dbraw/zinc/07/92/01/278079201.db2.gz UNMFZATUPXPGOZ-QMMMGPOBSA-N -1 3 292.270 1.142 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2COc3ccc(F)cc3C2)n1 ZINC000368037872 278079203 /nfs/dbraw/zinc/07/92/03/278079203.db2.gz UNMFZATUPXPGOZ-QMMMGPOBSA-N -1 3 292.270 1.142 10 0 CDAEHM COc1nnc(NC(=O)c2cc3c(c(Cl)c2)OCO3)[n-]1 ZINC000158177187 278085647 /nfs/dbraw/zinc/08/56/47/278085647.db2.gz TVDNPLXEPZICCP-UHFFFAOYSA-N -1 3 296.670 1.448 10 0 CDAEHM COc1nc(NC(=O)c2cc3c(c(Cl)c2)OCO3)n[n-]1 ZINC000158177187 278085648 /nfs/dbraw/zinc/08/56/48/278085648.db2.gz TVDNPLXEPZICCP-UHFFFAOYSA-N -1 3 296.670 1.448 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cc3c(c(Cl)c2)OCO3)n1 ZINC000158177187 278085650 /nfs/dbraw/zinc/08/56/50/278085650.db2.gz TVDNPLXEPZICCP-UHFFFAOYSA-N -1 3 296.670 1.448 10 0 CDAEHM Cc1ccc(CCC(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)o1 ZINC000131447245 279675512 /nfs/dbraw/zinc/67/55/12/279675512.db2.gz SDFJTJDHDSNTFB-UHFFFAOYSA-N -1 3 277.280 1.669 10 0 CDAEHM COc1ccc(C(=O)NCC[C@@H](C)[S@@](C)=O)c([O-])c1 ZINC000134012271 279762041 /nfs/dbraw/zinc/76/20/41/279762041.db2.gz SEWCRLVSWIHEBV-HOGDKLEQSA-N -1 3 285.365 1.288 10 0 CDAEHM O=C(Nc1nnc(SCCO)[n-]1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245929495 280241206 /nfs/dbraw/zinc/24/12/06/280241206.db2.gz YEPSDCKVXXPULD-BRPSZJMVSA-N -1 3 282.369 1.264 10 0 CDAEHM O=C(Nc1nc(SCCO)n[n-]1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245929495 280241209 /nfs/dbraw/zinc/24/12/09/280241209.db2.gz YEPSDCKVXXPULD-BRPSZJMVSA-N -1 3 282.369 1.264 10 0 CDAEHM O=C(Nc1n[n-]c(SCCO)n1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245929495 280241212 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10 0 CDAEHM O=C([O-])c1cc2c(nc1N[C@@H]1CCN(C3CC3)C1)CCC2 ZINC000054530963 526358042 /nfs/dbraw/zinc/35/80/42/526358042.db2.gz ZYRUUNVQSXIVLE-LLVKDONJSA-N -1 3 287.363 1.917 10 0 CDAEHM O=C1NCCCC[C@H]1Oc1ccc2c([O-])coc2c1 ZINC000062805403 527014383 /nfs/dbraw/zinc/01/43/83/527014383.db2.gz WRVQVLJARIDBCL-GFCCVEGCSA-N -1 3 261.277 1.309 10 0 CDAEHM NC1(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])CCCC1 ZINC000050927120 527124720 /nfs/dbraw/zinc/12/47/20/527124720.db2.gz BYDXHWDXRLHHMZ-LLVKDONJSA-N -1 3 268.357 1.504 10 0 CDAEHM NC[C@H](C(=O)N(CCC(=O)[O-])C1CC1)c1ccccc1 ZINC000061612519 527221890 /nfs/dbraw/zinc/22/18/90/527221890.db2.gz HYFIUHIETRDLTI-ZDUSSCGKSA-N -1 3 276.336 1.195 10 0 CDAEHM Nc1cc(C(=O)[O-])ccc1NCCN1CCCCC1 ZINC000049576726 527447656 /nfs/dbraw/zinc/44/76/56/527447656.db2.gz ZLWGQNPUEAOYCB-UHFFFAOYSA-N -1 3 263.341 1.865 10 0 CDAEHM O=c1ccnc2sc(NCc3ccc([O-])c(F)c3)nn21 ZINC000150922986 527491988 /nfs/dbraw/zinc/49/19/88/527491988.db2.gz IUNAWIHGLMXENR-UHFFFAOYSA-N -1 3 292.295 1.608 10 0 CDAEHM Nc1n[n-]c(-c2nc(-c3ccc(F)c(F)c3)no2)n1 ZINC000055169935 527541511 /nfs/dbraw/zinc/54/15/11/527541511.db2.gz SNIVWUSTXNAOOU-UHFFFAOYSA-N -1 3 264.195 1.382 10 0 CDAEHM Nc1nnc(-c2nc(-c3ccc(F)c(F)c3)no2)[n-]1 ZINC000055169935 527541514 /nfs/dbraw/zinc/54/15/14/527541514.db2.gz SNIVWUSTXNAOOU-UHFFFAOYSA-N -1 3 264.195 1.382 10 0 CDAEHM Nc1nc(-c2nc(-c3ccc(F)c(F)c3)no2)n[n-]1 ZINC000055169935 527541521 /nfs/dbraw/zinc/54/15/21/527541521.db2.gz SNIVWUSTXNAOOU-UHFFFAOYSA-N -1 3 264.195 1.382 10 0 CDAEHM O=C([O-])CC[C@H]1CCCCN1C(=O)N1CCCNCC1 ZINC000050930190 527598585 /nfs/dbraw/zinc/59/85/85/527598585.db2.gz USKTUACKALAKRJ-GFCCVEGCSA-N -1 3 283.372 1.121 10 0 CDAEHM O=C([O-])CN1CCCN(C(=O)NC[C@H]2CC=CCC2)CC1 ZINC000061146337 527609847 /nfs/dbraw/zinc/60/98/47/527609847.db2.gz KEXGIXPJTCWRTM-ZDUSSCGKSA-N -1 3 295.383 1.145 10 0 CDAEHM CCCn1c(=O)[n-]nc1SC[C@](C)(O)C(F)(F)F ZINC000310754488 535579681 /nfs/dbraw/zinc/57/96/81/535579681.db2.gz KZBNIJWHQWRECM-QMMMGPOBSA-N -1 3 285.291 1.387 10 0 CDAEHM COCc1ccsc1C(=O)[N-]c1nncs1 ZINC000180764241 536812069 /nfs/dbraw/zinc/81/20/69/536812069.db2.gz KVUPXKBMYYWXNM-UHFFFAOYSA-N -1 3 255.324 1.998 10 0 CDAEHM CON1CCC(C(=O)Nc2ccc([O-])cc2F)CC1 ZINC000632343853 538716574 /nfs/dbraw/zinc/71/65/74/538716574.db2.gz BYXIIZRTXWQACT-UHFFFAOYSA-N -1 3 268.288 1.743 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccc(C)cc2)o1 ZINC000770404190 575445920 /nfs/dbraw/zinc/44/59/20/575445920.db2.gz DTHXUUVIOMMPGD-ZDUSSCGKSA-N -1 3 295.360 1.908 10 0 CDAEHM CC[C@@](C)(CC(=O)OC)NC(=O)/C=C\c1cncc([O-])c1 ZINC000770500431 575456385 /nfs/dbraw/zinc/45/63/85/575456385.db2.gz DKLXTHFKKUWAHM-YVACAVLKSA-N -1 3 292.335 1.648 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2)o1 ZINC000773301633 575799555 /nfs/dbraw/zinc/79/95/55/575799555.db2.gz AEVRNOZUKPWXEO-LBPRGKRZSA-N -1 3 281.333 1.600 10 0 CDAEHM CSC(C)(C)CNC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000765398862 576016223 /nfs/dbraw/zinc/01/62/23/576016223.db2.gz WGXYEJMTRYOGCA-UHFFFAOYSA-N -1 3 284.385 1.120 10 0 CDAEHM CSc1cc([N-]C(=O)c2cccc[n+]2[O-])ccn1 ZINC000767147733 576162943 /nfs/dbraw/zinc/16/29/43/576162943.db2.gz FIFXWOORVQPAEB-UHFFFAOYSA-N -1 3 261.306 1.689 10 0 CDAEHM C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CN1C[C@H](C)C[C@@H]1C ZINC000741797022 576574665 /nfs/dbraw/zinc/57/46/65/576574665.db2.gz ZKYBKBBTPBEBGW-FRRDWIJNSA-N -1 3 290.411 1.945 10 0 CDAEHM COCCN(Cc1nc(C)cc(=O)[n-]1)C1CCCC1 ZINC000761863359 576599734 /nfs/dbraw/zinc/59/97/34/576599734.db2.gz GMDYOYYCAXPMTF-UHFFFAOYSA-N -1 3 265.357 1.882 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1 ZINC000761885458 576603563 /nfs/dbraw/zinc/60/35/63/576603563.db2.gz CGBXJXZETUIPRA-BDAKNGLRSA-N -1 3 291.273 1.642 10 0 CDAEHM C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)CNC1(C2CC2)CC1 ZINC000754361308 576893400 /nfs/dbraw/zinc/89/34/00/576893400.db2.gz TVEKZTJDFORXFD-NSHDSACASA-N -1 3 288.395 1.747 10 0 CDAEHM CC[C@H](C)[C@H](NCc1nc(C)cc(=O)[n-]1)C(=O)OC ZINC000754669582 576909618 /nfs/dbraw/zinc/90/96/18/576909618.db2.gz SACFGEQEKYLZNZ-UFBFGSQYSA-N -1 3 267.329 1.168 10 0 CDAEHM COc1cc(C(=O)OCc2ccn(C)n2)cc(OC)c1[O-] ZINC000754860425 576919496 /nfs/dbraw/zinc/91/94/96/576919496.db2.gz VBMZGRCCMZWHFL-UHFFFAOYSA-N -1 3 292.291 1.500 10 0 CDAEHM Cn1cc(CCOC(=O)c2cccc(Cl)c2[O-])nn1 ZINC000859624966 617241719 /nfs/dbraw/zinc/24/17/19/617241719.db2.gz IMUCYMZMUWKDOL-UHFFFAOYSA-N -1 3 281.699 1.574 10 0 CDAEHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)CC)C1 ZINC000866860431 617421396 /nfs/dbraw/zinc/42/13/96/617421396.db2.gz SQQIXCGLXUVDDV-RLFDGXBXSA-N -1 3 296.458 1.907 10 0 CDAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1C[C@H]1C1CCC1 ZINC000867442305 617817388 /nfs/dbraw/zinc/81/73/88/617817388.db2.gz FSDLPFSZNUYBKM-YNHOBRIKSA-N -1 3 280.415 1.127 10 0 CDAEHM COC(=O)c1cnc(C[N-]C(=O)C(C)(Cl)Cl)s1 ZINC000927959294 618755968 /nfs/dbraw/zinc/75/59/68/618755968.db2.gz GVFRRODDOHHXMJ-UHFFFAOYSA-N -1 3 297.163 1.740 10 0 CDAEHM O=C([N-]C[C@H](O)C(F)(F)F)C(F)(F)Cc1ccccc1 ZINC000793620488 619299572 /nfs/dbraw/zinc/29/95/72/619299572.db2.gz VMJJOWGUEAJTCC-VIFPVBQESA-N -1 3 297.223 1.904 10 0 CDAEHM COCCCO[N-]C(=O)C[C@H]1CCC2(CCC2)O1 ZINC000897755922 621094775 /nfs/dbraw/zinc/09/47/75/621094775.db2.gz XZAQBSVKPAUVCA-LLVKDONJSA-N -1 3 257.330 1.563 10 0 CDAEHM O=C(C[C@H]1CCC2(CCOCC2)CO1)[N-]OCC1CC1 ZINC000897842050 621158500 /nfs/dbraw/zinc/15/85/00/621158500.db2.gz WMLKGWKMCACGJW-CYBMUJFWSA-N -1 3 283.368 1.810 10 0 CDAEHM CSCCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898206391 621362804 /nfs/dbraw/zinc/36/28/04/621362804.db2.gz XROMDJMLBHPDPO-MRVPVSSYSA-N -1 3 255.343 1.184 10 0 CDAEHM O=C(C[C@@H]1CCCCO1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216873 621369920 /nfs/dbraw/zinc/36/99/20/621369920.db2.gz XQJOBUNUTZBUSO-MNOVXSKESA-N -1 3 279.340 1.390 10 0 CDAEHM COCCC[C@H](C)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217602 621371400 /nfs/dbraw/zinc/37/14/00/621371400.db2.gz ODLSPALNKJAMPV-QWRGUYRKSA-N -1 3 281.356 1.494 10 0 CDAEHM CC[C@@](C)(OC)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898220639 621372776 /nfs/dbraw/zinc/37/27/76/621372776.db2.gz BFOZHUNYSMERBO-NOZJJQNGSA-N -1 3 267.329 1.246 10 0 CDAEHM O=C(C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)c1ccccc1 ZINC000898220772 621372910 /nfs/dbraw/zinc/37/29/10/621372910.db2.gz GFYRKNBOHMWYSZ-NSHDSACASA-N -1 3 285.303 1.314 10 0 CDAEHM O=C(c1ocnc1C1CC1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898221706 621409021 /nfs/dbraw/zinc/40/90/21/621409021.db2.gz NNZFZHCFWICZGZ-VIFPVBQESA-N -1 3 288.307 1.610 10 0 CDAEHM O=C(c1ccoc1Cl)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898222435 621410315 /nfs/dbraw/zinc/41/03/15/621410315.db2.gz WAFSRKDQOXBNFW-SSDOTTSWSA-N -1 3 281.699 1.991 10 0 CDAEHM O=C([C@H]1CCc2cccnc21)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898222942 621411411 /nfs/dbraw/zinc/41/14/11/621411411.db2.gz YCUKXGWIRCWCNS-NEPJUHHUSA-N -1 3 298.346 1.556 10 0 CDAEHM O=C(c1cncc2[nH]ccc21)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898225491 621412777 /nfs/dbraw/zinc/41/27/77/621412777.db2.gz GENIRJBVEIVHRJ-SECBINFHSA-N -1 3 297.318 1.621 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)C[C@@H]2OCc3ccccc32)n1 ZINC000898258877 621423734 /nfs/dbraw/zinc/42/37/34/621423734.db2.gz ZPCZGHPCAUOPDR-ZDUSSCGKSA-N -1 3 299.330 1.768 10 0 CDAEHM O=C(NCCN=S1(=O)CCCC1)c1c([O-])cccc1O ZINC000898425303 621729904 /nfs/dbraw/zinc/72/99/04/621729904.db2.gz IUHCFOGHEPRAMY-UHFFFAOYSA-N -1 3 298.364 1.089 10 0 CDAEHM COc1ccc(C(=O)N[C@@H]2CCCN(CCF)C2)c([O-])c1 ZINC000898483129 621753521 /nfs/dbraw/zinc/75/35/21/621753521.db2.gz HOMWADQFQWYJCD-LLVKDONJSA-N -1 3 296.342 1.565 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1CC(Cc2cnn(C)c2)C1 ZINC000899002954 622012829 /nfs/dbraw/zinc/01/28/29/622012829.db2.gz BPRGPTLJSBUGDQ-UHFFFAOYSA-N -1 3 285.347 1.749 10 0 CDAEHM CC(C)CN(Cc1nccc(N)n1)CC(C)(C)C(=O)[O-] ZINC000903623423 626040930 /nfs/dbraw/zinc/04/09/30/626040930.db2.gz YGNJKXPKROEVEC-UHFFFAOYSA-N -1 3 280.372 1.628 10 0 CDAEHM O=C([O-])c1ccc(CN[C@@H]2CC(=O)N(C3CC3)C2)s1 ZINC000903681633 626053251 /nfs/dbraw/zinc/05/32/51/626053251.db2.gz GWGMDWUJKNUQJH-MRVPVSSYSA-N -1 3 280.349 1.299 10 0 CDAEHM Cn1nc(C(=O)[O-])cc1CNC[C@@H]1CCC2(CCC2)CO1 ZINC000903694408 626055937 /nfs/dbraw/zinc/05/59/37/626055937.db2.gz UZVYUDKCOHUPGD-LBPRGKRZSA-N -1 3 293.367 1.557 10 0 CDAEHM CCO[C@@H]1[C@H](C)[C@@H]1c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000903730531 626067334 /nfs/dbraw/zinc/06/73/34/626067334.db2.gz LMKDFUFBGVLURT-WHFVKQHSSA-N -1 3 262.269 1.371 10 0 CDAEHM O=C([O-])[C@]1(NCc2ccc(C(F)F)nc2)CCOC1 ZINC000904009548 626178776 /nfs/dbraw/zinc/17/87/76/626178776.db2.gz DOAHFSFZFZEGNC-LBPRGKRZSA-N -1 3 272.251 1.353 10 0 CDAEHM CCN(CC)CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000909957934 628778014 /nfs/dbraw/zinc/77/80/14/628778014.db2.gz KHBAAZYGEZUDHS-HZSPNIEDSA-N -1 3 296.411 1.820 10 0 CDAEHM CN(CC(=O)NCc1ccoc1C(=O)[O-])CC(C)(C)C ZINC000909962382 628779836 /nfs/dbraw/zinc/77/98/36/628779836.db2.gz NIMPUHZSEXYENX-UHFFFAOYSA-N -1 3 282.340 1.572 10 0 CDAEHM CCN(CC)CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000910239770 628925321 /nfs/dbraw/zinc/92/53/21/628925321.db2.gz MTNQCTNVKGUASB-RWMBFGLXSA-N -1 3 282.384 1.430 10 0 CDAEHM O=C(/C=C/[C@@H]1CCOC1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911850840 629589677 /nfs/dbraw/zinc/58/96/77/629589677.db2.gz ACRGQLQRVBSDBN-OIDVMBJGSA-N -1 3 277.324 1.024 10 0 CDAEHM Cc1cncc(C=CC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC000911854595 629593008 /nfs/dbraw/zinc/59/30/08/629593008.db2.gz MFYQUUZOODLYKC-YWVDXFKGSA-N -1 3 298.346 1.848 10 0 CDAEHM CN=[S@](C)(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000912789444 630206840 /nfs/dbraw/zinc/20/68/40/630206840.db2.gz IRVRRPLWEVVDKZ-GOSISDBHSA-N -1 3 270.354 1.158 10 0 CDAEHM COc1ncc(S(=O)(=O)[N-][C@H]2C[C@H](SC)C2)s1 ZINC000918860823 632456104 /nfs/dbraw/zinc/45/61/04/632456104.db2.gz FAPUKPLFJCBGKG-LJGSYFOKSA-N -1 3 294.423 1.324 10 0 CDAEHM Cc1ocnc1C[N-]S(=O)(=O)c1ccc(N)cc1F ZINC000397918356 1160085240 /nfs/dbraw/zinc/08/52/40/1160085240.db2.gz 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/nfs/dbraw/zinc/32/46/28/1168324628.db2.gz LXDZXVBVPZTYTC-UHFFFAOYSA-N -1 3 275.356 1.171 10 0 CDAEHM O=C([C@@H]1CCCSC1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001649334077 1169208220 /nfs/dbraw/zinc/20/82/20/1169208220.db2.gz HURDJZPMTADLHX-LLVKDONJSA-N -1 3 295.412 1.124 10 0 CDAEHM O=C([C@@H]1CCCSC1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001649334077 1169208232 /nfs/dbraw/zinc/20/82/32/1169208232.db2.gz HURDJZPMTADLHX-LLVKDONJSA-N -1 3 295.412 1.124 10 0 CDAEHM CSc1nc(NC(=O)C(=O)c2cccc(C)c2)n[n-]1 ZINC001598291393 1174312384 /nfs/dbraw/zinc/31/23/84/1174312384.db2.gz MBTPGVWIQKTHGY-UHFFFAOYSA-N -1 3 276.321 1.656 10 0 CDAEHM C/C=C(/C)C(=O)N1CC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001689791656 1175243946 /nfs/dbraw/zinc/24/39/46/1175243946.db2.gz QKMBLPIIXGBCNV-LCKPPEIMSA-N -1 3 288.347 1.689 10 0 CDAEHM CCC(=O)N(C)CCOCCNC(=O)c1ccccc1[O-] ZINC001701535430 1177334129 /nfs/dbraw/zinc/33/41/29/1177334129.db2.gz OUZKTCHTSYJVEB-UHFFFAOYSA-N -1 3 294.351 1.007 10 0 CDAEHM CC(C)=C(F)C(=O)NC[C@H](C)NC(=O)c1ccccc1[O-] 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CC(C)(O)[C@H]1CCN(C(=O)c2c([O-])cccc2O)C1 ZINC000721854157 750121058 /nfs/dbraw/zinc/12/10/58/750121058.db2.gz XNDZAOYIRHTWNU-VIFPVBQESA-N -1 3 265.309 1.331 10 0 CDAEHM O=C(Nc1ncccc1[O-])[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000867342536 750126645 /nfs/dbraw/zinc/12/66/45/750126645.db2.gz WYFBUSPOQZQPOX-SFYZADRCSA-N -1 3 292.213 1.072 10 0 CDAEHM CCn1nncc1COC(=O)c1cc2occc2[n-]1 ZINC000837682009 750540426 /nfs/dbraw/zinc/54/04/26/750540426.db2.gz MHKXXWVPSFHTSJ-UHFFFAOYSA-N -1 3 260.253 1.729 10 0 CDAEHM O=C([N-]OCc1ccc(F)cc1)Nc1nncs1 ZINC000186357302 750588356 /nfs/dbraw/zinc/58/83/56/750588356.db2.gz FJYZFMDKXGNJLV-UHFFFAOYSA-N -1 3 268.273 1.931 10 0 CDAEHM C[C@@H]1CN(CCC[N-]C(=O)C(F)(F)F)C[C@@H](C)C1=O ZINC000852474574 750819023 /nfs/dbraw/zinc/81/90/23/750819023.db2.gz QJTYDWHBMWKOIS-RKDXNWHRSA-N -1 3 280.290 1.212 10 0 CDAEHM O=C(c1nnc2ccccc2c1[O-])N1CC2(C1)CCCO2 ZINC000862819323 750824827 /nfs/dbraw/zinc/82/48/27/750824827.db2.gz CRYSQGJGGQCHLK-UHFFFAOYSA-N -1 3 285.303 1.340 10 0 CDAEHM COC(=O)c1cc(C(=O)OCc2cc(C)nnc2C)c[n-]1 ZINC000861058131 750831143 /nfs/dbraw/zinc/83/11/43/750831143.db2.gz QXSHBZFCROGNAV-UHFFFAOYSA-N -1 3 289.291 1.565 10 0 CDAEHM CCOc1nnc(NC(=O)c2ccc(C)c(F)c2)[n-]1 ZINC000228772463 750874560 /nfs/dbraw/zinc/87/45/60/750874560.db2.gz RTVDWWZLHJSDHP-UHFFFAOYSA-N -1 3 264.260 1.903 10 0 CDAEHM CCOc1nc(NC(=O)c2ccc(C)c(F)c2)n[n-]1 ZINC000228772463 750874562 /nfs/dbraw/zinc/87/45/62/750874562.db2.gz RTVDWWZLHJSDHP-UHFFFAOYSA-N -1 3 264.260 1.903 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2ccc(C)c(F)c2)n1 ZINC000228772463 750874565 /nfs/dbraw/zinc/87/45/65/750874565.db2.gz RTVDWWZLHJSDHP-UHFFFAOYSA-N -1 3 264.260 1.903 10 0 CDAEHM Cc1nn(C)cc1NC(=O)c1[n-]cnc1C(F)(F)F ZINC000828535874 751188506 /nfs/dbraw/zinc/18/85/06/751188506.db2.gz NGJIHDYTNRSFHI-UHFFFAOYSA-N -1 3 273.218 1.723 10 0 CDAEHM Cc1nn(C)cc1NC(=O)c1nc[n-]c1C(F)(F)F ZINC000828535874 751188509 /nfs/dbraw/zinc/18/85/09/751188509.db2.gz NGJIHDYTNRSFHI-UHFFFAOYSA-N -1 3 273.218 1.723 10 0 CDAEHM NC(=O)CON=C([O-])Nc1cc(-c2ccccc2F)on1 ZINC000788831733 751228312 /nfs/dbraw/zinc/22/83/12/751228312.db2.gz QHJZHJLJQHRXBJ-UHFFFAOYSA-N -1 3 294.242 1.019 10 0 CDAEHM NC(=O)CO[N-]C(=O)Nc1cc(-c2ccccc2F)on1 ZINC000788831733 751228317 /nfs/dbraw/zinc/22/83/17/751228317.db2.gz QHJZHJLJQHRXBJ-UHFFFAOYSA-N -1 3 294.242 1.019 10 0 CDAEHM Cc1nc(C)c(CC(=O)N[C@@H]2CCCC23CC3)c(=O)[n-]1 ZINC000869748169 752325808 /nfs/dbraw/zinc/32/58/08/752325808.db2.gz YHHKKRLLIHXUGN-GFCCVEGCSA-N -1 3 275.352 1.790 10 0 CDAEHM CCCC[C@@H](NC(=O)C[C@H](N)c1ccccc1)C(=O)[O-] ZINC000040482407 752389578 /nfs/dbraw/zinc/38/95/78/752389578.db2.gz DBYOEZPKPLUGGI-QWHCGFSZSA-N -1 3 278.352 1.836 10 0 CDAEHM CCN1C[C@H](CNC(C)(C)c2nc(C)cc(=O)[n-]2)OC1=O ZINC000852145410 752453964 /nfs/dbraw/zinc/45/39/64/752453964.db2.gz NPCACEFBONYSBG-JTQLQIEISA-N -1 3 294.355 1.156 10 0 CDAEHM COC(=O)C(=O)[C@@H](C)OC(=O)c1cc2occc2[n-]1 ZINC000786029587 752468613 /nfs/dbraw/zinc/46/86/13/752468613.db2.gz OUFUSTKRCBYMNU-ZCFIWIBFSA-N -1 3 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277.349 1.650 10 0 CDAEHM Cc1ncc2c(c1CNC(=O)c1ncccc1[O-])CCNC2 ZINC000072407406 176398143 /nfs/dbraw/zinc/39/81/43/176398143.db2.gz VJRLVFBJMXKIBX-UHFFFAOYSA-N -1 3 298.346 1.066 10 0 CDAEHM Cc1cccc(CNC(=O)Cc2c(C)nc(C)[n-]c2=O)n1 ZINC000518064791 260340003 /nfs/dbraw/zinc/34/00/03/260340003.db2.gz WIQAHQHYOKMDQY-UHFFFAOYSA-N -1 3 286.335 1.361 10 0 CDAEHM C[C@H]1CCN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@H]1O ZINC000221896086 262320105 /nfs/dbraw/zinc/32/01/05/262320105.db2.gz NAKQJJWQXCGLEA-IINYFYTJSA-N -1 3 286.331 1.371 10 0 CDAEHM O=C(CC[C@@H]1CCOC1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000525967246 262356445 /nfs/dbraw/zinc/35/64/45/262356445.db2.gz YUMAPWRRTHNPTQ-ZYHUDNBSSA-N -1 3 279.340 1.438 10 0 CDAEHM CO[C@@](C)(CO)CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000655217418 423877937 /nfs/dbraw/zinc/87/79/37/423877937.db2.gz OMVRWBAEHAJIHI-MRXNPFEDSA-N -1 3 293.363 1.398 10 0 CDAEHM COc1cc(C(=O)NCCC2(CO)CCC2)ccc1[O-] ZINC000652932165 423902669 /nfs/dbraw/zinc/90/26/69/423902669.db2.gz 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ZINC000272385557 278085113 /nfs/dbraw/zinc/08/51/13/278085113.db2.gz CGEWPTQIKOCMBE-NHYWBVRUSA-N -1 3 284.319 1.656 10 0 CDAEHM Cc1ccc(C(=O)NC[C@]2(CCO)CCOC2)c([O-])c1C ZINC000119457145 279364332 /nfs/dbraw/zinc/36/43/32/279364332.db2.gz KZKKUTWQJRFHOW-INIZCTEOSA-N -1 3 293.363 1.528 10 0 CDAEHM CC[C@H]1CCCCN1Cc1c(C(=O)[O-])cnn1C ZINC000062183576 288198295 /nfs/dbraw/zinc/19/82/95/288198295.db2.gz YURDUXUNYJSEDQ-JTQLQIEISA-N -1 3 251.330 1.883 10 0 CDAEHM COc1cccc(-c2nc(-c3cncn3C)no2)c1[O-] ZINC000227402211 280105032 /nfs/dbraw/zinc/10/50/32/280105032.db2.gz HLKQGFNSMRKEAH-UHFFFAOYSA-N -1 3 272.264 1.851 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@](O)(C(F)(F)F)C2)n1 ZINC000248760542 280380718 /nfs/dbraw/zinc/38/07/18/280380718.db2.gz QLPSFUQSRLSWKW-KWQFWETISA-N -1 3 291.273 1.551 10 0 CDAEHM CCC(CC)[C@H](C)C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000517035504 280969350 /nfs/dbraw/zinc/96/93/50/280969350.db2.gz LIPGHQGOPXHNGI-JQWIXIFHSA-N -1 3 293.415 1.963 10 0 CDAEHM COc1cc(=NC(=O)[C@@H]2CCC[C@H](F)C2)[n-]n1C ZINC000521228592 281070251 /nfs/dbraw/zinc/07/02/51/281070251.db2.gz FIPATJFXVGIBPN-BDAKNGLRSA-N -1 3 255.293 1.317 10 0 CDAEHM COc1cc(=NC(=O)c2cccc([N+](=O)[O-])c2)[n-]n1C ZINC000547494030 289780673 /nfs/dbraw/zinc/78/06/73/289780673.db2.gz POENBFGBZGVNOV-UHFFFAOYSA-N -1 3 276.252 1.011 10 0 CDAEHM CCC[C@@H]1C[C@H](C(=O)N=c2cc(OC)n(C)[n-]2)CCO1 ZINC000548471668 289891735 /nfs/dbraw/zinc/89/17/35/289891735.db2.gz XTUKTBPIJPTYMA-GHMZBOCLSA-N -1 3 281.356 1.384 10 0 CDAEHM COc1cc(=NC(=O)CCc2cncc(C)c2)[n-]n1C ZINC000551878684 290021220 /nfs/dbraw/zinc/02/12/20/290021220.db2.gz YMQLKHIMUVWGPD-UHFFFAOYSA-N -1 3 274.324 1.125 10 0 CDAEHM CO[C@H]1CCCC[C@H]1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000551902770 290023985 /nfs/dbraw/zinc/02/39/85/290023985.db2.gz SFTCEJZXZMFDBX-MFKMUULPSA-N -1 3 291.351 1.272 10 0 CDAEHM O=c1[n-]c(C2CCN(CCn3cc(Cl)cn3)CC2)n[nH]1 ZINC000556782739 290298168 /nfs/dbraw/zinc/29/81/68/290298168.db2.gz UDHABBQNGQZHFS-UHFFFAOYSA-N -1 3 296.762 1.240 10 0 CDAEHM O=C(NCc1ncccc1[O-])[C@@H]1CCc2cccc(O)c21 ZINC000556814322 290303139 /nfs/dbraw/zinc/30/31/39/290303139.db2.gz GPXSTCZNWQQLHS-LLVKDONJSA-N -1 3 284.315 1.839 10 0 CDAEHM Cc1cc(C)cc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)c1 ZINC000559253203 290441277 /nfs/dbraw/zinc/44/12/77/290441277.db2.gz YATWOAHEIHGVBK-ZDUSSCGKSA-N -1 3 299.378 1.822 10 0 CDAEHM C[C@H](OCC(=O)Nc1cccc([O-])c1F)c1nccn1C ZINC000562346228 293139482 /nfs/dbraw/zinc/13/94/82/293139482.db2.gz KLLNEVNNSRCNDF-VIFPVBQESA-N -1 3 293.298 1.981 10 0 CDAEHM O=C(N[C@@H]1C[C@H]1C1CC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000569064729 294148594 /nfs/dbraw/zinc/14/85/94/294148594.db2.gz DFCOXGAGIDCHJX-CMPLNLGQSA-N -1 3 270.288 1.099 10 0 CDAEHM N[C@H](CO)c1cc(Br)ccc1C(=O)[O-] ZINC000072199290 303480972 /nfs/dbraw/zinc/48/09/72/303480972.db2.gz BELTXFINLWFIJM-MRVPVSSYSA-N -1 3 260.087 1.139 10 0 CDAEHM O=C(NCCc1cccnc1)NCc1ncccc1[O-] ZINC000349430837 316125870 /nfs/dbraw/zinc/12/58/70/316125870.db2.gz UBXCIYYHIQDCRH-UHFFFAOYSA-N -1 3 272.308 1.224 10 0 CDAEHM CO[C@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)CC[C@H]1C ZINC000563389433 316285647 /nfs/dbraw/zinc/28/56/47/316285647.db2.gz ZIVGDSHCMQOUQD-SKDRFNHKSA-N -1 3 291.351 1.557 10 0 CDAEHM CC[C@@H](NC(=O)c1cccc2nn[n-]c21)[C@H](O)C(F)F ZINC000563597618 316338161 /nfs/dbraw/zinc/33/81/61/316338161.db2.gz VEDRPQQBYBMWRK-XCBNKYQSSA-N -1 3 284.266 1.092 10 0 CDAEHM CC[C@@H](NC(=O)c1cccc2[n-]nnc21)[C@H](O)C(F)F ZINC000563597618 316338163 /nfs/dbraw/zinc/33/81/63/316338163.db2.gz VEDRPQQBYBMWRK-XCBNKYQSSA-N -1 3 284.266 1.092 10 0 CDAEHM CC[C@@H](NC(=O)c1cccc2n[n-]nc21)[C@H](O)C(F)F ZINC000563597618 316338166 /nfs/dbraw/zinc/33/81/66/316338166.db2.gz VEDRPQQBYBMWRK-XCBNKYQSSA-N -1 3 284.266 1.092 10 0 CDAEHM CC(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000563891179 316392797 /nfs/dbraw/zinc/39/27/97/316392797.db2.gz BDVCZQMELQQLBJ-IJLUTSLNSA-N -1 3 291.399 1.573 10 0 CDAEHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cscn2)[C@H](C)O1 ZINC000575799433 317015928 /nfs/dbraw/zinc/01/59/28/317015928.db2.gz HDDLYDDWGRYKFR-VGMNWLOBSA-N -1 3 276.383 1.235 10 0 CDAEHM CCc1cnc(C[N-]S(=O)(=O)C[C@H](OC)C2CC2)o1 ZINC000576035214 317062239 /nfs/dbraw/zinc/06/22/39/317062239.db2.gz GAPULLSPCBOVNO-NSHDSACASA-N -1 3 288.369 1.081 10 0 CDAEHM CCCn1c(=O)[n-]nc1SC[C@@H]1CCCN(C)C1=O ZINC000576061844 317068107 /nfs/dbraw/zinc/06/81/07/317068107.db2.gz OUSSHQJGFKFYCD-VIFPVBQESA-N -1 3 284.385 1.354 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1Cc2ccccc2O1)c1cscn1 ZINC000576103632 317075809 /nfs/dbraw/zinc/07/58/09/317075809.db2.gz FNYVYYHNFYPHHP-JTQLQIEISA-N -1 3 296.373 1.425 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N2CCNC[C@H]2C(F)F)c1 ZINC000576519008 317154222 /nfs/dbraw/zinc/15/42/22/317154222.db2.gz DBPRDKWXUOSWNW-NSHDSACASA-N -1 3 284.306 1.634 10 0 CDAEHM CCC(C)(C)NC(=O)CN1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000576754408 317200777 /nfs/dbraw/zinc/20/07/77/317200777.db2.gz AYYYMPJJYAXBBY-GHMZBOCLSA-N -1 3 270.373 1.334 10 0 CDAEHM O=S(=O)([N-][C@@H]1c2ccccc2C[C@@H]1O)c1cscn1 ZINC000577509975 317346592 /nfs/dbraw/zinc/34/65/92/317346592.db2.gz OPPJTWLDDAYWGG-CMPLNLGQSA-N -1 3 296.373 1.080 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000577914666 317430403 /nfs/dbraw/zinc/43/04/03/317430403.db2.gz LLQMVVKUFGRMPL-CYBMUJFWSA-N -1 3 275.304 1.212 10 0 CDAEHM CCCC[C@H](NC(=O)NCC)C(=O)Nc1ncccc1[O-] ZINC000181004226 323225334 /nfs/dbraw/zinc/22/53/34/323225334.db2.gz QGZWMVPXWXTDEG-JTQLQIEISA-N -1 3 294.355 1.604 10 0 CDAEHM CC[C@@H]1[C@H](CO)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000385918763 323725882 /nfs/dbraw/zinc/72/58/82/323725882.db2.gz SLMYOUOGSYDWTE-JOYOIKCWSA-N -1 3 265.309 1.331 10 0 CDAEHM CCCn1c(C)nnc1CN1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000580085670 324365654 /nfs/dbraw/zinc/36/56/54/324365654.db2.gz YDONPEIHLUDHHM-SCRDCRAPSA-N -1 3 292.383 1.682 10 0 CDAEHM Cc1cc(CS(=O)(=O)[N-]CCOCC2CCC2)on1 ZINC000582215056 324930709 /nfs/dbraw/zinc/93/07/09/324930709.db2.gz YDAKJFAZXKZLSV-UHFFFAOYSA-N -1 3 288.369 1.219 10 0 CDAEHM CC1(C)Cc2ccc(C(=O)N[C@H]3C[C@@](C)(O)C3)c([O-])c2O1 ZINC000582654576 325016327 /nfs/dbraw/zinc/01/63/27/325016327.db2.gz VREZUMXNSOTLQY-RSVKCKOMSA-N -1 3 291.347 1.749 10 0 CDAEHM CN(C)Cc1cccc(C(=O)N(CC(=O)[O-])CC2CC2)c1 ZINC000653325418 482448682 /nfs/dbraw/zinc/44/86/82/482448682.db2.gz ZGEJOMBFFDMHSX-UHFFFAOYSA-N -1 3 290.363 1.685 10 0 CDAEHM COc1cc(=NC(=O)C2CCC(C(C)(C)O)CC2)[n-]n1C ZINC000651763045 482449853 /nfs/dbraw/zinc/44/98/53/482449853.db2.gz DKOZXOVMQDKPND-UHFFFAOYSA-N -1 3 295.383 1.366 10 0 CDAEHM CCN1CC[C@@H]([N-]c2nc(C(F)(F)F)ns2)C1=O ZINC000672278597 482534371 /nfs/dbraw/zinc/53/43/71/482534371.db2.gz CZNRJLSHNHNARC-RXMQYKEDSA-N -1 3 280.275 1.590 10 0 CDAEHM CN1CCC[C@H](C(=O)Nc2ccc(Cl)cc2[O-])C1=O ZINC000296205104 482717955 /nfs/dbraw/zinc/71/79/55/482717955.db2.gz CHPOAYBURILKKE-SECBINFHSA-N -1 3 282.727 1.853 10 0 CDAEHM Cn1ncc(NC(=O)c2ccc3n[n-]nc3c2)c1C(F)F ZINC000677605656 482727988 /nfs/dbraw/zinc/72/79/88/482727988.db2.gz QHLZJEUHDCHCLP-UHFFFAOYSA-N -1 3 292.249 1.881 10 0 CDAEHM C[C@H](C[C@H]1CCOC1)NC(=O)NCc1ncccc1[O-] ZINC000684273722 482731922 /nfs/dbraw/zinc/73/19/22/482731922.db2.gz PLSWFKUWQLFHRW-GHMZBOCLSA-N -1 3 279.340 1.402 10 0 CDAEHM O=C(NCC1(O)CCC1)c1cc2c(cc1[O-])CCCC2 ZINC000673939998 482899990 /nfs/dbraw/zinc/89/99/90/482899990.db2.gz JHLXGEYNNAWUOX-UHFFFAOYSA-N -1 3 275.348 1.916 10 0 CDAEHM CCc1ccc(C(=O)N[C@@H]2CCN(CC)C2=O)c([O-])c1 ZINC000670170851 482939920 /nfs/dbraw/zinc/93/99/20/482939920.db2.gz YPDPNHNRVWGXER-GFCCVEGCSA-N -1 3 276.336 1.305 10 0 CDAEHM CO[C@H]1CC[C@H](C(=O)Nc2nnc(-c3ccccn3)[n-]2)C1 ZINC000667023063 483055835 /nfs/dbraw/zinc/05/58/35/483055835.db2.gz ARNKMZIMRPNBQR-UWVGGRQHSA-N -1 3 287.323 1.620 10 0 CDAEHM CO[C@H]1CC[C@H](C(=O)Nc2nc(-c3ccccn3)n[n-]2)C1 ZINC000667023063 483055842 /nfs/dbraw/zinc/05/58/42/483055842.db2.gz ARNKMZIMRPNBQR-UWVGGRQHSA-N -1 3 287.323 1.620 10 0 CDAEHM CO[C@H]1CC[C@H](C(=O)Nc2n[n-]c(-c3ccccn3)n2)C1 ZINC000667023063 483055847 /nfs/dbraw/zinc/05/58/47/483055847.db2.gz ARNKMZIMRPNBQR-UWVGGRQHSA-N -1 3 287.323 1.620 10 0 CDAEHM Cc1nc(C)c(CCC(=O)NCC[C@H]2CCCO2)c(=O)[n-]1 ZINC000078561384 483100960 /nfs/dbraw/zinc/10/09/60/483100960.db2.gz OFKUCWSYGUGKBR-GFCCVEGCSA-N -1 3 293.367 1.005 10 0 CDAEHM CN(C)C1(CNC(=O)c2c([O-])cc(F)cc2F)CCC1 ZINC000682168984 483162281 /nfs/dbraw/zinc/16/22/81/483162281.db2.gz UYROYXXHVJSBBK-UHFFFAOYSA-N -1 3 284.306 1.885 10 0 CDAEHM COc1cccc(C(=O)N[C@H](C)C[C@@H]2CCOC2)c1[O-] ZINC000675415643 483300651 /nfs/dbraw/zinc/30/06/51/483300651.db2.gz HCSABWYMVXOZFO-MNOVXSKESA-N -1 3 279.336 1.946 10 0 CDAEHM Cc1cc([N-]C(=O)[C@H](C)N2CC[C@H](C)[C@@H](F)C2)on1 ZINC000679217720 483303437 /nfs/dbraw/zinc/30/34/37/483303437.db2.gz BCKZDWMOJOVRNU-LSJOCFKGSA-N -1 3 269.320 1.990 10 0 CDAEHM CCCN(C)S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000675752964 483361697 /nfs/dbraw/zinc/36/16/97/483361697.db2.gz YVWFGEVVYLDQHI-UHFFFAOYSA-N -1 3 270.358 1.353 10 0 CDAEHM C[C@@H]1CC[C@@]2(CCN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)C2)C1 ZINC000679758988 483435487 /nfs/dbraw/zinc/43/54/87/483435487.db2.gz CUFLKOSUDOICBY-UEKVPHQBSA-N -1 3 293.367 1.013 10 0 CDAEHM CCCn1cc(C(=O)[N-]c2ncn(C(C)(C)C)n2)nn1 ZINC000680107156 483538671 /nfs/dbraw/zinc/53/86/71/483538671.db2.gz GGQZGJAHHWHKFP-UHFFFAOYSA-N -1 3 277.332 1.287 10 0 CDAEHM COc1nnc([N-]C(=O)c2nc(C)c(C)s2)s1 ZINC000683760708 483630058 /nfs/dbraw/zinc/63/00/58/483630058.db2.gz MXDUVLZWKUDYPX-UHFFFAOYSA-N -1 3 270.339 1.872 10 0 CDAEHM CC(C)[C@H](CN(C)C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000049196580 519814276 /nfs/dbraw/zinc/81/42/76/519814276.db2.gz VBEYSDALWHGXRB-AVGNSLFASA-N -1 3 284.400 1.580 10 0 CDAEHM CCN(C(=O)[C@H](N)Cc1ccccc1)[C@H](C)CC(=O)[O-] ZINC000061183862 520044658 /nfs/dbraw/zinc/04/46/58/520044658.db2.gz IHCQYXIINDAQOX-DGCLKSJQSA-N -1 3 278.352 1.268 10 0 CDAEHM CCN(CC)C(=O)[C@H](C)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925540 520531660 /nfs/dbraw/zinc/53/16/60/520531660.db2.gz OSODLEUZGQOURO-QWHCGFSZSA-N -1 3 284.400 1.963 10 0 CDAEHM CCOC(=O)[C@](C)(N)C[C@H](C)Sc1nc(C)cc(=O)[n-]1 ZINC000068637454 521328990 /nfs/dbraw/zinc/32/89/90/521328990.db2.gz CPHFKLUHEUMABZ-TVQRCGJNSA-N -1 3 299.396 1.230 10 0 CDAEHM CCc1cc(=O)[n-]c(CSC[C@H](O)C(F)(F)F)n1 ZINC000191141037 536154493 /nfs/dbraw/zinc/15/44/93/536154493.db2.gz SHXGPTVREGHMRY-ZETCQYMHSA-N -1 3 282.287 1.901 10 0 CDAEHM COc1cc(=NC(=O)c2cccc3cccnc32)[n-]n1C ZINC000547815759 518130679 /nfs/dbraw/zinc/13/06/79/518130679.db2.gz DDRCEVKPNRNMEE-UHFFFAOYSA-N -1 3 282.303 1.651 10 0 CDAEHM CC(C)(C)OC(=O)CNC(=O)c1cccc([O-])c1 ZINC000182453237 518792760 /nfs/dbraw/zinc/79/27/60/518792760.db2.gz IFYQPUIWBNXEAU-UHFFFAOYSA-N -1 3 251.282 1.464 10 0 CDAEHM CC(C)N(CCCC(=O)[O-])CC(=O)N(C)C1CC1 ZINC000049306401 519642546 /nfs/dbraw/zinc/64/25/46/519642546.db2.gz MLRVRTULXZDNHF-UHFFFAOYSA-N -1 3 256.346 1.182 10 0 CDAEHM CC(C)c1ccc(C(=O)N[C@H]2CCCNC2=O)c([O-])c1 ZINC000049500535 519835257 /nfs/dbraw/zinc/83/52/57/519835257.db2.gz XEDISZJAPRQUSI-LBPRGKRZSA-N -1 3 276.336 1.524 10 0 CDAEHM CCO[C@@H](CCN1CCN([C@@H](C)CC)CC1)C(=O)[O-] ZINC000062756724 520295033 /nfs/dbraw/zinc/29/50/33/520295033.db2.gz RWCMVMZIQLXPPW-STQMWFEESA-N -1 3 272.389 1.282 10 0 CDAEHM CCC[C@@H](C)NC(=O)[C@H](C)N(CC)C[C@@H](C)C(=O)[O-] ZINC000061218671 520662628 /nfs/dbraw/zinc/66/26/28/520662628.db2.gz IAVKVJDBAWXBSI-UTUOFQBUSA-N -1 3 272.389 1.722 10 0 CDAEHM CCCC[C@H](NC(=O)N1CCC[C@H]1CN(C)C)C(=O)[O-] ZINC000061653915 521220614 /nfs/dbraw/zinc/22/06/14/521220614.db2.gz AEJZKUKNAQVYBI-RYUDHWBXSA-N -1 3 285.388 1.365 10 0 CDAEHM CCN(C[C@H](C)C(=O)[O-])C(=O)NC[C@@H](C)N1CCCCC1 ZINC000061226472 521241941 /nfs/dbraw/zinc/24/19/41/521241941.db2.gz LAOVWIYPVPLWFO-QWHCGFSZSA-N -1 3 299.415 1.613 10 0 CDAEHM CCC[C@](C)(CN1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000051287074 521266360 /nfs/dbraw/zinc/26/63/60/521266360.db2.gz RURCKJDGHAHELQ-OAHLLOKOSA-N -1 3 292.383 1.490 10 0 CDAEHM CCCN(C(=O)N1CCCN(CC(=O)[O-])CC1)C1CC1 ZINC000061145649 521425146 /nfs/dbraw/zinc/42/51/46/521425146.db2.gz ZQDJNFBQFAURAP-UHFFFAOYSA-N -1 3 283.372 1.073 10 0 CDAEHM CCCn1c(=O)[n-]nc1S[C@H](C)CC(=O)OCC ZINC000061593707 521616024 /nfs/dbraw/zinc/61/60/24/521616024.db2.gz UDVIYZFLSHIQQH-MRVPVSSYSA-N -1 3 273.358 1.415 10 0 CDAEHM CCNC(=O)[C@@H](C)N1CCC(CCC(=O)[O-])CC1 ZINC000050926442 521743249 /nfs/dbraw/zinc/74/32/49/521743249.db2.gz CLGPOZQASNWXMG-SNVBAGLBSA-N -1 3 256.346 1.088 10 0 CDAEHM CNC(C)(C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-] ZINC000061317939 521941626 /nfs/dbraw/zinc/94/16/26/521941626.db2.gz OZDUXGWJQYOLFH-UHFFFAOYSA-N -1 3 296.323 1.339 10 0 CDAEHM COc1cc(C)nc(CN[C@@]2(C(=O)[O-])CCSC2)c1 ZINC000340677577 522290845 /nfs/dbraw/zinc/29/08/45/522290845.db2.gz LEGNJDIQWJUCNV-ZDUSSCGKSA-N -1 3 282.365 1.449 10 0 CDAEHM CN[C@@](CO[C@@H](C)COC)(C(=O)[O-])c1ccccc1 ZINC000069510842 522427469 /nfs/dbraw/zinc/42/74/69/522427469.db2.gz OLPGFHCDYPSEHG-SMDDNHRTSA-N -1 3 267.325 1.237 10 0 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C[C@@H](CNC(=O)c1ccccc1[O-])N(C)C(=O)C(F)F ZINC001486806576 921219193 /nfs/dbraw/zinc/21/91/93/921219193.db2.gz WBKJVOYTAACMSO-QMMMGPOBSA-N -1 3 286.278 1.234 10 0 CDAEHM Cc1conc1CNC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001483110211 909401962 /nfs/dbraw/zinc/40/19/62/909401962.db2.gz UGEDDERJCLTHAO-LLVKDONJSA-N -1 3 289.335 1.597 10 0 CDAEHM COC(=O)c1ccnc(C(=O)[N-]c2nnc(C)s2)c1 ZINC001361315458 909923870 /nfs/dbraw/zinc/92/38/70/909923870.db2.gz DUWQOTKZWHKCGH-UHFFFAOYSA-N -1 3 278.293 1.280 10 0 CDAEHM Cn1nc(-c2ccncc2)cc1C(=O)Nc1ncccc1[O-] ZINC001138164957 936483459 /nfs/dbraw/zinc/48/34/59/936483459.db2.gz HWCQUTXONGKCEB-UHFFFAOYSA-N -1 3 295.302 1.835 10 0 CDAEHM CC[C@H](CO)C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001413716495 936718397 /nfs/dbraw/zinc/71/83/97/936718397.db2.gz WTUIOQVQUXIWAG-PHDIDXHHSA-N -1 3 280.250 1.019 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001144233337 931714023 /nfs/dbraw/zinc/71/40/23/931714023.db2.gz XRYKZFRPTOHSJV-DOMZBBRYSA-N -1 3 277.368 1.751 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ncc(Cl)s1 ZINC001411766599 932007462 /nfs/dbraw/zinc/00/74/62/932007462.db2.gz OBJOLZIDXFHTJT-ZCFIWIBFSA-N -1 3 286.744 1.038 10 0 CDAEHM CCSC1(C[N-]S(=O)(=O)c2cccnc2F)CC1 ZINC000691860413 934672454 /nfs/dbraw/zinc/67/24/54/934672454.db2.gz GNMBKKGYHTZBQB-UHFFFAOYSA-N -1 3 290.385 1.785 10 0 CDAEHM CC(C)c1ncc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)[nH]1 ZINC001164349197 939461495 /nfs/dbraw/zinc/46/14/95/939461495.db2.gz ZUVLJVFCCWBKHL-UHFFFAOYSA-N -1 3 293.352 1.247 10 0 CDAEHM Cc1oc(C(=O)[O-])cc1CN[C@@]1(C)CCO[C@H]1C ZINC000300614284 940765422 /nfs/dbraw/zinc/76/54/22/940765422.db2.gz RFGMPNHZWWVKJR-ZANVPECISA-N -1 3 253.298 1.943 10 0 CDAEHM CC1(C2([N-]S(=O)(=O)c3cccnc3F)CC2)CC1 ZINC000401829502 940881941 /nfs/dbraw/zinc/88/19/41/940881941.db2.gz MRHWWNCRLJOUCV-UHFFFAOYSA-N -1 3 270.329 1.832 10 0 CDAEHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccnc2F)C1 ZINC000401883770 940884451 /nfs/dbraw/zinc/88/44/51/940884451.db2.gz OUCOYSVPDXICNQ-IUCAKERBSA-N -1 3 258.318 1.688 10 0 CDAEHM Cc1cn(C)nc1CN1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001473767494 970847532 /nfs/dbraw/zinc/84/75/32/970847532.db2.gz GDRWKVNUMPWFFZ-UHFFFAOYSA-N -1 3 285.351 1.617 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1csc(Cl)n1 ZINC001362122909 970915355 /nfs/dbraw/zinc/91/53/55/970915355.db2.gz HIPWZFLRCVNTAT-ZCFIWIBFSA-N -1 3 286.744 1.038 10 0 CDAEHM CSc1ncc(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)c(=O)[n-]1 ZINC001362242750 971061875 /nfs/dbraw/zinc/06/18/75/971061875.db2.gz FTHJNAOALJYAKO-IUCAKERBSA-N -1 3 296.396 1.069 10 0 CDAEHM Cc1ccc(O[C@H](C)CNC(=O)c2cnncc2[O-])cc1 ZINC001362302407 971135361 /nfs/dbraw/zinc/13/53/61/971135361.db2.gz UYTKPRJOMATQGC-LLVKDONJSA-N -1 3 287.319 1.688 10 0 CDAEHM CC(C)[C@H](CO)O[N-]C(=O)CCc1nnc(C(F)F)o1 ZINC001261877636 946314582 /nfs/dbraw/zinc/31/45/82/946314582.db2.gz NMXJXYNHBLXQIR-ZETCQYMHSA-N -1 3 293.270 1.005 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1cc(C(=O)[O-])n[nH]1 ZINC001262159957 946480433 /nfs/dbraw/zinc/48/04/33/946480433.db2.gz OWRYYILQPOEOAO-SDCKUUTBSA-N -1 3 253.302 1.009 10 0 CDAEHM Cc1cc(F)ccc1CCNC(=O)c1cnncc1[O-] ZINC001362439636 971274476 /nfs/dbraw/zinc/27/44/76/971274476.db2.gz GENDQQHDZCYNKZ-UHFFFAOYSA-N -1 3 275.283 1.602 10 0 CDAEHM CCN1CCN(C(=O)c2cnc(SC)[n-]c2=O)[C@H](C)C1 ZINC001362667992 971511765 /nfs/dbraw/zinc/51/17/65/971511765.db2.gz XZINHTQONFPVTI-SECBINFHSA-N -1 3 296.396 1.070 10 0 CDAEHM C[C@H](NC(=O)c1cc(F)c[nH]1)c1nc(C(F)(F)F)n[n-]1 ZINC001363004048 971806946 /nfs/dbraw/zinc/80/69/46/971806946.db2.gz RDURWVMECRHELS-BYPYZUCNSA-N -1 3 291.208 1.782 10 0 CDAEHM Cc1nc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)c(C)o1 ZINC001363622306 953563165 /nfs/dbraw/zinc/56/31/65/953563165.db2.gz DAEPFMMHWUNINE-UHFFFAOYSA-N -1 3 292.295 1.832 10 0 CDAEHM Cc1nc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)c(C)o1 ZINC001363622306 953563173 /nfs/dbraw/zinc/56/31/73/953563173.db2.gz DAEPFMMHWUNINE-UHFFFAOYSA-N -1 3 292.295 1.832 10 0 CDAEHM C[C@H](NC(=O)C1CCOCC1)c1nc(C(F)(F)F)n[n-]1 ZINC001363718680 953696198 /nfs/dbraw/zinc/69/61/98/953696198.db2.gz XQSOWURMERUPIG-LURJTMIESA-N -1 3 292.261 1.427 10 0 CDAEHM CCOC(=O)c1nc[nH]c1CNC(=O)c1ccccc1[O-] ZINC001363734706 953719115 /nfs/dbraw/zinc/71/91/15/953719115.db2.gz RKQCXPLWMUBPKG-UHFFFAOYSA-N -1 3 289.291 1.222 10 0 CDAEHM COc1ccc(C(=O)N[C@@H]2CC[C@@H]([S@](C)=O)C2)c([O-])c1 ZINC001363207214 971979611 /nfs/dbraw/zinc/97/96/11/971979611.db2.gz JICYQMRQSYXYKT-MTTWPYTGSA-N -1 3 297.376 1.430 10 0 CDAEHM CCc1nccn1CCNC(=O)c1ccc(F)c([O-])c1 ZINC001364048887 954159878 /nfs/dbraw/zinc/15/98/78/954159878.db2.gz IJEXAKGJRBSKSE-UHFFFAOYSA-N -1 3 277.299 1.720 10 0 CDAEHM O=C(NCCc1nnc[nH]1)c1cc2sccc2c([O-])c1 ZINC001293424178 954361440 /nfs/dbraw/zinc/36/14/40/954361440.db2.gz FJOLCOQNTRDXCK-UHFFFAOYSA-N -1 3 288.332 1.698 10 0 CDAEHM CC(C)c1noc([C@@H](C)N2CC[C@H](c3nnn[n-]3)C2)n1 ZINC001363291057 972058233 /nfs/dbraw/zinc/05/82/33/972058233.db2.gz LFLROBRTYWFVMN-BDAKNGLRSA-N -1 3 277.332 1.257 10 0 CDAEHM CC(C)c1noc([C@@H](C)N2CC[C@H](c3nn[n-]n3)C2)n1 ZINC001363291057 972058236 /nfs/dbraw/zinc/05/82/36/972058236.db2.gz LFLROBRTYWFVMN-BDAKNGLRSA-N -1 3 277.332 1.257 10 0 CDAEHM CCN1CCN(C(=O)c2cccc([O-])c2F)[C@@H](C)C1 ZINC001297731514 955072821 /nfs/dbraw/zinc/07/28/21/955072821.db2.gz ZOVYFWMUFUZDGN-JTQLQIEISA-N -1 3 266.316 1.698 10 0 CDAEHM CCc1cccc(C(=O)Nc2cnc(C(N)=O)s2)c1[O-] ZINC001363311645 972077388 /nfs/dbraw/zinc/07/73/88/972077388.db2.gz SVHJSZPOALHORT-UHFFFAOYSA-N -1 3 291.332 1.762 10 0 CDAEHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001328383109 955280624 /nfs/dbraw/zinc/28/06/24/955280624.db2.gz DIDSJEWEYGSLQR-IEBDPFPHSA-N -1 3 299.321 1.440 10 0 CDAEHM Cc1nn(C)cc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C(F)(F)F ZINC001364961162 955424321 /nfs/dbraw/zinc/42/43/21/955424321.db2.gz TWXFSBTZHFGEIC-JGVFFNPUSA-N -1 3 297.302 1.205 10 0 CDAEHM Cc1nc[nH]c1C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001365029256 955518750 /nfs/dbraw/zinc/51/87/50/955518750.db2.gz WJGFJKATBCMUHH-RXMQYKEDSA-N -1 3 288.233 1.346 10 0 CDAEHM C[C@H](NC(=O)C1=COCC1)c1nc(C(F)(F)F)n[n-]1 ZINC001365028847 955520232 /nfs/dbraw/zinc/52/02/32/955520232.db2.gz RGMBBYUSHBASEK-YFKPBYRVSA-N -1 3 276.218 1.305 10 0 CDAEHM C[C@@H](C(=O)[O-])C1(NCc2cc3n(n2)CCCC3)CC1 ZINC001328997439 955611491 /nfs/dbraw/zinc/61/14/91/955611491.db2.gz GQABZXYEHPLDSH-JTQLQIEISA-N -1 3 263.341 1.562 10 0 CDAEHM Cc1nc(CN2CCC(Cc3nnn[n-]3)CC2)oc1C ZINC001365327405 955902744 /nfs/dbraw/zinc/90/27/44/955902744.db2.gz HOFDVAAGFAFKQG-UHFFFAOYSA-N -1 3 276.344 1.259 10 0 CDAEHM Cc1nc(CN2CCC(Cc3nn[n-]n3)CC2)oc1C ZINC001365327405 955902754 /nfs/dbraw/zinc/90/27/54/955902754.db2.gz HOFDVAAGFAFKQG-UHFFFAOYSA-N -1 3 276.344 1.259 10 0 CDAEHM CCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001423859691 957017582 /nfs/dbraw/zinc/01/75/82/957017582.db2.gz YOBKCBIRCCOOKV-WDEREUQCSA-N -1 3 278.352 1.815 10 0 CDAEHM CC(C)=CC(=O)N(C)[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001334160646 958889002 /nfs/dbraw/zinc/88/90/02/958889002.db2.gz ZEQHHDCRCAODHX-GFCCVEGCSA-N -1 3 290.363 1.935 10 0 CDAEHM O=C(N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)[C@]12C[C@H]1CCC2 ZINC001334251579 958975853 /nfs/dbraw/zinc/97/58/53/958975853.db2.gz BPATWOFDWOXCIP-GPCCPHFNSA-N -1 3 261.325 1.621 10 0 CDAEHM C[C@@H](C(=O)[N-]OCCCC(F)(F)F)[C@@H]1CCC(=O)N1 ZINC001335796356 960028256 /nfs/dbraw/zinc/02/82/56/960028256.db2.gz KBEXSAMAEOVIKY-SFYZADRCSA-N -1 3 282.262 1.291 10 0 CDAEHM Cn1c(=O)c2ccccc2n1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001336167442 960234121 /nfs/dbraw/zinc/23/41/21/960234121.db2.gz DCRGWNIEQHHHSN-UHFFFAOYSA-N -1 3 296.330 1.761 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1c(C)oc(C)c1C ZINC001433736686 960571746 /nfs/dbraw/zinc/57/17/46/960571746.db2.gz ZIRGLMVSWMTAJO-LLVKDONJSA-N -1 3 277.324 1.447 10 0 CDAEHM CN(C)C[C@H](NCc1c(F)cccc1F)C(=O)[O-] ZINC001339266613 962281272 /nfs/dbraw/zinc/28/12/72/962281272.db2.gz DURBEDXVMRXRHO-NSHDSACASA-N -1 3 258.268 1.069 10 0 CDAEHM CO[C@H](C)CC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001420209019 962578970 /nfs/dbraw/zinc/57/89/70/962578970.db2.gz DQCDYNPYXNVKNC-PHDIDXHHSA-N -1 3 280.250 1.426 10 0 CDAEHM CC(C)n1cnc([N-]C(=O)c2cn(-c3cccnc3)nn2)n1 ZINC001437338614 962811774 /nfs/dbraw/zinc/81/17/74/962811774.db2.gz XNZPPPDANKTNMH-UHFFFAOYSA-N -1 3 298.310 1.087 10 0 CDAEHM C[C@H](C(=O)N[C@@H](C)c1nn(C)cc1[O-])N1CCCCCC1 ZINC001420440182 962910987 /nfs/dbraw/zinc/91/09/87/962910987.db2.gz NWPDJYJRPFQECO-NWDGAFQWSA-N -1 3 294.399 1.567 10 0 CDAEHM COc1cc(C(=O)[N-]c2ncncc2C(C)C)on1 ZINC001439466653 963767721 /nfs/dbraw/zinc/76/77/21/963767721.db2.gz JEFBOBGMXSDFDP-UHFFFAOYSA-N -1 3 262.269 1.849 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CO)C2CC2)c1 ZINC001346722176 965225772 /nfs/dbraw/zinc/22/57/72/965225772.db2.gz NXFABINGFLVNDN-LBPRGKRZSA-N -1 3 290.319 1.017 10 0 CDAEHM Cc1cncn1CC(=O)Nc1nc(Cl)ccc1[O-] ZINC001558967237 965380643 /nfs/dbraw/zinc/38/06/43/965380643.db2.gz WEIMYFITEWOLLB-UHFFFAOYSA-N -1 3 266.688 1.584 10 0 CDAEHM Cc1cocc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001443448526 965469086 /nfs/dbraw/zinc/46/90/86/965469086.db2.gz KBRURRAATTYFCM-UHFFFAOYSA-N -1 3 283.291 1.698 10 0 CDAEHM Cc1cocc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001443448526 965469090 /nfs/dbraw/zinc/46/90/90/965469090.db2.gz KBRURRAATTYFCM-UHFFFAOYSA-N -1 3 283.291 1.698 10 0 CDAEHM CCCCCCC(=O)NCCc1c(C)[n-][nH]c1=O ZINC001443448544 965469126 /nfs/dbraw/zinc/46/91/26/965469126.db2.gz JNBMGUVKUNCHID-NSHDSACASA-N -1 3 253.346 1.585 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001443448731 965469640 /nfs/dbraw/zinc/46/96/40/965469640.db2.gz XATGZDGCFFMPRM-QNWHQSFQSA-N -1 3 277.368 1.441 10 0 CDAEHM O=C(/C=C\Cn1cncn1)Nc1cccc([O-])c1F ZINC001446242789 966493933 /nfs/dbraw/zinc/49/39/33/966493933.db2.gz UAIXTEZJVBPVLT-DJWKRKHSSA-N -1 3 262.244 1.318 10 0 CDAEHM CC(=O)c1cccc(NC(=O)c2cc3ncccn3n2)c1[O-] ZINC001450604334 967755166 /nfs/dbraw/zinc/75/51/66/967755166.db2.gz GIEWWGASLNJJEL-UHFFFAOYSA-N -1 3 296.286 1.890 10 0 CDAEHM CCN1C[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)C(C)(C)C1 ZINC001472058911 968307001 /nfs/dbraw/zinc/30/70/01/968307001.db2.gz PZVMICKXJJIFGJ-CYBMUJFWSA-N -1 3 290.363 1.421 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)OC)c1 ZINC001527885299 968752385 /nfs/dbraw/zinc/75/23/85/968752385.db2.gz VPUWCTYCWQGQPK-UHFFFAOYSA-N -1 3 292.335 1.672 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC/C=C\Cl)c1 ZINC001456884548 969070156 /nfs/dbraw/zinc/07/01/56/969070156.db2.gz KGCYHNMUSZWOOM-UTCJRWHESA-N -1 3 280.711 1.999 10 0 CDAEHM CSc1nc(NC(=O)C=C[C@H]2CCOC2)n[n-]1 ZINC001464603311 969799384 /nfs/dbraw/zinc/79/93/84/969799384.db2.gz KKTLENQLWUNAMB-XDVGHUOJSA-N -1 3 254.315 1.058 10 0 CDAEHM C/C(=C/C(C)(C)C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001464884780 969828642 /nfs/dbraw/zinc/82/86/42/969828642.db2.gz WHZPWHAMBBOGTN-TYBABMIJSA-N -1 3 265.357 1.607 10 0 CDAEHM COc1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)cc1C ZINC001464885488 969829755 /nfs/dbraw/zinc/82/97/55/969829755.db2.gz DNEDAVXVRYXDMA-GFCCVEGCSA-N -1 3 289.335 1.245 10 0 CDAEHM 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3 273.271 1.398 10 0 CDAEHM COc1cccc(C(=O)[N-]c2nncs2)c1F ZINC000090367670 360211730 /nfs/dbraw/zinc/21/17/30/360211730.db2.gz VEDQLYVUIJAHFO-UHFFFAOYSA-N -1 3 253.258 1.938 10 0 CDAEHM C[C@@H]1C[C@H](NC(=O)NCc2ncccc2[O-])CS1 ZINC000335495905 360266831 /nfs/dbraw/zinc/26/68/31/360266831.db2.gz PSEYFFUTYJQYEK-BDAKNGLRSA-N -1 3 267.354 1.480 10 0 CDAEHM CCc1cc(C(=O)N2CC[C@H](C(=O)NC)C2)ccc1[O-] ZINC000335511586 360290634 /nfs/dbraw/zinc/29/06/34/360290634.db2.gz OPDWBOJPSUKYAT-LBPRGKRZSA-N -1 3 276.336 1.163 10 0 CDAEHM CCC[C@@](C)([N-]S(=O)(=O)c1cscn1)C(=O)OC ZINC000515379097 360484647 /nfs/dbraw/zinc/48/46/47/360484647.db2.gz IOOWLPDGOWTMNT-SNVBAGLBSA-N -1 3 292.382 1.153 10 0 CDAEHM CC[C@H](C)C[C@H]([N-]S(=O)(=O)CC1CCC1)C(=O)OC ZINC000515379027 360484659 /nfs/dbraw/zinc/48/46/59/360484659.db2.gz DSAZAAOFITUTNL-JQWIXIFHSA-N -1 3 291.413 1.684 10 0 CDAEHM COc1cc(=NC(=O)N2CC3(CCC3)[C@@H]2C(C)C)[n-]n1C ZINC000515996432 360551702 /nfs/dbraw/zinc/55/17/02/360551702.db2.gz 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/nfs/dbraw/zinc/22/62/06/361226206.db2.gz AZWBRTOXQCWJIW-ZCFIWIBFSA-N -1 3 266.363 1.786 10 0 CDAEHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@H]1CC12CC2 ZINC000643334687 361360496 /nfs/dbraw/zinc/36/04/96/361360496.db2.gz OKANMMXOPOMFBW-LLVKDONJSA-N -1 3 269.308 1.283 10 0 CDAEHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC12CC2 ZINC000643334687 361360498 /nfs/dbraw/zinc/36/04/98/361360498.db2.gz OKANMMXOPOMFBW-LLVKDONJSA-N -1 3 269.308 1.283 10 0 CDAEHM O=C(c1ccc2n[n-]nc2c1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000629085041 361491194 /nfs/dbraw/zinc/49/11/94/361491194.db2.gz IAVDBOXBQVREJG-XHDPSFHLSA-N -1 3 286.335 1.193 10 0 CDAEHM COc1cccc(C(=O)NC[C@@H](O)C(C)C)c1[O-] ZINC000134220034 361537999 /nfs/dbraw/zinc/53/79/99/361537999.db2.gz WKRHZYSPSQCARF-SNVBAGLBSA-N -1 3 253.298 1.148 10 0 CDAEHM Cc1cc(C)c(CNC(=O)c2ccc(O)cc2[O-])c(=O)[nH]1 ZINC000436716545 361564249 /nfs/dbraw/zinc/56/42/49/361564249.db2.gz QOWOCFFPPDTHHE-UHFFFAOYSA-N -1 3 288.303 1.745 10 0 CDAEHM O=C(NCc1noc(C2CC2)n1)c1ccc(O)cc1[O-] ZINC000436625773 361544458 /nfs/dbraw/zinc/54/44/58/361544458.db2.gz PMSIXPLPICMODX-UHFFFAOYSA-N -1 3 275.264 1.288 10 0 CDAEHM Cc1cccc(C(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)c1[O-] ZINC000436646593 361548844 /nfs/dbraw/zinc/54/88/44/361548844.db2.gz IMAAJVSMCUEJDP-JTQLQIEISA-N -1 3 297.376 1.396 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)c1 ZINC000436645874 361549252 /nfs/dbraw/zinc/54/92/52/361549252.db2.gz FBAWCAWFPXZTIV-SNVBAGLBSA-N -1 3 297.376 1.396 10 0 CDAEHM O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1c[n-]nc1-c1ccccn1 ZINC000629125460 361605979 /nfs/dbraw/zinc/60/59/79/361605979.db2.gz QWMGFUPPZOWKLK-SMDDNHRTSA-N -1 3 298.346 1.769 10 0 CDAEHM Cn1c2cc([O-])c(NC(=O)[C@H]3CC34CC4)cc2n(C)c1=O ZINC000643352544 361697509 /nfs/dbraw/zinc/69/75/09/361697509.db2.gz KYSVCUFMJOVMDA-MRVPVSSYSA-N -1 3 287.319 1.321 10 0 CDAEHM CC(C)[C@H]1C[C@H]1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000360838228 363807670 /nfs/dbraw/zinc/80/76/70/363807670.db2.gz BIDABZMSUSEWKP-RNFRBKRXSA-N -1 3 276.262 1.732 10 0 CDAEHM CC(C)[C@H]1C[C@H]1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000360838228 363807675 /nfs/dbraw/zinc/80/76/75/363807675.db2.gz BIDABZMSUSEWKP-RNFRBKRXSA-N -1 3 276.262 1.732 10 0 CDAEHM CC(C)[C@H]1C[C@H]1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000360838228 363807679 /nfs/dbraw/zinc/80/76/79/363807679.db2.gz BIDABZMSUSEWKP-RNFRBKRXSA-N -1 3 276.262 1.732 10 0 CDAEHM C/C=C\C[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)[N-]C2=O)C1 ZINC000629878914 363980577 /nfs/dbraw/zinc/98/05/77/363980577.db2.gz MNGZHEFNZBCJKU-JDEDCZITSA-N -1 3 293.367 1.179 10 0 CDAEHM COC(=O)Cc1cnc(OC(F)(F)F)c([O-])c1 ZINC000575374863 364097728 /nfs/dbraw/zinc/09/77/28/364097728.db2.gz BSOXFVZVMUUJGE-UHFFFAOYSA-N -1 3 251.160 1.401 10 0 CDAEHM O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1cc(F)c[n-]c1=O ZINC000630025839 364438224 /nfs/dbraw/zinc/43/82/24/364438224.db2.gz PVTHGXDDRCEUHD-MWLCHTKSSA-N -1 3 266.272 1.224 10 0 CDAEHM CN(C)c1ccc(CNC(=O)c2cccc([O-])c2)cn1 ZINC000357208744 366832594 /nfs/dbraw/zinc/83/25/94/366832594.db2.gz 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/nfs/dbraw/zinc/70/09/60/364700960.db2.gz UXUNAYJJNXQOHO-NSHDSACASA-N -1 3 261.281 1.457 10 0 CDAEHM C[C@@H](O)C1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000163654843 364752137 /nfs/dbraw/zinc/75/21/37/364752137.db2.gz YTXPTVNIDXTDDZ-SNVBAGLBSA-N -1 3 296.342 1.834 10 0 CDAEHM CC(C)[C@H](C)CNC(=O)NCc1ncccc1[O-] ZINC000471894018 365013729 /nfs/dbraw/zinc/01/37/29/365013729.db2.gz WFBCAJOIZMRQLG-SNVBAGLBSA-N -1 3 251.330 1.879 10 0 CDAEHM Cc1cccc(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCO2)c1F ZINC000181208172 365023847 /nfs/dbraw/zinc/02/38/47/365023847.db2.gz DNFXEUSQWQYMTD-MNOVXSKESA-N -1 3 287.356 1.980 10 0 CDAEHM CCn1nnc(C)c1CNC(=O)c1ccc(C)cc1[O-] ZINC000627870591 365351616 /nfs/dbraw/zinc/35/16/16/365351616.db2.gz FBBUDTUATGHPRO-UHFFFAOYSA-N -1 3 274.324 1.550 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@H]2C[C@@H](C)N(C3CC3)C2)sc1C ZINC000357542577 367054046 /nfs/dbraw/zinc/05/40/46/367054046.db2.gz WDGGHOSRHOVKSB-SCZZXKLOSA-N -1 3 295.408 1.697 10 0 CDAEHM C[C@H]1OCC[C@@]12CN(C(=O)c1cccc([O-])c1)CCO2 ZINC000280219355 367312611 /nfs/dbraw/zinc/31/26/11/367312611.db2.gz WYQCXNPRWMDEHZ-IAQYHMDHSA-N -1 3 277.320 1.412 10 0 CDAEHM C[C@H](CO)CCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000230274153 367515524 /nfs/dbraw/zinc/51/55/24/367515524.db2.gz GPQTUBLVCQUSMD-NSHDSACASA-N -1 3 288.347 1.667 10 0 CDAEHM C[C@@H]1CCCN(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)C1 ZINC000375647589 370887049 /nfs/dbraw/zinc/88/70/49/370887049.db2.gz QVPUFFREDOGZEC-LLVKDONJSA-N -1 3 298.412 1.608 10 0 CDAEHM CC[C@@H]1C(=O)NCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000264417789 370874301 /nfs/dbraw/zinc/87/43/01/370874301.db2.gz JKXDOWABDKKGDW-CYBMUJFWSA-N -1 3 299.330 1.291 10 0 CDAEHM C[C@@](O)(C[N-]S(=O)(=O)c1ccccn1)C1CCCCC1 ZINC000360124910 368128949 /nfs/dbraw/zinc/12/89/49/368128949.db2.gz VJZCCGAFGQISDJ-CQSZACIVSA-N -1 3 298.408 1.691 10 0 CDAEHM COCCN1CCC[C@H]1CNC(=O)c1ccc(F)cc1[O-] ZINC000123665560 368198599 /nfs/dbraw/zinc/19/85/99/368198599.db2.gz CNTFETSDQQNWAY-LBPRGKRZSA-N -1 3 296.342 1.372 10 0 CDAEHM COC[C@H](C)[C@H](C)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000360443831 368293973 /nfs/dbraw/zinc/29/39/73/368293973.db2.gz GLRWYVMNGSGPKK-JBLDHEPKSA-N -1 3 281.356 1.540 10 0 CDAEHM CS(=O)(=O)C1(CNC(=O)c2cccc([O-])c2)CCCC1 ZINC000286609214 368905556 /nfs/dbraw/zinc/90/55/56/368905556.db2.gz YESOCWYMZPCNBR-UHFFFAOYSA-N -1 3 297.376 1.479 10 0 CDAEHM CO[C@@](C)(CNC(=O)NCc1ncccc1[O-])C1CC1 ZINC000361631946 368949576 /nfs/dbraw/zinc/94/95/76/368949576.db2.gz OBTQMINLTFUARO-AWEZNQCLSA-N -1 3 279.340 1.402 10 0 CDAEHM C[C@@H]1CCCN(S(=O)(=O)[N-]c2cnn(C(F)F)c2)C1 ZINC000361776822 369037684 /nfs/dbraw/zinc/03/76/84/369037684.db2.gz PLGVBCXUKQGDGD-MRVPVSSYSA-N -1 3 294.327 1.667 10 0 CDAEHM CCc1ccc(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)s1 ZINC000287350144 369172875 /nfs/dbraw/zinc/17/28/75/369172875.db2.gz HMDWNNPUXIADPC-QMMMGPOBSA-N -1 3 295.357 1.100 10 0 CDAEHM CCN[C@H](C)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000630572007 369267262 /nfs/dbraw/zinc/26/72/62/369267262.db2.gz 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/nfs/dbraw/zinc/77/54/66/369775466.db2.gz COYXNVHOHIVQLC-UHFFFAOYSA-N -1 3 253.283 1.838 10 0 CDAEHM Cc1cccc(C(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)c1[O-] ZINC000137934588 369945446 /nfs/dbraw/zinc/94/54/46/369945446.db2.gz LOOKOHHQNMUWBW-WCQYABFASA-N -1 3 290.363 1.865 10 0 CDAEHM CCc1cc(=O)[n-]c(CN(C)[C@@]2(CO)CC[C@@H](C)C2)n1 ZINC000249588741 370173717 /nfs/dbraw/zinc/17/37/17/370173717.db2.gz USTMBSUDJZGUOC-ABAIWWIYSA-N -1 3 279.384 1.728 10 0 CDAEHM CC(C)[C@@](C)(CO)NC(=O)c1cccc2nn[n-]c21 ZINC000565810822 370538089 /nfs/dbraw/zinc/53/80/89/370538089.db2.gz MPAHQEOMZSPLGW-CYBMUJFWSA-N -1 3 262.313 1.095 10 0 CDAEHM CC(C)[C@@](C)(CO)NC(=O)c1cccc2[n-]nnc21 ZINC000565810822 370538094 /nfs/dbraw/zinc/53/80/94/370538094.db2.gz MPAHQEOMZSPLGW-CYBMUJFWSA-N -1 3 262.313 1.095 10 0 CDAEHM CC(C)[C@@](C)(CO)NC(=O)c1cccc2n[n-]nc21 ZINC000565810822 370538098 /nfs/dbraw/zinc/53/80/98/370538098.db2.gz MPAHQEOMZSPLGW-CYBMUJFWSA-N -1 3 262.313 1.095 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-]C(C)(C)C 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293.348 1.764 10 0 CDAEHM COCC(C)(C)C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649230483 393124747 /nfs/dbraw/zinc/12/47/47/393124747.db2.gz LYBSUWHUWGGEJN-UHFFFAOYSA-N -1 3 253.346 1.875 10 0 CDAEHM CS(=O)(=O)[N-]c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000523872177 393327202 /nfs/dbraw/zinc/32/72/02/393327202.db2.gz DJWBTCFSLCJPIF-UHFFFAOYSA-N -1 3 278.337 1.721 10 0 CDAEHM O=C(Nc1ncccc1[O-])[C@@H]1CCc2nnc(C3CC3)n2C1 ZINC000645974026 393441651 /nfs/dbraw/zinc/44/16/51/393441651.db2.gz TXXXVXVULRISCG-SNVBAGLBSA-N -1 3 299.334 1.457 10 0 CDAEHM C[C@H]1CCc2ccccc2N1C(=O)[C@H](N)CC(=O)[O-] ZINC000085810850 135038233 /nfs/dbraw/zinc/03/82/33/135038233.db2.gz UIQQSBTZTBAJOF-GXSJLCMTSA-N -1 3 262.309 1.156 10 0 CDAEHM NC(=O)CN(Cc1ccccc1)C(=O)c1cccc([O-])c1 ZINC000182432242 140019684 /nfs/dbraw/zinc/01/96/84/140019684.db2.gz DPSIUMSSIVVAKG-UHFFFAOYSA-N -1 3 284.315 1.520 10 0 CDAEHM O=C(Nc1cc(F)ccc1[O-])c1n[nH]c2c1CNCC2 ZINC000188936103 140104755 /nfs/dbraw/zinc/10/47/55/140104755.db2.gz CKYSAZMYLZQQJZ-UHFFFAOYSA-N -1 3 276.271 1.152 10 0 CDAEHM C([N-]c1nc(C2CCC2)no1)c1nc([C@H]2CCCO2)n[nH]1 ZINC000656208750 413106692 /nfs/dbraw/zinc/10/66/92/413106692.db2.gz YKYUAXBSLFHWLA-SECBINFHSA-N -1 3 290.327 1.919 10 0 CDAEHM C([N-]c1nc(C2CCC2)no1)c1n[nH]c([C@H]2CCCO2)n1 ZINC000656208750 413106697 /nfs/dbraw/zinc/10/66/97/413106697.db2.gz YKYUAXBSLFHWLA-SECBINFHSA-N -1 3 290.327 1.919 10 0 CDAEHM CC(C)[C@@H](CNC(=O)c1cccc([O-])c1)N1CCOCC1 ZINC000181830351 148226816 /nfs/dbraw/zinc/22/68/16/148226816.db2.gz ZBEVDPJCRAZMLP-OAHLLOKOSA-N -1 3 292.379 1.479 10 0 CDAEHM CCCN(C(=O)c1cccc([O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000181842221 148227589 /nfs/dbraw/zinc/22/75/89/148227589.db2.gz UGMQHGRNOGBWRP-LBPRGKRZSA-N -1 3 297.376 1.432 10 0 CDAEHM O=C(NCc1ccc(-n2cncn2)cc1)c1cccc([O-])c1 ZINC000182062011 148238649 /nfs/dbraw/zinc/23/86/49/148238649.db2.gz QMHRRLWANGSMIC-UHFFFAOYSA-N -1 3 294.314 1.903 10 0 CDAEHM COC(=O)c1coc(C(=O)Nc2ncccc2[O-])c1 ZINC000184437609 148352029 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CSc1nc(NC(=O)[C@H]2CCC[C@H](F)C2)n[n-]1 ZINC000335197453 150396710 /nfs/dbraw/zinc/39/67/10/150396710.db2.gz MHEWSFQEUUWVOF-BQBZGAKWSA-N -1 3 258.322 1.993 10 0 CDAEHM C[C@@H]1CC[C@@H]1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000335888324 151084037 /nfs/dbraw/zinc/08/40/37/151084037.db2.gz CEWMZUONABSFEV-HQJQHLMTSA-N -1 3 273.292 1.490 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC(F)C1 ZINC000336157599 151320271 /nfs/dbraw/zinc/32/02/71/151320271.db2.gz NWJUNDMTYHPVHB-GFCCVEGCSA-N -1 3 292.310 1.177 10 0 CDAEHM CC(C)n1cc(C(=O)Nc2cc(F)ccc2[O-])nn1 ZINC000343883309 152339985 /nfs/dbraw/zinc/33/99/85/152339985.db2.gz AOJOXYUYOIKYNJ-UHFFFAOYSA-N -1 3 264.260 1.956 10 0 CDAEHM COc1ncc(C)cc1NC(=O)NCc1ncccc1[O-] ZINC000344042637 152399748 /nfs/dbraw/zinc/39/97/48/152399748.db2.gz IFVPOVVDSIQCEV-UHFFFAOYSA-N -1 3 288.307 1.821 10 0 CDAEHM CCCn1c(=O)[n-]nc1SCc1nc(COC)no1 ZINC000346068720 153042203 /nfs/dbraw/zinc/04/22/03/153042203.db2.gz GVCHUETUQLTWDO-UHFFFAOYSA-N -1 3 285.329 1.215 10 0 CDAEHM CC(C)Oc1ccc(=NC(=O)NCCN(C)C(C)C)[n-]n1 ZINC000346592265 153238282 /nfs/dbraw/zinc/23/82/82/153238282.db2.gz SZDLNLKOAHVIDK-UHFFFAOYSA-N -1 3 295.387 1.147 10 0 CDAEHM O=C(NCc1ccccc1F)NCc1ncccc1[O-] ZINC000349105900 154052380 /nfs/dbraw/zinc/05/23/80/154052380.db2.gz WGIXSXVGJSGOFA-UHFFFAOYSA-N -1 3 275.283 1.926 10 0 CDAEHM O=C(NCC[C@H]1CCCO1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654443372 413289229 /nfs/dbraw/zinc/28/92/29/413289229.db2.gz QCOZYCHJCIEITA-SNVBAGLBSA-N -1 3 277.324 1.359 10 0 CDAEHM CCc1cnc(CNC(=O)NCc2ncccc2[O-])s1 ZINC000349455417 154119317 /nfs/dbraw/zinc/11/93/17/154119317.db2.gz FYJVEAWQTJXLDN-UHFFFAOYSA-N -1 3 292.364 1.806 10 0 CDAEHM C[C@H]([N-]S(C)(=O)=O)c1nc(CCC(C)(C)C)no1 ZINC000349776196 154212715 /nfs/dbraw/zinc/21/27/15/154212715.db2.gz DZZRNACHQSJEKM-QMMMGPOBSA-N -1 3 275.374 1.659 10 0 CDAEHM CCC[C@@]1([N-]S(=O)(=O)c2ccccn2)CCOC1 ZINC000352337986 155103118 /nfs/dbraw/zinc/10/31/18/155103118.db2.gz NDOHKSRWMGQBKI-GFCCVEGCSA-N -1 3 270.354 1.319 10 0 CDAEHM O=c1cc(CN2C[C@@H](O)C3(CC3)C2)c2ccc([O-])cc2o1 ZINC000375320231 160367264 /nfs/dbraw/zinc/36/72/64/160367264.db2.gz PQNSXBHUCASILI-CQSZACIVSA-N -1 3 287.315 1.455 10 0 CDAEHM CO[C@@H](C)c1nc(C)c(C(=O)[N-]c2nc(C)n(C)n2)s1 ZINC000355803964 157244408 /nfs/dbraw/zinc/24/44/08/157244408.db2.gz WSSBPLFSUFPHNY-ZETCQYMHSA-N -1 3 295.368 1.848 10 0 CDAEHM O=C(Nc1ccc([O-])cc1F)C1CN(CC(F)(F)F)C1 ZINC000355913724 157282608 /nfs/dbraw/zinc/28/26/08/157282608.db2.gz FNVXUMAUTACJSL-UHFFFAOYSA-N -1 3 292.232 1.964 10 0 CDAEHM CCc1ncc(S(=O)(=O)[N-][C@H](C)[C@H](C)CO)s1 ZINC000359208991 158163362 /nfs/dbraw/zinc/16/33/62/158163362.db2.gz DPADWLXZOPCTNU-HTQZYQBOSA-N -1 3 278.399 1.001 10 0 CDAEHM C[C@@H](c1ccccc1)[C@@H](NC(=O)c1cccc([O-])c1)C(N)=O ZINC000359240004 158178069 /nfs/dbraw/zinc/17/80/69/158178069.db2.gz BMRYFVDPCQXWPJ-XHDPSFHLSA-N -1 3 298.342 1.780 10 0 CDAEHM Cc1ccc2[n-]cc(C(=O)N3CCNC(=O)CC3)c(=O)c2c1 ZINC000286138092 292394891 /nfs/dbraw/zinc/39/48/91/292394891.db2.gz 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CC(=O)c1ccc(C(=O)N2CC[C@]23CCOC3)cc1[O-] ZINC000422125107 277108797 /nfs/dbraw/zinc/10/87/97/277108797.db2.gz AYMZUMUTSCUBHW-OAHLLOKOSA-N -1 3 275.304 1.600 10 0 CDAEHM CC(C)C[C@@H](C)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000274211507 277432255 /nfs/dbraw/zinc/43/22/55/277432255.db2.gz IGMZDFHAPSIMNJ-SNVBAGLBSA-N -1 3 263.341 1.749 10 0 CDAEHM COc1nnc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)[n-]1 ZINC000272385554 278085683 /nfs/dbraw/zinc/08/56/83/278085683.db2.gz CGEWPTQIKOCMBE-IAQYHMDHSA-N -1 3 284.319 1.656 10 0 CDAEHM COc1nc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)n[n-]1 ZINC000272385554 278085687 /nfs/dbraw/zinc/08/56/87/278085687.db2.gz CGEWPTQIKOCMBE-IAQYHMDHSA-N -1 3 284.319 1.656 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)n1 ZINC000272385554 278085688 /nfs/dbraw/zinc/08/56/88/278085688.db2.gz CGEWPTQIKOCMBE-IAQYHMDHSA-N -1 3 284.319 1.656 10 0 CDAEHM Cn1c(NC(=O)c2nnc[n-]2)nc2cc(Cl)ccc21 ZINC000358433786 279311993 /nfs/dbraw/zinc/31/19/93/279311993.db2.gz NCFOZNXVHKOFDK-UHFFFAOYSA-N -1 3 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264.373 1.903 10 0 CDAEHM CC1(C)CN(C(=O)c2cc([O-])ccc2F)CC[C@H]1O ZINC000296110143 281219724 /nfs/dbraw/zinc/21/97/24/281219724.db2.gz XTTHMLFSUJNLDZ-GFCCVEGCSA-N -1 3 267.300 1.764 10 0 CDAEHM CCn1ncc(C[N-]S(=O)(=O)c2cc(C)ccc2F)n1 ZINC000528445709 281231371 /nfs/dbraw/zinc/23/13/71/281231371.db2.gz OMHSPQYPYIDEJP-UHFFFAOYSA-N -1 3 298.343 1.224 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)o1 ZINC000528546641 281258398 /nfs/dbraw/zinc/25/83/98/281258398.db2.gz HCYHGFWJKQVFQA-WDCWCFNPSA-N -1 3 273.354 1.678 10 0 CDAEHM CCN=c1[n-]c(C(=O)N[C@@]23C[C@@H]2COC3(C)C)cs1 ZINC000529794743 281365772 /nfs/dbraw/zinc/36/57/72/281365772.db2.gz XPSKFTFSMNKPCS-OQPBUACISA-N -1 3 281.381 1.294 10 0 CDAEHM CCO[C@@]1(C)C[C@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000529856461 281375988 /nfs/dbraw/zinc/37/59/88/281375988.db2.gz OTWCIOLPXSQONU-YGRLFVJLSA-N -1 3 277.324 1.357 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCC[C@H]3COCC[C@H]32)n1 ZINC000533024585 282077185 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ZINC000568106932 293953275 /nfs/dbraw/zinc/95/32/75/293953275.db2.gz YCUQTTFBJYTUPV-VHSXEESVSA-N -1 3 259.309 1.588 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CC(C)(C)C2CC2)nc1=N ZINC000571053282 294360574 /nfs/dbraw/zinc/36/05/74/294360574.db2.gz HKKASTCYZXKDCQ-LLVKDONJSA-N -1 3 291.399 1.717 10 0 CDAEHM CC[C@@H]1C[C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)CCO1 ZINC000571461171 294441499 /nfs/dbraw/zinc/44/14/99/294441499.db2.gz PAYZCBUMILMUHA-WDEREUQCSA-N -1 3 291.351 1.747 10 0 CDAEHM C[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000566349259 316559353 /nfs/dbraw/zinc/55/93/53/316559353.db2.gz QAXGNNSMUTWKJW-GRYCIOLGSA-N -1 3 291.399 1.717 10 0 CDAEHM CC[C@H](C)[C@@H](CNC(=O)N=c1cc(OC)n(C)[n-]1)OC ZINC000575995870 317055601 /nfs/dbraw/zinc/05/56/01/317055601.db2.gz CBLTVFXOYIOQNS-VHSXEESVSA-N -1 3 284.360 1.033 10 0 CDAEHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cscn2)C(C)(C)O1 ZINC000576939915 317234293 /nfs/dbraw/zinc/23/42/93/317234293.db2.gz REVAKAUBCGOXEO-QMMMGPOBSA-N -1 3 290.410 1.768 10 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UDTNBAWMIWFXGS-JTQLQIEISA-N -1 3 267.329 1.801 10 0 CDAEHM Cc1cnc(C(=O)Nc2cnn(CCN(C)C)c2)c([O-])c1 ZINC000680843641 482583820 /nfs/dbraw/zinc/58/38/20/482583820.db2.gz COJXOYOZQSCLIO-UHFFFAOYSA-N -1 3 289.339 1.106 10 0 CDAEHM C[C@@H]1CCCN1S(=O)(=O)Nc1c([O-])cccc1F ZINC000681131408 482714584 /nfs/dbraw/zinc/71/45/84/482714584.db2.gz ZYPLCWYWZYIJTD-MRVPVSSYSA-N -1 3 274.317 1.672 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCCSC2)n[n-]1 ZINC000685791012 482843072 /nfs/dbraw/zinc/84/30/72/482843072.db2.gz LDIICASQUZXPKY-SECBINFHSA-N -1 3 291.380 1.892 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCCSC2)[n-]n1 ZINC000685791012 482843076 /nfs/dbraw/zinc/84/30/76/482843076.db2.gz LDIICASQUZXPKY-SECBINFHSA-N -1 3 291.380 1.892 10 0 CDAEHM O=C(c1ccc2n[n-]nc2c1)N1CC2(C1)CC(F)(F)C2 ZINC000677927746 482847483 /nfs/dbraw/zinc/84/74/83/482847483.db2.gz YJLZBHVLEOARMG-UHFFFAOYSA-N -1 3 278.262 1.829 10 0 CDAEHM C[C@@H]1C[C@H]1CNc1cc(=NC[C@H]2C[C@H]2C)nc2nc[n-]n21 ZINC000684570398 482886718 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483512055 /nfs/dbraw/zinc/51/20/55/483512055.db2.gz UZMZOYFUQGGCMI-UHFFFAOYSA-N -1 3 299.743 1.610 10 0 CDAEHM O=C(Nc1c([O-])cccc1F)[C@@H]1CCn2cncc2C1 ZINC000676720296 483576178 /nfs/dbraw/zinc/57/61/78/483576178.db2.gz MBIALBYXLMYQLS-SECBINFHSA-N -1 3 275.283 1.929 10 0 CDAEHM CNC(C)(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000061318786 521940962 /nfs/dbraw/zinc/94/09/62/521940962.db2.gz SFXMERKELKVSHD-UHFFFAOYSA-N -1 3 270.716 1.975 10 0 CDAEHM Cc1ccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c([O-])c1 ZINC000252851365 518188337 /nfs/dbraw/zinc/18/83/37/518188337.db2.gz FQMVMCWFQCSJHM-WCFLWFBJSA-N -1 3 261.321 1.544 10 0 CDAEHM CC(=O)c1cc(Cl)cc(CS(C)(=O)=O)c1[O-] ZINC000054929943 518281382 /nfs/dbraw/zinc/28/13/82/518281382.db2.gz MDDWMRRVYDDXJY-UHFFFAOYSA-N -1 3 262.714 1.793 10 0 CDAEHM CC(C)NC(=O)[C@H](C)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925470 519715331 /nfs/dbraw/zinc/71/53/31/519715331.db2.gz QTEXCZXMQHSTNH-NWDGAFQWSA-N -1 3 270.373 1.619 10 0 CDAEHM CC(C)CN1CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC000055079896 519726950 /nfs/dbraw/zinc/72/69/50/519726950.db2.gz DXSXFLDZHQJUKC-UHFFFAOYSA-N -1 3 266.341 1.751 10 0 CDAEHM CC(C)[C@@H](CN(C)C)NC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000049230492 519793306 /nfs/dbraw/zinc/79/33/06/519793306.db2.gz JCVORNHAPBVQMA-NEPJUHHUSA-N -1 3 285.388 1.221 10 0 CDAEHM CCN(C(=O)NC[C@@H](C)N1CCCCC1)C(C)(C)C(=O)[O-] ZINC000061176914 519964806 /nfs/dbraw/zinc/96/48/06/519964806.db2.gz DLVWFINOCDYVRY-GFCCVEGCSA-N -1 3 299.415 1.756 10 0 CDAEHM CCN(CC(=O)N1CCC(C)CC1)[C@@H](C)CC(=O)[O-] ZINC000061182361 520306555 /nfs/dbraw/zinc/30/65/55/520306555.db2.gz QMVLJOYYHRVZQB-LBPRGKRZSA-N -1 3 270.373 1.430 10 0 CDAEHM CCN(CC(=O)N1CCCCC1)[C@H](C)CC(=O)[O-] ZINC000061183293 520309378 /nfs/dbraw/zinc/30/93/78/520309378.db2.gz YNEMGVQGMPJEPU-LLVKDONJSA-N -1 3 256.346 1.184 10 0 CDAEHM CCOc1ccc(CN[C@]2(C(=O)[O-])CCOC2)cc1OC ZINC000340687460 521010721 /nfs/dbraw/zinc/01/07/21/521010721.db2.gz ZWGATCGSYKYARC-OAHLLOKOSA-N -1 3 295.335 1.427 10 0 CDAEHM CC1CCN(CCNC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)CC1 ZINC000068688662 521014831 /nfs/dbraw/zinc/01/48/31/521014831.db2.gz YRAFOPJIXPWPOC-RYUDHWBXSA-N -1 3 282.384 1.191 10 0 CDAEHM CCN(C[C@H](C)C(=O)[O-])C(=O)NCCN1CCCCC1 ZINC000061225801 521240848 /nfs/dbraw/zinc/24/08/48/521240848.db2.gz NMYVYZMNNQIHRY-LBPRGKRZSA-N -1 3 285.388 1.225 10 0 CDAEHM CCN(Cc1cn2cccnc2n1)[C@@H](C)CC(=O)[O-] ZINC000061182647 521433105 /nfs/dbraw/zinc/43/31/05/521433105.db2.gz AZQDJROFJFPYGN-JTQLQIEISA-N -1 3 262.313 1.414 10 0 CDAEHM CCCn1cc(S(=O)(=O)[N-][C@H](CC)C(C)C)c(N)n1 ZINC000049127444 521655228 /nfs/dbraw/zinc/65/52/28/521655228.db2.gz JXVQTSIKLRNGHL-SNVBAGLBSA-N -1 3 288.417 1.588 10 0 CDAEHM CN(C)C[C@@H]1CCCN1C(=O)CC1(C(=O)[O-])CCCC1 ZINC000061643243 521828066 /nfs/dbraw/zinc/82/80/66/521828066.db2.gz UNPOGPYSERVGSK-LBPRGKRZSA-N -1 3 282.384 1.574 10 0 CDAEHM CC[C@@H](C)NC(=O)[C@H](C)N1CCC(CC)(C(=O)[O-])CC1 ZINC000062846390 522201883 /nfs/dbraw/zinc/20/18/83/522201883.db2.gz ABUGOJVBXXOWGL-NEPJUHHUSA-N 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/nfs/dbraw/zinc/21/60/57/351216057.db2.gz YPTYJTNVHJKVIM-UHFFFAOYSA-N -1 3 270.292 1.385 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1nc2cnccc2s1 ZINC000622570662 351216378 /nfs/dbraw/zinc/21/63/78/351216378.db2.gz MAEXDURCFVDGFM-UHFFFAOYSA-N -1 3 286.316 1.722 10 0 CDAEHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc(C)o1)OC ZINC000451678838 363066957 /nfs/dbraw/zinc/06/69/57/363066957.db2.gz ISYFHPBCCLOPAN-GXSJLCMTSA-N -1 3 275.370 1.927 10 0 CDAEHM COCCCON=C([O-])Nc1cn(C)nc1C1CC1 ZINC000292015607 198135385 /nfs/dbraw/zinc/13/53/85/198135385.db2.gz JBINBGIRLIVQKM-UHFFFAOYSA-N -1 3 268.317 1.387 10 0 CDAEHM COCCCO[N-]C(=O)Nc1cn(C)nc1C1CC1 ZINC000292015607 198135387 /nfs/dbraw/zinc/13/53/87/198135387.db2.gz JBINBGIRLIVQKM-UHFFFAOYSA-N -1 3 268.317 1.387 10 0 CDAEHM Cc1ccc([O-])c(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000157011018 188292685 /nfs/dbraw/zinc/29/26/85/188292685.db2.gz KVHCIGUDFUQVIQ-GFCCVEGCSA-N -1 3 296.392 1.247 10 0 CDAEHM COc1nnc(NC(=O)COc2c(C)cccc2C)[n-]1 ZINC000158176876 188361342 /nfs/dbraw/zinc/36/13/42/188361342.db2.gz MEFCRUMCYAHCMK-UHFFFAOYSA-N -1 3 276.296 1.448 10 0 CDAEHM COc1nc(NC(=O)COc2c(C)cccc2C)n[n-]1 ZINC000158176876 188361343 /nfs/dbraw/zinc/36/13/43/188361343.db2.gz MEFCRUMCYAHCMK-UHFFFAOYSA-N -1 3 276.296 1.448 10 0 CDAEHM COc1n[n-]c(NC(=O)COc2c(C)cccc2C)n1 ZINC000158176876 188361344 /nfs/dbraw/zinc/36/13/44/188361344.db2.gz MEFCRUMCYAHCMK-UHFFFAOYSA-N -1 3 276.296 1.448 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)[n-]1 ZINC000158198857 188363633 /nfs/dbraw/zinc/36/36/33/188363633.db2.gz YWLMRTANDUIMRC-SSDOTTSWSA-N -1 3 296.714 1.873 10 0 CDAEHM COc1nc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)n[n-]1 ZINC000158198857 188363634 /nfs/dbraw/zinc/36/36/34/188363634.db2.gz YWLMRTANDUIMRC-SSDOTTSWSA-N -1 3 296.714 1.873 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)n1 ZINC000158198857 188363636 /nfs/dbraw/zinc/36/36/36/188363636.db2.gz YWLMRTANDUIMRC-SSDOTTSWSA-N -1 3 296.714 1.873 10 0 CDAEHM CC(F)(F)CCC[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632377683 363273959 /nfs/dbraw/zinc/27/39/59/363273959.db2.gz KGFVQEDTVLUEJG-UHFFFAOYSA-N -1 3 286.325 1.562 10 0 CDAEHM Cc1nc(CS(=O)(=O)[N-][C@@H]2C[C@@H](C)O[C@@H]2C)cs1 ZINC000632648381 363288891 /nfs/dbraw/zinc/28/88/91/363288891.db2.gz PGHRWPOEMRYXNT-SOCHQFKDSA-N -1 3 290.410 1.437 10 0 CDAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3[C@@H]4CCC[C@@H]43)cn21 ZINC000570146131 363389000 /nfs/dbraw/zinc/38/90/00/363389000.db2.gz FECDJXSZYNUUSX-KZWBYHQPSA-N -1 3 295.408 1.857 10 0 CDAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000629768581 363422350 /nfs/dbraw/zinc/42/23/50/363422350.db2.gz ZTWXYVZEHKVZIN-HOCOFYGGSA-N -1 3 290.298 1.082 10 0 CDAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000629768581 363422354 /nfs/dbraw/zinc/42/23/54/363422354.db2.gz ZTWXYVZEHKVZIN-HOCOFYGGSA-N -1 3 290.298 1.082 10 0 CDAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000629768581 363422360 /nfs/dbraw/zinc/42/23/60/363422360.db2.gz ZTWXYVZEHKVZIN-HOCOFYGGSA-N -1 3 290.298 1.082 10 0 CDAEHM O=C(c1csc(=O)[n-]1)N1CCc2ncccc2C1 ZINC000684292122 482743930 /nfs/dbraw/zinc/74/39/30/482743930.db2.gz LZPFIWIIUKDTCK-UHFFFAOYSA-N -1 3 261.306 1.442 10 0 CDAEHM CCN1CCO[C@@H](CNC(=O)c2ccc(C)cc2[O-])C1 ZINC000134690386 356376942 /nfs/dbraw/zinc/37/69/42/356376942.db2.gz IJOFQXFVGRTNPY-LBPRGKRZSA-N -1 3 278.352 1.151 10 0 CDAEHM CCc1ccc(-n2c(=O)cc([O-])n(C)c2=S)cc1 ZINC000015015260 356404149 /nfs/dbraw/zinc/40/41/49/356404149.db2.gz WYIWSRFSZFKOMT-UHFFFAOYSA-N -1 3 262.334 1.729 10 0 CDAEHM CCc1ccc(-n2c([O-])cc(=O)n(C)c2=S)cc1 ZINC000015015260 356404153 /nfs/dbraw/zinc/40/41/53/356404153.db2.gz WYIWSRFSZFKOMT-UHFFFAOYSA-N -1 3 262.334 1.729 10 0 CDAEHM CC1(C)OCc2[n-]n(CCN3CCCCC3)c(=O)c21 ZINC000634592165 356480652 /nfs/dbraw/zinc/48/06/52/356480652.db2.gz AKCVZNTVYMCCBC-GFCCVEGCSA-N -1 3 265.357 1.096 10 0 CDAEHM O=C1C[C@]2(CCSC2)C(=O)[N-]N1c1ncc(F)cc1F ZINC000634608452 356565943 /nfs/dbraw/zinc/56/59/43/356565943.db2.gz CODDZGQCJNPYIX-LBPRGKRZSA-N -1 3 299.302 1.251 10 0 CDAEHM CCCC[C@@H](CN)N=c1[n-]c([C@@H](C)OC)ns1 ZINC000336683909 366341439 /nfs/dbraw/zinc/34/14/39/366341439.db2.gz CNPKMLICZSWRQA-BDAKNGLRSA-N -1 3 258.391 1.597 10 0 CDAEHM CCCC[C@@H](CN)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000336683909 366341445 /nfs/dbraw/zinc/34/14/45/366341445.db2.gz CNPKMLICZSWRQA-BDAKNGLRSA-N -1 3 258.391 1.597 10 0 CDAEHM O=C(Nc1ncccc1[O-])c1ccc(-n2cncn2)cc1 ZINC000058393398 357399995 /nfs/dbraw/zinc/39/99/95/357399995.db2.gz HUBAVCNQFRDVDY-UHFFFAOYSA-N -1 3 281.275 1.620 10 0 CDAEHM CCC(CC)(NC(=O)c1cccc([O-])c1)C(N)=O ZINC000182267421 357427340 /nfs/dbraw/zinc/42/73/40/357427340.db2.gz RGOGOGZNXRTEEW-UHFFFAOYSA-N -1 3 250.298 1.166 10 0 CDAEHM O=S(=O)([N-]C[C@H]1CCC[C@@H]1O)c1cc(F)cc(F)c1 ZINC000089166338 357488799 /nfs/dbraw/zinc/48/87/99/357488799.db2.gz BXKDUCYKHYQOII-PELKAZGASA-N -1 3 291.319 1.404 10 0 CDAEHM COCCC1CN(C(=O)c2cccc3[n-]nnc32)C1 ZINC000644768520 357575716 /nfs/dbraw/zinc/57/57/16/357575716.db2.gz OKFZPVUOPMWFBI-UHFFFAOYSA-N -1 3 260.297 1.066 10 0 CDAEHM COCCC1CN(C(=O)c2cccc3nn[n-]c32)C1 ZINC000644768520 357575718 /nfs/dbraw/zinc/57/57/18/357575718.db2.gz OKFZPVUOPMWFBI-UHFFFAOYSA-N -1 3 260.297 1.066 10 0 CDAEHM COCCC1CN(C(=O)c2cccc3n[n-]nc32)C1 ZINC000644768520 357575723 /nfs/dbraw/zinc/57/57/23/357575723.db2.gz OKFZPVUOPMWFBI-UHFFFAOYSA-N -1 3 260.297 1.066 10 0 CDAEHM Cc1cccc(-n2c(Cn3cccn3)n[n-]c2=O)c1 ZINC000065498536 357545181 /nfs/dbraw/zinc/54/51/81/357545181.db2.gz PCYJWIAAWSUUND-UHFFFAOYSA-N -1 3 255.281 1.114 10 0 CDAEHM O=S(=O)([N-][C@@H]1CCCC[C@@H]1CO)c1ccco1 ZINC000188773936 357936356 /nfs/dbraw/zinc/93/63/56/357936356.db2.gz IRRKVNKRCZLHOO-NXEZZACHSA-N -1 3 259.327 1.109 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2CCCc3c(O)cccc32)[n-]1 ZINC000190959831 358103017 /nfs/dbraw/zinc/10/30/17/358103017.db2.gz JMONBTPILAFXBD-SNVBAGLBSA-N -1 3 288.307 1.578 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2CCCc3c(O)cccc32)n[n-]1 ZINC000190959831 358103022 /nfs/dbraw/zinc/10/30/22/358103022.db2.gz JMONBTPILAFXBD-SNVBAGLBSA-N -1 3 288.307 1.578 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2CCCc3c(O)cccc32)n1 ZINC000190959831 358103027 /nfs/dbraw/zinc/10/30/27/358103027.db2.gz JMONBTPILAFXBD-SNVBAGLBSA-N -1 3 288.307 1.578 10 0 CDAEHM CO[C@@H](C[N-]S(=O)(=O)c1cscn1)CC(C)C ZINC000582119295 358244514 /nfs/dbraw/zinc/24/45/14/358244514.db2.gz PXCXVNDFWIULMP-SECBINFHSA-N -1 3 278.399 1.483 10 0 CDAEHM O=S1(=O)CC[C@@H](NCc2cccc([O-])c2Cl)C1 ZINC000293997968 358549037 /nfs/dbraw/zinc/54/90/37/358549037.db2.gz FVXHFXOJIPMXOD-SECBINFHSA-N -1 3 275.757 1.322 10 0 CDAEHM Cc1nc([N-]C(=O)c2csc(-c3ncccn3)n2)n[nH]1 ZINC000590833522 358530299 /nfs/dbraw/zinc/53/02/99/358530299.db2.gz QDPYIQHRHIPMHD-UHFFFAOYSA-N -1 3 287.308 1.279 10 0 CDAEHM CN1C[C@@H]2CCCN(C(=O)c3c([O-])cc(F)cc3F)[C@@H]2C1 ZINC000644826707 358749787 /nfs/dbraw/zinc/74/97/87/358749787.db2.gz FHFGMTQUPKZFFF-JOYOIKCWSA-N -1 3 296.317 1.837 10 0 CDAEHM O=C(NCC[C@H]1CCOC1)c1c[n-]c2ccccc2c1=O ZINC000345718125 358842128 /nfs/dbraw/zinc/84/21/28/358842128.db2.gz LEMYBDVYXHVUKL-NSHDSACASA-N -1 3 286.331 1.685 10 0 CDAEHM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccccc1[O-] ZINC000042439075 358944903 /nfs/dbraw/zinc/94/49/03/358944903.db2.gz WNEKWUDBEXNGTR-VHSXEESVSA-N -1 3 262.309 1.118 10 0 CDAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CCF)cn21 ZINC000335242662 359118095 /nfs/dbraw/zinc/11/80/95/359118095.db2.gz TZNHCRGUAFLQGH-MRVPVSSYSA-N -1 3 261.322 1.028 10 0 CDAEHM CC1CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000336505645 363662139 /nfs/dbraw/zinc/66/21/39/363662139.db2.gz QXADSWHUGIKSQK-UHFFFAOYSA-N -1 3 259.265 1.054 10 0 CDAEHM C[C@@H]1[C@@H](O)CCCN1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000297045230 200069790 /nfs/dbraw/zinc/06/97/90/200069790.db2.gz VEEJFOKNXHWQNB-HQJQHLMTSA-N -1 3 278.287 1.082 10 0 CDAEHM C[C@@H]1[C@@H](O)CCCN1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000297045230 200069792 /nfs/dbraw/zinc/06/97/92/200069792.db2.gz VEEJFOKNXHWQNB-HQJQHLMTSA-N -1 3 278.287 1.082 10 0 CDAEHM C[C@@H]1[C@@H](O)CCCN1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000297045230 200069793 /nfs/dbraw/zinc/06/97/93/200069793.db2.gz VEEJFOKNXHWQNB-HQJQHLMTSA-N -1 3 278.287 1.082 10 0 CDAEHM Cc1cnn(CC[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000117927731 359734918 /nfs/dbraw/zinc/73/49/18/359734918.db2.gz XVRJTUJGAYKULJ-UHFFFAOYSA-N -1 3 283.328 1.309 10 0 CDAEHM COc1cc(=NC(=O)Cc2ccccc2SC)[n-]n1C ZINC000548473416 359926777 /nfs/dbraw/zinc/92/67/77/359926777.db2.gz QKXOTVIYBXTYLN-UHFFFAOYSA-N -1 3 291.376 1.754 10 0 CDAEHM COc1cccc(C(=O)N[C@@H](C)C(OC)OC)c1[O-] ZINC000079611852 359989461 /nfs/dbraw/zinc/98/94/61/359989461.db2.gz KRWZCKIFPVRXSW-QMMMGPOBSA-N -1 3 269.297 1.138 10 0 CDAEHM Cc1ccc([O-])c(C[N@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])n1 ZINC000424423184 360051614 /nfs/dbraw/zinc/05/16/14/360051614.db2.gz UNHOQDYFKJBNRY-TVQRCGJNSA-N -1 3 264.325 1.781 10 0 CDAEHM Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])n1 ZINC000424423184 360051617 /nfs/dbraw/zinc/05/16/17/360051617.db2.gz UNHOQDYFKJBNRY-TVQRCGJNSA-N -1 3 264.325 1.781 10 0 CDAEHM O=S(=O)([N-][C@H]1CCC[C@@H](F)C1)c1cscn1 ZINC000335423265 360251938 /nfs/dbraw/zinc/25/19/38/360251938.db2.gz ZDYZNJWPTIUHFH-SFYZADRCSA-N -1 3 264.347 1.702 10 0 CDAEHM CC(C)(C)c1ccc(NC(=O)CSCC(N)=O)c([O-])c1 ZINC000337668659 360338406 /nfs/dbraw/zinc/33/84/06/360338406.db2.gz VZSUDCBUYPDOSO-UHFFFAOYSA-N -1 3 296.392 1.847 10 0 CDAEHM CCN([O-])S(=O)(=O)c1cccc(Br)c1 ZINC000306572596 360535752 /nfs/dbraw/zinc/53/57/52/360535752.db2.gz HPVVSNWUHZLNGN-UHFFFAOYSA-N -1 3 280.143 1.849 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](C)CC2CCCC2)[n-]1 ZINC000179373947 189190025 /nfs/dbraw/zinc/19/00/25/189190025.db2.gz XXHQNTZYMRYHJZ-QMMMGPOBSA-N -1 3 252.318 1.968 10 0 CDAEHM COc1nc(NC(=O)[C@@H](C)CC2CCCC2)n[n-]1 ZINC000179373947 189190026 /nfs/dbraw/zinc/19/00/26/189190026.db2.gz XXHQNTZYMRYHJZ-QMMMGPOBSA-N -1 3 252.318 1.968 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](C)CC2CCCC2)n1 ZINC000179373947 189190027 /nfs/dbraw/zinc/19/00/27/189190027.db2.gz XXHQNTZYMRYHJZ-QMMMGPOBSA-N -1 3 252.318 1.968 10 0 CDAEHM 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CDAEHM CCc1nnc(CNC(=O)c2ccc(C)c(C)c2[O-])o1 ZINC000412215277 240088155 /nfs/dbraw/zinc/08/81/55/240088155.db2.gz NDMRJDPVNCFEJY-UHFFFAOYSA-N -1 3 275.308 1.884 10 0 CDAEHM O=C(CNC(=O)c1cc(=O)c2ccccc2[n-]1)C1CC1 ZINC000272941237 365452622 /nfs/dbraw/zinc/45/26/22/365452622.db2.gz MKGYUQGUZVMOBJ-UHFFFAOYSA-N -1 3 270.288 1.649 10 0 CDAEHM CC[C@H](NCc1cc(=O)n2[n-]ccc2n1)[C@H]1CCCCO1 ZINC000653875753 412745818 /nfs/dbraw/zinc/74/58/18/412745818.db2.gz ZFRQYBGPEKWLEF-QWHCGFSZSA-N -1 3 290.367 1.460 10 0 CDAEHM CCCCS(=O)(=O)[N-]Cc1nc([C@@H](C)C2CC2)no1 ZINC000357597788 367089505 /nfs/dbraw/zinc/08/95/05/367089505.db2.gz QEHBWGHSQNAFES-VIFPVBQESA-N -1 3 287.385 1.803 10 0 CDAEHM CCN(C(=O)c1cccc(OC)c1[O-])[C@@H]1CCOC1 ZINC000312073709 367146781 /nfs/dbraw/zinc/14/67/81/367146781.db2.gz PASKYLMTPLNUTG-SNVBAGLBSA-N -1 3 265.309 1.652 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cs1 ZINC000358144008 367467449 /nfs/dbraw/zinc/46/74/49/367467449.db2.gz BWLGOYSTPKMMHT-VXGBXAGGSA-N -1 3 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270.720 1.953 10 0 CDAEHM COc1cc(=NC(=O)c2ccc(N(C)C)cc2F)[n-]n1C ZINC000548142937 369767625 /nfs/dbraw/zinc/76/76/25/369767625.db2.gz FEQDYXSHTWGYAQ-UHFFFAOYSA-N -1 3 292.314 1.308 10 0 CDAEHM CCc1ccc(C(=O)NC[C@H](O)C(F)(F)F)c([O-])c1 ZINC000276556170 193380404 /nfs/dbraw/zinc/38/04/04/193380404.db2.gz RANUSJDWPLHEKC-JTQLQIEISA-N -1 3 277.242 1.608 10 0 CDAEHM COc1cc(=NC(=O)NCCC2=CCCCC2)[n-]n1C ZINC000548167018 369775340 /nfs/dbraw/zinc/77/53/40/369775340.db2.gz FESKKWBRLLXKQI-UHFFFAOYSA-N -1 3 278.356 1.863 10 0 CDAEHM COc1cc(=NC(=O)c2sc(C)nc2C)[n-]n1C ZINC000548472891 369870546 /nfs/dbraw/zinc/87/05/46/369870546.db2.gz ORIJMDFDEYBBSY-UHFFFAOYSA-N -1 3 266.326 1.176 10 0 CDAEHM CSCCCCNC(=O)c1ccc2n[n-]nc2c1 ZINC000119102682 369987527 /nfs/dbraw/zinc/98/75/27/369987527.db2.gz RAAMIIVZQGHJQF-UHFFFAOYSA-N -1 3 264.354 1.831 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CC[C@H]2OCC[C@H]2C1 ZINC000370623070 370108448 /nfs/dbraw/zinc/10/84/48/370108448.db2.gz UVSSPNZKRAJWDE-TVQRCGJNSA-N -1 3 263.293 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275.348 1.868 10 0 CDAEHM COC(=O)c1cc(N)c([O-])cc1I ZINC000575639951 372298789 /nfs/dbraw/zinc/29/87/89/372298789.db2.gz LPCFAHGTJARJRT-UHFFFAOYSA-N -1 3 293.060 1.366 10 0 CDAEHM Cc1nc(C[N-]S(=O)(=O)CCC(C)(C)C)no1 ZINC000173401646 372482879 /nfs/dbraw/zinc/48/28/79/372482879.db2.gz IURLSDKPGIWXJH-UHFFFAOYSA-N -1 3 261.347 1.234 10 0 CDAEHM Cc1cn2c(n1)CN(C(=O)c1c(C)cccc1[O-])CC2 ZINC000626417107 372895636 /nfs/dbraw/zinc/89/56/36/372895636.db2.gz BDQUUBYRSLEDTE-UHFFFAOYSA-N -1 3 271.320 1.862 10 0 CDAEHM CN(Cc1cc(=O)[n-]c(=O)[nH]1)Cc1c(F)cccc1Cl ZINC000044867504 412807286 /nfs/dbraw/zinc/80/72/86/412807286.db2.gz WRXCNKOWDSUZRN-UHFFFAOYSA-N -1 3 297.717 1.900 10 0 CDAEHM CC[C@H]1[C@@H](CO)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000385918764 373313739 /nfs/dbraw/zinc/31/37/39/373313739.db2.gz SLMYOUOGSYDWTE-SKDRFNHKSA-N -1 3 265.309 1.331 10 0 CDAEHM O=C1[N-]C(=O)C(=CN[C@@H]2C[C@@H]3OCCC[C@H]23)c2ccccc21 ZINC000190077671 373315644 /nfs/dbraw/zinc/31/56/44/373315644.db2.gz 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ZINC000660750222 413439121 /nfs/dbraw/zinc/43/91/21/413439121.db2.gz ZGRSCCCIWWKUEQ-VXGBXAGGSA-N -1 3 295.383 1.367 10 0 CDAEHM CN(C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000008374286 170333752 /nfs/dbraw/zinc/33/37/52/170333752.db2.gz QXGXAXPZHRAGIC-UHFFFAOYSA-N -1 3 270.141 1.143 10 0 CDAEHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(NN)nc1 ZINC000021017078 171289853 /nfs/dbraw/zinc/28/98/53/171289853.db2.gz WQALKYARARYHDT-UHFFFAOYSA-N -1 3 292.364 1.730 10 0 CDAEHM NN=c1[nH]cccc1S(=O)(=O)[N-]C1CCCCCCC1 ZINC000035358196 172148819 /nfs/dbraw/zinc/14/88/19/172148819.db2.gz JFPPDJYGOVYHDD-UHFFFAOYSA-N -1 3 298.412 1.758 10 0 CDAEHM Cc1ccccc1[C@@H](C)NC(=O)CNCCC(=O)[O-] ZINC000035386231 172167988 /nfs/dbraw/zinc/16/79/88/172167988.db2.gz YLQWLVUINYWWMY-LLVKDONJSA-N -1 3 264.325 1.237 10 0 CDAEHM CC(C)(c1nc(-c2cc(=O)[n-]cn2)no1)n1cccn1 ZINC000664909932 413729116 /nfs/dbraw/zinc/72/91/16/413729116.db2.gz BQKGXXLCUYPHDE-UHFFFAOYSA-N -1 3 272.268 1.212 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H](Cn3ccnn3)C2)n1 ZINC000661138379 413818356 /nfs/dbraw/zinc/81/83/56/413818356.db2.gz ALBSFYVXCBDKBC-NWDGAFQWSA-N -1 3 288.355 1.165 10 0 CDAEHM COc1cc([C@@H](NC2CC2)C(=O)[O-])cc(OC)c1OC ZINC000037183693 173015980 /nfs/dbraw/zinc/01/59/80/173015980.db2.gz NASNFXFSXBFECS-GFCCVEGCSA-N -1 3 281.308 1.590 10 0 CDAEHM CCOC([O-])=NC(=O)CSc1ccc(N)nc1 ZINC000037192343 173020724 /nfs/dbraw/zinc/02/07/24/173020724.db2.gz NBNHCDIIEKOMFH-UHFFFAOYSA-N -1 3 255.299 1.029 10 0 CDAEHM CCOC(=O)[N-]C(=O)CSc1ccc(N)nc1 ZINC000037192343 173020726 /nfs/dbraw/zinc/02/07/26/173020726.db2.gz NBNHCDIIEKOMFH-UHFFFAOYSA-N -1 3 255.299 1.029 10 0 CDAEHM C[C@@H]1CN(CC(=O)c2cc(F)ccc2[O-])C[C@@H](C)O1 ZINC000037332540 173133510 /nfs/dbraw/zinc/13/35/10/173133510.db2.gz OFLPJUUTPUDGIH-NXEZZACHSA-N -1 3 267.300 1.823 10 0 CDAEHM CCCCCNC(=O)[C@H](C)N(CC)CCC(=O)[O-] ZINC000038025085 174008955 /nfs/dbraw/zinc/00/89/55/174008955.db2.gz VHUNDIXFMLPLRP-NSHDSACASA-N -1 3 258.362 1.478 10 0 CDAEHM CC[C@H](C)NC(=O)[C@H](C)N1CCCC[C@@H]1CC(=O)[O-] ZINC000038028036 174015437 /nfs/dbraw/zinc/01/54/37/174015437.db2.gz XNVNQOGIXWZXHX-SDDRHHMPSA-N -1 3 270.373 1.619 10 0 CDAEHM CC(C)N(CCCO)C(=O)c1ccc(O)cc1[O-] ZINC000038098386 174113640 /nfs/dbraw/zinc/11/36/40/174113640.db2.gz CCERFUBPQODMMZ-UHFFFAOYSA-N -1 3 253.298 1.331 10 0 CDAEHM CO[N-]C(=O)/C=C/c1cn(Cc2ccccc2)nn1 ZINC000040017418 174182928 /nfs/dbraw/zinc/18/29/28/174182928.db2.gz CPPFBRRZJBRSQJ-BQYQJAHWSA-N -1 3 258.281 1.017 10 0 CDAEHM O=C([O-])c1cccnc1OCCN1CCCCC1 ZINC000040240213 174212543 /nfs/dbraw/zinc/21/25/43/174212543.db2.gz FQZNCSDDIZAADU-UHFFFAOYSA-N -1 3 250.298 1.645 10 0 CDAEHM O=C([O-])c1ccnc(OCCN2CCCCC2)c1 ZINC000040240214 174212943 /nfs/dbraw/zinc/21/29/43/174212943.db2.gz QFGDFKFTHUVGQP-UHFFFAOYSA-N -1 3 250.298 1.645 10 0 CDAEHM C[C@](N)(C(=O)Nc1ccc(F)cc1C(=O)[O-])C1CC1 ZINC000040480003 174284432 /nfs/dbraw/zinc/28/44/32/174284432.db2.gz XAQPLSDUBVLZJP-CYBMUJFWSA-N -1 3 266.272 1.590 10 0 CDAEHM CC(C)(C)[C@H](N)C(=O)N1c2ccccc2C[C@@H]1C(=O)[O-] ZINC000040480786 174284542 /nfs/dbraw/zinc/28/45/42/174284542.db2.gz GPKIFYCCZCXFKQ-VXGBXAGGSA-N -1 3 276.336 1.402 10 0 CDAEHM CCCC[C@H](N)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000040480871 174284913 /nfs/dbraw/zinc/28/49/13/174284913.db2.gz WRBFQCLAFBLOQT-LBPRGKRZSA-N -1 3 276.336 1.791 10 0 CDAEHM CC(C)[C@@H](N)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000040483133 174286163 /nfs/dbraw/zinc/28/61/63/174286163.db2.gz FBUHALGAHQJQNK-GFCCVEGCSA-N -1 3 264.325 1.027 10 0 CDAEHM NC1(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)CCCCC1 ZINC000040486682 174289099 /nfs/dbraw/zinc/28/90/99/174289099.db2.gz CXHJCCVXUSLOJY-GFCCVEGCSA-N -1 3 282.384 1.798 10 0 CDAEHM CCC[C@](C)(NC(=O)N[C@@H]1CN2CCC1CC2)C(=O)[O-] ZINC000040551299 174328028 /nfs/dbraw/zinc/32/80/28/174328028.db2.gz WXYPRYXAZJBJTJ-RISCZKNCSA-N -1 3 283.372 1.023 10 0 CDAEHM COC(=O)N[C@@]([O-])(c1nc(C)cs1)C(F)(F)F ZINC000040556175 174330988 /nfs/dbraw/zinc/33/09/88/174330988.db2.gz MGOTTYFUETUXQJ-SSDOTTSWSA-N -1 3 270.232 1.515 10 0 CDAEHM COC(=O)[C@H](C)CN(C)C(=O)c1ccc([O-])cc1 ZINC000042696655 174844561 /nfs/dbraw/zinc/84/45/61/174844561.db2.gz QZJJMGBFVBNDDU-SECBINFHSA-N -1 3 251.282 1.273 10 0 CDAEHM Cc1cc(=O)[n-]c(S[C@@H](CN)c2ccco2)n1 ZINC000043338271 175012778 /nfs/dbraw/zinc/01/27/78/175012778.db2.gz VJRZCZYKZCHMQU-VIFPVBQESA-N -1 3 251.311 1.876 10 0 CDAEHM O=C([O-])CC1(CNC(=O)N2CCCNCC2)CCCCC1 ZINC000043414318 175037842 /nfs/dbraw/zinc/03/78/42/175037842.db2.gz GDARFCNZHGCMKX-UHFFFAOYSA-N -1 3 297.399 1.417 10 0 CDAEHM O=C([O-])/C=C/c1ccsc1CN(CCO)C1CC1 ZINC000043685771 175094192 /nfs/dbraw/zinc/09/41/92/175094192.db2.gz CRDVHRCJJOQXCN-DAFODLJHSA-N -1 3 267.350 1.803 10 0 CDAEHM Cc1cc(C(=O)[N-]c2ccc(S(N)(=O)=O)cc2F)on1 ZINC000044362468 175167216 /nfs/dbraw/zinc/16/72/16/175167216.db2.gz DRTWSTIZNYRSHL-UHFFFAOYSA-N -1 3 299.283 1.022 10 0 CDAEHM CCn1cc([C@@H](C)Nc2ccc3c(c2)C(=O)[N-]C3=O)cn1 ZINC000044494855 175182026 /nfs/dbraw/zinc/18/20/26/175182026.db2.gz HHKRJUPOSKNXPH-SECBINFHSA-N -1 3 284.319 1.960 10 0 CDAEHM CC(C)[C@@](C)(CC(=O)NC[C@H]1CCCN(C)C1)C(=O)[O-] ZINC000044536257 175199109 /nfs/dbraw/zinc/19/91/09/175199109.db2.gz FNQDGONWVJXBPO-IUODEOHRSA-N -1 3 284.400 1.581 10 0 CDAEHM Brc1ccc2c(c1)CC[C@@H]2NCc1nn[n-]n1 ZINC000044929136 175279153 /nfs/dbraw/zinc/27/91/53/175279153.db2.gz UNNZDMRSOZNPPD-JTQLQIEISA-N -1 3 294.156 1.739 10 0 CDAEHM Clc1ccccc1C1CC(NCc2nn[n-]n2)C1 ZINC000044928546 175279354 /nfs/dbraw/zinc/27/93/54/175279354.db2.gz OROYRLVGGOCYHV-UHFFFAOYSA-N -1 3 263.732 1.889 10 0 CDAEHM Clc1ccccc1C1CC(NCc2nnn[n-]2)C1 ZINC000044928546 175279356 /nfs/dbraw/zinc/27/93/56/175279356.db2.gz OROYRLVGGOCYHV-UHFFFAOYSA-N -1 3 263.732 1.889 10 0 CDAEHM C[C@@H](CNC(=O)N[C@H](CC(=O)[O-])c1ccccc1)N(C)C ZINC000045112013 175310342 /nfs/dbraw/zinc/31/03/42/175310342.db2.gz ZHKKXSLFJWMVAS-WCQYABFASA-N -1 3 293.367 1.452 10 0 CDAEHM CCC[C@@]1(C(=O)[O-])CCCN([C@@H]2CCN(C)C2=O)C1 ZINC000071184636 176059654 /nfs/dbraw/zinc/05/96/54/176059654.db2.gz XVQUJUJGMCNXEX-BXUZGUMPSA-N -1 3 268.357 1.184 10 0 CDAEHM CCCNc1ccncc1S(=O)(=O)[N-]CC(F)(F)F ZINC000071226542 176089789 /nfs/dbraw/zinc/08/97/89/176089789.db2.gz PUECGDHHQODGEX-UHFFFAOYSA-N -1 3 297.302 1.744 10 0 CDAEHM CCn1cc([N-]S(=O)(=O)c2ccc(F)c(CN)c2)cn1 ZINC000071240087 176094376 /nfs/dbraw/zinc/09/43/76/176094376.db2.gz YUCWYABLGCDTHH-UHFFFAOYSA-N -1 3 298.343 1.302 10 0 CDAEHM CC[C@@H]1CCCC[C@H]1N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000071245464 176095019 /nfs/dbraw/zinc/09/50/19/176095019.db2.gz CQOMVRRRWBWJHH-UTUOFQBUSA-N -1 3 268.357 1.230 10 0 CDAEHM Nc1n[nH]cc1S(=O)(=O)[N-]Cc1ccc(Cl)s1 ZINC000071306468 176115891 /nfs/dbraw/zinc/11/58/91/176115891.db2.gz PNDCWQAJFQNYJB-UHFFFAOYSA-N -1 3 292.773 1.185 10 0 CDAEHM CC[C@@H](N)C(=O)Nc1ccc(C(=O)[O-])cc1Cl ZINC000071392055 176148942 /nfs/dbraw/zinc/14/89/42/176148942.db2.gz FRYMMUGPHMIDPT-MRVPVSSYSA-N -1 3 256.689 1.714 10 0 CDAEHM Cc1cc(C[N-]S(=O)(=O)c2cc(N)cc(F)c2)no1 ZINC000071402982 176154670 /nfs/dbraw/zinc/15/46/70/176154670.db2.gz JEVPLIIZFVIJDN-UHFFFAOYSA-N -1 3 285.300 1.183 10 0 CDAEHM Cc1ccncc1[N-]S(=O)(=O)c1ccc(CN)s1 ZINC000071414486 176159741 /nfs/dbraw/zinc/15/97/41/176159741.db2.gz QEARUGTYVKTSPC-UHFFFAOYSA-N -1 3 283.378 1.711 10 0 CDAEHM CC(C)Oc1ccc(CNC(=O)c2c[n-]nn2)cc1F ZINC000071879551 176288135 /nfs/dbraw/zinc/28/81/35/176288135.db2.gz GPPJVUBHOOCSOD-UHFFFAOYSA-N -1 3 278.287 1.661 10 0 CDAEHM CC(C)Oc1ccc(CNC(=O)c2cnn[n-]2)cc1F ZINC000071879551 176288137 /nfs/dbraw/zinc/28/81/37/176288137.db2.gz GPPJVUBHOOCSOD-UHFFFAOYSA-N -1 3 278.287 1.661 10 0 CDAEHM CC(C)Oc1ccc(CNC(=O)c2cn[n-]n2)cc1F ZINC000071879551 176288139 /nfs/dbraw/zinc/28/81/39/176288139.db2.gz GPPJVUBHOOCSOD-UHFFFAOYSA-N -1 3 278.287 1.661 10 0 CDAEHM C[C@H](CS(C)(=O)=O)NCc1ccc([O-])c(Cl)c1 ZINC000078638837 177363785 /nfs/dbraw/zinc/36/37/85/177363785.db2.gz QIAYKPCTOJBZIJ-MRVPVSSYSA-N -1 3 277.773 1.568 10 0 CDAEHM C[C@H](O)CCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000080114528 177611786 /nfs/dbraw/zinc/61/17/86/177611786.db2.gz JRWNHGGJPRGQEB-VIFPVBQESA-N -1 3 260.293 1.029 10 0 CDAEHM C[C@@H]1COC[C@@H](C)N1C(=O)/C=C/c1cncc([O-])c1 ZINC000179513338 260052325 /nfs/dbraw/zinc/05/23/25/260052325.db2.gz XYBRLTIRFCVBFD-YIZUVKHSSA-N -1 3 262.309 1.436 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-]CCC2(CO)CCC2)s1 ZINC000651906944 423878106 /nfs/dbraw/zinc/87/81/06/423878106.db2.gz SKDSJQMTZNNNOQ-UHFFFAOYSA-N -1 3 290.410 1.283 10 0 CDAEHM O=C(N[C@H](CO)CCF)c1cc2c(cc1[O-])CCCC2 ZINC000652914782 423842067 /nfs/dbraw/zinc/84/20/67/423842067.db2.gz ZERRHNJXDWFAKF-LBPRGKRZSA-N -1 3 281.327 1.721 10 0 CDAEHM COc1cccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC2)c1F ZINC000655581747 424097559 /nfs/dbraw/zinc/09/75/59/424097559.db2.gz NSSSGSTWCRXERO-VHSXEESVSA-N -1 3 285.340 1.911 10 0 CDAEHM O=S(=O)([N-][C@@H](C1CC1)[C@@H]1CCCCO1)c1ccco1 ZINC000655624101 424202110 /nfs/dbraw/zinc/20/21/10/424202110.db2.gz BUNCRSLZFYWHLC-AAEUAGOBSA-N -1 3 285.365 1.906 10 0 CDAEHM CN(C)c1nc(C(=O)N2CC[C@@H](C3CCC3)C2)cc(=O)[n-]1 ZINC000665683222 424571632 /nfs/dbraw/zinc/57/16/32/424571632.db2.gz RINDCKRHGWSXJR-LLVKDONJSA-N -1 3 290.367 1.510 10 0 CDAEHM CC(C)(C)[C@H](O)CNC(=O)c1ccc(O)cc1[O-] ZINC000324378250 270332047 /nfs/dbraw/zinc/33/20/47/270332047.db2.gz VSRXZPVQLBZEKI-LLVKDONJSA-N -1 3 253.298 1.235 10 0 CDAEHM CCO[C@@]1(C)C[C@H]1NC(=O)N=c1cc2ccccn2[n-]1 ZINC000529093355 270904569 /nfs/dbraw/zinc/90/45/69/270904569.db2.gz OMQFECKVYWBVOD-RISCZKNCSA-N -1 3 274.324 1.445 10 0 CDAEHM CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1ccc2n[n-]nc2c1 ZINC000529781204 271039359 /nfs/dbraw/zinc/03/93/59/271039359.db2.gz IEGLMCVMZROLKX-LKFCYVNXSA-N -1 3 272.308 1.255 10 0 CDAEHM COc1cccc(C(=O)N(C)OCC(F)(F)F)c1[O-] ZINC000530259836 271187056 /nfs/dbraw/zinc/18/70/56/271187056.db2.gz DISZKBAVZHQUOS-UHFFFAOYSA-N -1 3 279.214 1.967 10 0 CDAEHM CC(C)(C)N1CC[C@@H](NC(=O)c2cccc([O-])c2)C1=O ZINC000335501973 278344154 /nfs/dbraw/zinc/34/41/54/278344154.db2.gz UJEOOORDHSMNBO-GFCCVEGCSA-N -1 3 276.336 1.521 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)Cc2cccnc2)n[n-]1 ZINC000119605014 279367561 /nfs/dbraw/zinc/36/75/61/279367561.db2.gz IQUHIHDINASDKM-UHFFFAOYSA-N -1 3 282.307 1.386 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)Cc2cccnc2)[n-]n1 ZINC000119605014 279367562 /nfs/dbraw/zinc/36/75/62/279367562.db2.gz IQUHIHDINASDKM-UHFFFAOYSA-N -1 3 282.307 1.386 10 0 CDAEHM C[C@H](O)CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000127520791 279534525 /nfs/dbraw/zinc/53/45/25/279534525.db2.gz VMWVKLAOLXEUJY-QMMMGPOBSA-N -1 3 265.309 1.216 10 0 CDAEHM COc1cccc(C(=O)NCC[C@@H]2CCOC2)c1[O-] ZINC000230145168 280114592 /nfs/dbraw/zinc/11/45/92/280114592.db2.gz BLQHJZRRJRWDQL-SNVBAGLBSA-N -1 3 265.309 1.557 10 0 CDAEHM CC[C@@H]1[C@H](CO)CCN1C(=O)c1ccc(OC)cc1[O-] ZINC000331312797 280606168 /nfs/dbraw/zinc/60/61/68/280606168.db2.gz HPPBLZKPGRHMFP-GXFFZTMASA-N -1 3 279.336 1.634 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2C[C@H](C)O[C@H](C)[C@@H]2C)n1 ZINC000446067282 280794626 /nfs/dbraw/zinc/79/46/26/280794626.db2.gz AMRQTUBEWDMHHB-GARJFASQSA-N -1 3 265.357 1.742 10 0 CDAEHM C[C@H](O)C1CCN(C(=O)c2cccc3[n-]nnc32)CC1 ZINC000527357843 281131434 /nfs/dbraw/zinc/13/14/34/281131434.db2.gz FMOJPNFEGAYTJK-VIFPVBQESA-N -1 3 274.324 1.191 10 0 CDAEHM C[C@H](O)C1CCN(C(=O)c2cccc3nn[n-]c32)CC1 ZINC000527357843 281131435 /nfs/dbraw/zinc/13/14/35/281131435.db2.gz FMOJPNFEGAYTJK-VIFPVBQESA-N -1 3 274.324 1.191 10 0 CDAEHM C[C@H](O)C1CCN(C(=O)c2cccc3n[n-]nc32)CC1 ZINC000527357843 281131437 /nfs/dbraw/zinc/13/14/37/281131437.db2.gz FMOJPNFEGAYTJK-VIFPVBQESA-N -1 3 274.324 1.191 10 0 CDAEHM Cc1nc(CCNC(=O)NCc2ncccc2[O-])c(C)o1 ZINC000527452067 281137782 /nfs/dbraw/zinc/13/77/82/281137782.db2.gz OZAPJSZVFBJDRK-UHFFFAOYSA-N -1 3 290.323 1.434 10 0 CDAEHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(C)o2)cn1 ZINC000528530854 281254347 /nfs/dbraw/zinc/25/43/47/281254347.db2.gz AMWAYVROZPRCND-UHFFFAOYSA-N -1 3 296.348 1.513 10 0 CDAEHM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)C(=O)[N-]c2cnns2)C1 ZINC000430013195 288681833 /nfs/dbraw/zinc/68/18/33/288681833.db2.gz UOGUVAGLOUHGGL-VGMNWLOBSA-N -1 3 282.369 1.370 10 0 CDAEHM CN(C)[C@H]1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000185820464 289384559 /nfs/dbraw/zinc/38/45/59/289384559.db2.gz LROHZBVUZFHSAB-ZETCQYMHSA-N -1 3 288.269 1.586 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC2=CCOCC2)c(F)c1 ZINC000404881457 289446305 /nfs/dbraw/zinc/44/63/05/289446305.db2.gz AHUNGEAADOYKSW-UHFFFAOYSA-N -1 3 285.340 1.759 10 0 CDAEHM COc1cc(=NC(=O)N2CCC[C@H]2CC(C)C)[n-]n1C ZINC000547839252 289815252 /nfs/dbraw/zinc/81/52/52/289815252.db2.gz WEDUBANNLPTYQP-NSHDSACASA-N -1 3 280.372 1.893 10 0 CDAEHM COc1cc(=NC(=O)NCc2ccc(F)c(F)c2)[n-]n1C ZINC000547840357 289815276 /nfs/dbraw/zinc/81/52/76/289815276.db2.gz FXIKTLWDUZQHPJ-UHFFFAOYSA-N -1 3 296.277 1.451 10 0 CDAEHM COc1cc(=NC(=O)NC[C@H]2CCC[C@H](C)C2)[n-]n1C ZINC000547840613 289815567 /nfs/dbraw/zinc/81/55/67/289815567.db2.gz VUQDYMQRMLOPNK-QWRGUYRKSA-N -1 3 280.372 1.798 10 0 CDAEHM COCc1nc(C(=O)[N-]c2ccncc2F)co1 ZINC000547864924 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O=C(c1ccccc1[O-])N1CCOC[C@H]1C(F)(F)F ZINC000606785824 345087883 /nfs/dbraw/zinc/08/78/83/345087883.db2.gz DLQVKBIGFPGKOB-JTQLQIEISA-N -1 3 275.226 1.796 10 0 CDAEHM CCc1cc(C(=O)NCC[C@@H](COC)OC)ccc1[O-] ZINC000617242059 345060535 /nfs/dbraw/zinc/06/05/35/345060535.db2.gz RYNZJISRWPCUBP-ZDUSSCGKSA-N -1 3 281.352 1.736 10 0 CDAEHM CCOc1c(Cl)cc(-c2nnn[n-]2)cc1OC ZINC000095175999 345115278 /nfs/dbraw/zinc/11/52/78/345115278.db2.gz SLNWDYCIYNUAGD-UHFFFAOYSA-N -1 3 254.677 1.927 10 0 CDAEHM CCOc1c(Cl)cc(-c2nn[n-]n2)cc1OC ZINC000095175999 345115282 /nfs/dbraw/zinc/11/52/82/345115282.db2.gz SLNWDYCIYNUAGD-UHFFFAOYSA-N -1 3 254.677 1.927 10 0 CDAEHM COc1cccc(C(=O)N[C@H](CO)C2CCC2)c1[O-] ZINC000617300988 345136070 /nfs/dbraw/zinc/13/60/70/345136070.db2.gz KWSQHIMZIYYESZ-LLVKDONJSA-N -1 3 265.309 1.292 10 0 CDAEHM CCCCN(C)S(=O)(=O)Nc1c([O-])cccc1F ZINC000608342012 345727066 /nfs/dbraw/zinc/72/70/66/345727066.db2.gz AVUMSZHGSHLMKA-UHFFFAOYSA-N -1 3 276.333 1.920 10 0 CDAEHM 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1.216 10 0 CDAEHM CN(C)c1c(Cl)cccc1NC(=O)[C@@H](N)CC(=O)[O-] ZINC000085812325 179178517 /nfs/dbraw/zinc/17/85/17/179178517.db2.gz PAFDCSOWSDCXOM-QMMMGPOBSA-N -1 3 285.731 1.147 10 0 CDAEHM N[C@H](CCC(=O)[O-])C(=O)N[C@H]1CCCc2ccccc21 ZINC000085819068 179181796 /nfs/dbraw/zinc/18/17/96/179181796.db2.gz BAMQTKPLTMPMAK-OLZOCXBDSA-N -1 3 276.336 1.372 10 0 CDAEHM N[C@H](CCC(=O)[O-])C(=O)Nc1cccc2cnccc21 ZINC000085819287 179182132 /nfs/dbraw/zinc/18/21/32/179182132.db2.gz FGWBZRJKAIFOHK-LLVKDONJSA-N -1 3 273.292 1.365 10 0 CDAEHM C[C@@H](NC(=O)[C@@H](N)CCC(=O)[O-])c1ccc(Cl)s1 ZINC000085819432 179182178 /nfs/dbraw/zinc/18/21/78/179182178.db2.gz DPGUUHFSGHZRRJ-RQJHMYQMSA-N -1 3 290.772 1.771 10 0 CDAEHM CC[C@@H](NC(=O)[C@@H](N)CCC(=O)[O-])c1ccc(C)cc1 ZINC000085819540 179183185 /nfs/dbraw/zinc/18/31/85/179183185.db2.gz GPMKFOQNGHCMQW-QWHCGFSZSA-N -1 3 278.352 1.754 10 0 CDAEHM CCC1CCC(NC(=O)[C@H](N)CCC(=O)[O-])CC1 ZINC000085842926 179186215 /nfs/dbraw/zinc/18/62/15/179186215.db2.gz 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/nfs/dbraw/zinc/54/63/51/357546351.db2.gz GWHRZCACIGPZSI-QMMMGPOBSA-N -1 3 272.374 1.510 10 0 CDAEHM CC(C)C[C@H](C)C(=O)Nc1nc(SCCO)n[n-]1 ZINC000185468516 357546356 /nfs/dbraw/zinc/54/63/56/357546356.db2.gz GWHRZCACIGPZSI-QMMMGPOBSA-N -1 3 272.374 1.510 10 0 CDAEHM CC(C)C[C@H](C)C(=O)Nc1n[n-]c(SCCO)n1 ZINC000185468516 357546359 /nfs/dbraw/zinc/54/63/59/357546359.db2.gz GWHRZCACIGPZSI-QMMMGPOBSA-N -1 3 272.374 1.510 10 0 CDAEHM CCN1CCN(C(=O)c2cccc([O-])c2)C(C)(C)C1=O ZINC000186446702 357648751 /nfs/dbraw/zinc/64/87/51/357648751.db2.gz VHRFZQNSLLMIKJ-UHFFFAOYSA-N -1 3 276.336 1.475 10 0 CDAEHM O=C(CCCCc1c[nH]nn1)[N-]OCc1ccc(F)cc1 ZINC000186449084 357648899 /nfs/dbraw/zinc/64/88/99/357648899.db2.gz VPZHOTDTLGHCBQ-UHFFFAOYSA-N -1 3 292.314 1.905 10 0 CDAEHM O=C(CCCCc1cn[nH]n1)[N-]OCc1ccc(F)cc1 ZINC000186449084 357648905 /nfs/dbraw/zinc/64/89/05/357648905.db2.gz VPZHOTDTLGHCBQ-UHFFFAOYSA-N -1 3 292.314 1.905 10 0 CDAEHM CNC(=O)[C@H](C)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000294759638 199170328 /nfs/dbraw/zinc/17/03/28/199170328.db2.gz WWYUXMZSKSOJMC-VIFPVBQESA-N -1 3 276.336 1.135 10 0 CDAEHM Cc1nc(CN(C)[C@@H](C)c2nc(C)cc(=O)[n-]2)no1 ZINC000192769863 358233679 /nfs/dbraw/zinc/23/36/79/358233679.db2.gz NQHSPUIZLFSHQN-QMMMGPOBSA-N -1 3 263.301 1.375 10 0 CDAEHM CO[C@H]1COCC[C@@H]1CC(=O)Nc1ncccc1[O-] ZINC000294924438 199251841 /nfs/dbraw/zinc/25/18/41/199251841.db2.gz CVFRQUNURQJUIK-KOLCDFICSA-N -1 3 266.297 1.167 10 0 CDAEHM COc1nnc(NC(=O)[C@H](Cc2ccccc2)OC)[n-]1 ZINC000294949173 199265403 /nfs/dbraw/zinc/26/54/03/199265403.db2.gz MITQTHABCVMCBE-JTQLQIEISA-N -1 3 276.296 1.010 10 0 CDAEHM COc1nc(NC(=O)[C@H](Cc2ccccc2)OC)n[n-]1 ZINC000294949173 199265405 /nfs/dbraw/zinc/26/54/05/199265405.db2.gz MITQTHABCVMCBE-JTQLQIEISA-N -1 3 276.296 1.010 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H](Cc2ccccc2)OC)n1 ZINC000294949173 199265406 /nfs/dbraw/zinc/26/54/06/199265406.db2.gz MITQTHABCVMCBE-JTQLQIEISA-N -1 3 276.296 1.010 10 0 CDAEHM COc1cccc(C(=O)NC[C@H](C)CCO)c1[O-] ZINC000097443190 358776767 /nfs/dbraw/zinc/77/67/67/358776767.db2.gz YCLLGAJOGSGYLW-SECBINFHSA-N -1 3 253.298 1.149 10 0 CDAEHM C[C@@H](F)CCNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000356658771 366466825 /nfs/dbraw/zinc/46/68/25/366466825.db2.gz ZNUBPZJGKIIDDT-SECBINFHSA-N -1 3 288.344 1.536 10 0 CDAEHM C[C@@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)c1cccnc1 ZINC000119782412 359104535 /nfs/dbraw/zinc/10/45/35/359104535.db2.gz PEELTIAEHLWCCV-SNVBAGLBSA-N -1 3 296.334 1.947 10 0 CDAEHM C[C@@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)c1cccnc1 ZINC000119782412 359104538 /nfs/dbraw/zinc/10/45/38/359104538.db2.gz PEELTIAEHLWCCV-SNVBAGLBSA-N -1 3 296.334 1.947 10 0 CDAEHM Cc1nn(C)c(C)c1[N-]S(=O)(=O)N1CCC[C@H](C)C1 ZINC000408217102 359318130 /nfs/dbraw/zinc/31/81/30/359318130.db2.gz XPKURSQHJDEEJU-VIFPVBQESA-N -1 3 286.401 1.426 10 0 CDAEHM CC[C@@H]1CN(CC)CCN1C(=O)c1ncc(C)cc1[O-] ZINC000456384789 363641799 /nfs/dbraw/zinc/64/17/99/363641799.db2.gz QIVCOFZOYSKTND-GFCCVEGCSA-N -1 3 277.368 1.652 10 0 CDAEHM CC(C)[C@@H]1C[C@H](CNC(=O)Cc2cncc([O-])c2)CCO1 ZINC000580464426 359629108 /nfs/dbraw/zinc/62/91/08/359629108.db2.gz PHNWICUXUXCNKH-DOMZBBRYSA-N -1 3 292.379 1.897 10 0 CDAEHM Cc1cnc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c([O-])c1 ZINC000408373418 359707715 /nfs/dbraw/zinc/70/77/15/359707715.db2.gz LGVRPCLPXZHPAP-PWSUYJOCSA-N -1 3 275.352 1.308 10 0 CDAEHM C[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])C[C@H](C)[C@H]1O ZINC000618272079 359699805 /nfs/dbraw/zinc/69/98/05/359699805.db2.gz HAYVHWIQXDVQSO-WOFXILAISA-N -1 3 265.309 1.187 10 0 CDAEHM Cn1ncnc1NC(=O)c1c[n-]nc1-c1ccc(F)cc1 ZINC000162959310 359791823 /nfs/dbraw/zinc/79/18/23/359791823.db2.gz NCFSOSQHHDJRSJ-UHFFFAOYSA-N -1 3 286.270 1.597 10 0 CDAEHM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297620088 200243441 /nfs/dbraw/zinc/24/34/41/200243441.db2.gz BFXKHGAKBZOIOV-XPTSAGLGSA-N -1 3 291.355 1.318 10 0 CDAEHM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297620088 200243442 /nfs/dbraw/zinc/24/34/42/200243442.db2.gz BFXKHGAKBZOIOV-XPTSAGLGSA-N -1 3 291.355 1.318 10 0 CDAEHM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297620088 200243443 /nfs/dbraw/zinc/24/34/43/200243443.db2.gz BFXKHGAKBZOIOV-XPTSAGLGSA-N -1 3 291.355 1.318 10 0 CDAEHM Cn1cc(CCC(=O)Nc2cc(-c3nccn3C)[n-]n2)cn1 ZINC000119744008 359950003 /nfs/dbraw/zinc/95/00/03/359950003.db2.gz GVYBDYCCHLFCLE-UHFFFAOYSA-N -1 3 299.338 1.115 10 0 CDAEHM Cn1cc(CCC(=O)Nc2cc(-c3nccn3C)n[n-]2)cn1 ZINC000119744008 359950006 /nfs/dbraw/zinc/95/00/06/359950006.db2.gz GVYBDYCCHLFCLE-UHFFFAOYSA-N -1 3 299.338 1.115 10 0 CDAEHM CCCSCC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119877238 359966850 /nfs/dbraw/zinc/96/68/50/359966850.db2.gz BAOSKENBXGAZNP-UHFFFAOYSA-N -1 3 279.369 1.892 10 0 CDAEHM CCCSCC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119877238 359966852 /nfs/dbraw/zinc/96/68/52/359966852.db2.gz BAOSKENBXGAZNP-UHFFFAOYSA-N -1 3 279.369 1.892 10 0 CDAEHM CC[C@@H](CCO)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000089520936 360180776 /nfs/dbraw/zinc/18/07/76/360180776.db2.gz APPPJDMVESUYRV-NSHDSACASA-N -1 3 293.363 1.997 10 0 CDAEHM Cn1ccc(S(=O)(=O)[N-]C2(C3CCC3)CCC2)n1 ZINC000335405943 360226430 /nfs/dbraw/zinc/22/64/30/360226430.db2.gz BPTURCKBSZBZOB-UHFFFAOYSA-N -1 3 269.370 1.421 10 0 CDAEHM C[C@@H](CC(=O)[O-])CC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000634844063 360281981 /nfs/dbraw/zinc/28/19/81/360281981.db2.gz CDSADOHBPIWVMZ-MNOVXSKESA-N -1 3 270.373 1.476 10 0 CDAEHM CC(C)(C)N1CC[C@H]1CNC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000634845041 360282620 /nfs/dbraw/zinc/28/26/20/360282620.db2.gz YHOPJZWNCVJIJD-AXFHLTTASA-N -1 3 282.384 1.332 10 0 CDAEHM O=C([N-]O[C@@H]1CCCCO1)[C@H]1CCCN1C1CCOCC1 ZINC000155133546 360433023 /nfs/dbraw/zinc/43/30/23/360433023.db2.gz YCWMAGADCCFRJX-ZIAGYGMSSA-N -1 3 298.383 1.204 10 0 CDAEHM COc1cc(=NC(=O)NCc2cccc3cc[nH]c32)[n-]n1C ZINC000515335823 360475793 /nfs/dbraw/zinc/47/57/93/360475793.db2.gz VYUVEBRYSIDGOY-UHFFFAOYSA-N -1 3 299.334 1.654 10 0 CDAEHM COc1cc(=NC(=O)N[C@H](C)c2cccc(O)c2)[n-]n1C ZINC000516528750 360608557 /nfs/dbraw/zinc/60/85/57/360608557.db2.gz ASWJRGIDVDHLFZ-SECBINFHSA-N -1 3 290.323 1.439 10 0 CDAEHM CC(C)c1nn(C)cc1[N-]S(=O)(=O)N1CCC[C@@H]1C ZINC000408332332 360641175 /nfs/dbraw/zinc/64/11/75/360641175.db2.gz SCYYZSGSPYRCNJ-JTQLQIEISA-N -1 3 286.401 1.685 10 0 CDAEHM CC(C)(C)C1CC(NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)C1 ZINC000356029167 360716946 /nfs/dbraw/zinc/71/69/46/360716946.db2.gz OGBFFZFUZZERCB-UHFFFAOYSA-N -1 3 280.328 1.025 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)[n-]1 ZINC000179371127 189189844 /nfs/dbraw/zinc/18/98/44/189189844.db2.gz HLPMEUBKNJMCBQ-NKWVEPMBSA-N -1 3 294.261 1.834 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)n[n-]1 ZINC000179371127 189189845 /nfs/dbraw/zinc/18/98/45/189189845.db2.gz HLPMEUBKNJMCBQ-NKWVEPMBSA-N -1 3 294.261 1.834 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)n1 ZINC000179371127 189189846 /nfs/dbraw/zinc/18/98/46/189189846.db2.gz 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ZINC000341536880 373773377 /nfs/dbraw/zinc/77/33/77/373773377.db2.gz RNKRMSMOCUDJHL-JTQLQIEISA-N -1 3 250.346 1.655 10 0 CDAEHM Cc1ccc(CS(=O)(=O)[N-]Cc2ccno2)cc1C ZINC000341559007 373746816 /nfs/dbraw/zinc/74/68/16/373746816.db2.gz HYZNOCWIQLBGMB-UHFFFAOYSA-N -1 3 280.349 1.911 10 0 CDAEHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CC[C@H]1C1CC1 ZINC000584512202 373888770 /nfs/dbraw/zinc/88/87/70/373888770.db2.gz LCOOFWGNRHBLSH-LBPRGKRZSA-N -1 3 285.303 1.586 10 0 CDAEHM CCCn1c(=O)[n-]nc1SCC(=O)NCC1CCC1 ZINC000342755010 374440942 /nfs/dbraw/zinc/44/09/42/374440942.db2.gz POIOYNQDYNJADJ-UHFFFAOYSA-N -1 3 284.385 1.402 10 0 CDAEHM O=C(NC1(C(F)F)CC1)c1ccc2n[n-]nc2c1 ZINC000334223494 374530329 /nfs/dbraw/zinc/53/03/29/374530329.db2.gz ZQHWWMLYUFEEMM-UHFFFAOYSA-N -1 3 252.224 1.485 10 0 CDAEHM c1nc2nc(=NC[C@H]3CCCO3)cc(-c3ccccc3)n2[n-]1 ZINC000631029706 374585420 /nfs/dbraw/zinc/58/54/20/374585420.db2.gz FVTWYTPUKCFAAJ-CYBMUJFWSA-N -1 3 295.346 1.804 10 0 CDAEHM CCN1CN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)CC1=O ZINC000342873731 374650353 /nfs/dbraw/zinc/65/03/53/374650353.db2.gz RMBOAWOCQCEQAC-UHFFFAOYSA-N -1 3 299.330 1.098 10 0 CDAEHM CN(C)[C@H]1CCN(C(=O)c2ccc(F)cc2[O-])C1 ZINC000123672560 374705487 /nfs/dbraw/zinc/70/54/87/374705487.db2.gz NMYHLCSGVSHBIG-JTQLQIEISA-N -1 3 252.289 1.307 10 0 CDAEHM CN(C)[C@@H]1CCN(C(=O)c2ccc(F)cc2[O-])C1 ZINC000123672338 374705683 /nfs/dbraw/zinc/70/56/83/374705683.db2.gz NMYHLCSGVSHBIG-SNVBAGLBSA-N -1 3 252.289 1.307 10 0 CDAEHM CCC1([N-]S(=O)(=O)c2ccc(C)o2)CCOCC1 ZINC000334349553 374961986 /nfs/dbraw/zinc/96/19/86/374961986.db2.gz DZZJNPQZGPGFGC-UHFFFAOYSA-N -1 3 273.354 1.826 10 0 CDAEHM Cc1cccc(C(=O)N2CCN(C3CC3)C(=O)C2)c1[O-] ZINC000334375008 375114372 /nfs/dbraw/zinc/11/43/72/375114372.db2.gz CYDKCLUEBGWRBI-UHFFFAOYSA-N -1 3 274.320 1.147 10 0 CDAEHM COc1nc(C(=O)[N-]c2nc(CN(C)C)cs2)co1 ZINC000627710272 375534693 /nfs/dbraw/zinc/53/46/93/375534693.db2.gz HAEAUJSRSHBNMY-UHFFFAOYSA-N -1 3 282.325 1.454 10 0 CDAEHM 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Cc1cc(C[N-]S(=O)(=O)CCOC(C)(C)C)no1 ZINC000631795364 376603424 /nfs/dbraw/zinc/60/34/24/376603424.db2.gz IYOQFJCRCVZBRQ-UHFFFAOYSA-N -1 3 276.358 1.218 10 0 CDAEHM O=c1[nH]cc(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2)s1 ZINC000631796117 376606690 /nfs/dbraw/zinc/60/66/90/376606690.db2.gz RADQDTGTPLKVLI-UWVGGRQHSA-N -1 3 296.373 1.683 10 0 CDAEHM CS[C@@H]1CN(C(=O)c2ncc(C)cc2[O-])C[C@H]1N(C)C ZINC000331173640 376660435 /nfs/dbraw/zinc/66/04/35/376660435.db2.gz GDRKXPGPIKNKGG-ZYHUDNBSSA-N -1 3 295.408 1.213 10 0 CDAEHM COCCN(C(=O)c1cccc(C)c1[O-])[C@@H]1CCOC1 ZINC000331246312 376799041 /nfs/dbraw/zinc/79/90/41/376799041.db2.gz UVQOSRXKEYJHMF-GFCCVEGCSA-N -1 3 279.336 1.578 10 0 CDAEHM O=c1[nH]cc(S(=O)(=O)[N-]CCC(F)(F)F)s1 ZINC000632050260 376951391 /nfs/dbraw/zinc/95/13/91/376951391.db2.gz BVVBPKGPAWDQPO-UHFFFAOYSA-N -1 3 276.261 1.079 10 0 CDAEHM Cc1nocc1S(=O)(=O)[N-][C@H]1CC2CCC1CC2 ZINC000632119768 377028881 /nfs/dbraw/zinc/02/88/81/377028881.db2.gz CBZUPULUAQYEKI-ILDUYXDCSA-N -1 3 270.354 1.840 10 0 CDAEHM CC(C)=CC[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632269999 377217684 /nfs/dbraw/zinc/21/76/84/377217684.db2.gz XXJULROKHHHBBU-UHFFFAOYSA-N -1 3 297.302 1.683 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)CCC(C)(F)F)[C@@H](O)C(F)F ZINC000632390955 377380924 /nfs/dbraw/zinc/38/09/24/377380924.db2.gz OLDUMSOYFGCODZ-NKWVEPMBSA-N -1 3 295.298 1.356 10 0 CDAEHM Cc1cc(C)c(C[N-]S(=O)(=O)c2c[nH]c(=O)s2)cn1 ZINC000632425674 377433825 /nfs/dbraw/zinc/43/38/25/377433825.db2.gz ATEMOBBNWULXSK-UHFFFAOYSA-N -1 3 299.377 1.339 10 0 CDAEHM O=C(NC[C@H]1CNC(=O)C1)c1cc2c(cc1[O-])CCCC2 ZINC000334799019 377417029 /nfs/dbraw/zinc/41/70/29/377417029.db2.gz AMXSIERVQXSSSY-SNVBAGLBSA-N -1 3 288.347 1.137 10 0 CDAEHM Cn1[n-]c(CN2CCC(C(C)(C)C)CC2)nc1=O ZINC000334834666 377581351 /nfs/dbraw/zinc/58/13/51/377581351.db2.gz YOQYWZUORBXSRX-UHFFFAOYSA-N -1 3 252.362 1.367 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2N(C)C)o1 ZINC000334841493 377600437 /nfs/dbraw/zinc/60/04/37/377600437.db2.gz 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/nfs/dbraw/zinc/51/01/23/378510123.db2.gz IVHKGLAHPPBVON-AMUVOQDHSA-N -1 3 277.324 1.330 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(=O)[nH]1)[C@H]1CCCC12CC2 ZINC000633521435 378513611 /nfs/dbraw/zinc/51/36/11/378513611.db2.gz QVLBRKDWNSFXAS-SECBINFHSA-N -1 3 263.297 1.084 10 0 CDAEHM CCc1nc2n(n1)C[C@H](NCc1nc(C)ccc1[O-])CC2 ZINC000069878430 379026166 /nfs/dbraw/zinc/02/61/66/379026166.db2.gz BUPQIEONMZIWHK-LLVKDONJSA-N -1 3 287.367 1.354 10 0 CDAEHM O=S(=O)([N-][C@@H](CO)c1ccsc1)c1ccco1 ZINC000445716855 250226252 /nfs/dbraw/zinc/22/62/52/250226252.db2.gz WDPHQUQFQXPGSW-VIFPVBQESA-N -1 3 273.335 1.353 10 0 CDAEHM CO[C@@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)C1CCC1 ZINC000850177526 781970532 /nfs/dbraw/zinc/97/05/32/781970532.db2.gz WXYYWRPWZHZDQD-SECBINFHSA-N -1 3 297.273 1.413 10 0 CDAEHM C[C@@H](CCO)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000288194232 197023361 /nfs/dbraw/zinc/02/33/61/197023361.db2.gz PVTNGKOZWVGZQA-ZETCQYMHSA-N -1 3 298.286 1.150 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCOC2(C)C)o1 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O=c1nc(C2CCN(Cc3cc(F)cc(F)c3)CC2)[nH][n-]1 ZINC000289358443 197309901 /nfs/dbraw/zinc/30/99/01/197309901.db2.gz HAAOIVJAOUZJFK-UHFFFAOYSA-N -1 3 294.305 1.756 10 0 CDAEHM CN(C)CCNc1ncnc2cc(C(=O)[O-])ccc21 ZINC000001293167 169694613 /nfs/dbraw/zinc/69/46/13/169694613.db2.gz XKORGMCTBKFFIV-UHFFFAOYSA-N -1 3 260.297 1.302 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2ncccc2F)o1 ZINC000530481237 390163301 /nfs/dbraw/zinc/16/33/01/390163301.db2.gz BFSDIFOANMQCJS-UHFFFAOYSA-N -1 3 270.285 1.601 10 0 CDAEHM C/C=C\C[C@H]1CCCN(C(=O)C(=O)[N-]c2cnns2)C1 ZINC000628095236 390589828 /nfs/dbraw/zinc/58/98/28/390589828.db2.gz IECINDCHADBRSG-ZMWSMAPVSA-N -1 3 294.380 1.681 10 0 CDAEHM Cc1nc(CNC(=O)NCc2ccc([O-])c(F)c2)no1 ZINC000074375049 390652405 /nfs/dbraw/zinc/65/24/05/390652405.db2.gz PQBCMBQNIOSXHO-UHFFFAOYSA-N -1 3 280.259 1.222 10 0 CDAEHM C[C@H](CC1CCCC1)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000648212107 390953843 /nfs/dbraw/zinc/95/38/43/390953843.db2.gz AOJOZUTWABJGCW-SECBINFHSA-N -1 3 279.340 1.720 10 0 CDAEHM Cc1cc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)no1 ZINC000518680731 390894912 /nfs/dbraw/zinc/89/49/12/390894912.db2.gz MBOKWKFTCJPSRE-UHFFFAOYSA-N -1 3 283.287 1.755 10 0 CDAEHM O=c1[n-]nc(SCCC2(O)CC2)n1C[C@H]1CCCO1 ZINC000526946043 391233821 /nfs/dbraw/zinc/23/38/21/391233821.db2.gz KBLQBWUNLCLRPH-SECBINFHSA-N -1 3 285.369 1.170 10 0 CDAEHM Cc1ncc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)s1 ZINC000526960082 391236410 /nfs/dbraw/zinc/23/64/10/391236410.db2.gz JOTUQRYMFJPXLW-SECBINFHSA-N -1 3 278.337 1.700 10 0 CDAEHM CSC1(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)CCC1 ZINC000526960202 391236719 /nfs/dbraw/zinc/23/67/19/391236719.db2.gz NROOJMSRDKEDNY-JTQLQIEISA-N -1 3 281.381 1.907 10 0 CDAEHM CN(C(=O)c1cccc([O-])c1)[C@H]1CCCCNC1=O ZINC000378576122 391282030 /nfs/dbraw/zinc/28/20/30/391282030.db2.gz XVYVSIRKCCGVJS-LBPRGKRZSA-N -1 3 262.309 1.133 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2CC(CC(F)F)C2)cs1 ZINC000425323756 391370607 /nfs/dbraw/zinc/37/06/07/391370607.db2.gz LLSRJBOWXYLYMS-UHFFFAOYSA-N -1 3 275.324 1.724 10 0 CDAEHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)[C@@H]1CC12CCOCC2 ZINC000531372380 391484962 /nfs/dbraw/zinc/48/49/62/391484962.db2.gz FCTZTOOIHKNMJT-LBPRGKRZSA-N -1 3 298.346 1.649 10 0 CDAEHM COc1nnc(NC(=O)C2(Cc3ccccc3F)CC2)[n-]1 ZINC000189087464 391533960 /nfs/dbraw/zinc/53/39/60/391533960.db2.gz QIGRLVQSKIAEKP-UHFFFAOYSA-N -1 3 290.298 1.914 10 0 CDAEHM COc1nc(NC(=O)C2(Cc3ccccc3F)CC2)n[n-]1 ZINC000189087464 391533963 /nfs/dbraw/zinc/53/39/63/391533963.db2.gz QIGRLVQSKIAEKP-UHFFFAOYSA-N -1 3 290.298 1.914 10 0 CDAEHM COc1n[n-]c(NC(=O)C2(Cc3ccccc3F)CC2)n1 ZINC000189087464 391533964 /nfs/dbraw/zinc/53/39/64/391533964.db2.gz QIGRLVQSKIAEKP-UHFFFAOYSA-N -1 3 290.298 1.914 10 0 CDAEHM COCC(C)(C)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000424985811 391638058 /nfs/dbraw/zinc/63/80/58/391638058.db2.gz WPVWQONGSMKTBY-UHFFFAOYSA-N -1 3 292.379 1.575 10 0 CDAEHM C[C@H]1C[C@H](S(=O)(=O)[N-]CC(=O)C(C)(C)C)CCO1 ZINC000451408607 391668117 /nfs/dbraw/zinc/66/81/17/391668117.db2.gz 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CDAEHM CCOc1nnc(NC(=O)C2(OC)CCCCC2)[n-]1 ZINC000692003841 934127875 /nfs/dbraw/zinc/12/78/75/934127875.db2.gz BXCXAAUFXBRSJZ-UHFFFAOYSA-N -1 3 268.317 1.491 10 0 CDAEHM CCOc1nc(NC(=O)C2(OC)CCCCC2)n[n-]1 ZINC000692003841 934127878 /nfs/dbraw/zinc/12/78/78/934127878.db2.gz BXCXAAUFXBRSJZ-UHFFFAOYSA-N -1 3 268.317 1.491 10 0 CDAEHM CCOc1n[n-]c(NC(=O)C2(OC)CCCCC2)n1 ZINC000692003841 934127880 /nfs/dbraw/zinc/12/78/80/934127880.db2.gz BXCXAAUFXBRSJZ-UHFFFAOYSA-N -1 3 268.317 1.491 10 0 CDAEHM COc1ccccc1[C@@H](O)CNC(=O)c1ccccc1[O-] ZINC000041453557 934190011 /nfs/dbraw/zinc/19/00/11/934190011.db2.gz RJAGLGQPNYAPCH-AWEZNQCLSA-N -1 3 287.315 1.864 10 0 CDAEHM CC(C)C1(O)CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000089663454 934806108 /nfs/dbraw/zinc/80/61/08/934806108.db2.gz RDLANENLAXDVEI-UHFFFAOYSA-N -1 3 286.331 1.371 10 0 CDAEHM O=C(COC(=O)CCC(F)F)[N-]C(=O)c1cccs1 ZINC000796023165 934959440 /nfs/dbraw/zinc/95/94/40/934959440.db2.gz AZBMTWTZMIRYMA-UHFFFAOYSA-N -1 3 291.275 1.593 10 0 CDAEHM Cc1cc(C(=O)NCCc2c(C)[n-][nH]c2=O)nn1C(C)C ZINC001362057460 970828965 /nfs/dbraw/zinc/82/89/65/970828965.db2.gz TZAGUAOKANPVDB-LLVKDONJSA-N -1 3 291.355 1.014 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCc1ccccc1F ZINC001362076215 970852449 /nfs/dbraw/zinc/85/24/49/970852449.db2.gz CORYRBUTPVOZQA-LBPRGKRZSA-N -1 3 291.326 1.387 10 0 CDAEHM Cc1c[nH]nc1C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001363010332 971812134 /nfs/dbraw/zinc/81/21/34/971812134.db2.gz ZHKHHOPOIAJTDY-RXMQYKEDSA-N -1 3 288.233 1.346 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNc1ncnc2[nH]c(Cl)cc21 ZINC001364177134 954289468 /nfs/dbraw/zinc/28/94/68/954289468.db2.gz PEPYMIMGGYTNPU-SSDOTTSWSA-N -1 3 292.730 1.535 10 0 CDAEHM CC(C)c1ccc(C(=O)Nn2ccc(=O)[nH]c2=O)c([O-])c1 ZINC001364247534 954380940 /nfs/dbraw/zinc/38/09/40/954380940.db2.gz KRRVJOHBGSAZLQ-UHFFFAOYSA-N -1 3 289.291 1.162 10 0 CDAEHM C[C@H](NC(=O)c1ccccn1)c1nc(C(F)(F)F)n[n-]1 ZINC001364307035 954447873 /nfs/dbraw/zinc/44/78/73/954447873.db2.gz HFCYDBGITRVOLC-LURJTMIESA-N -1 3 285.229 1.710 10 0 CDAEHM CCNc1nc(CN2CC[C@@H](c3nnn[n-]3)C2)cs1 ZINC001364480819 954665986 /nfs/dbraw/zinc/66/59/86/954665986.db2.gz XXHZUCBRYUFVFS-MRVPVSSYSA-N -1 3 279.373 1.078 10 0 CDAEHM CCNc1nc(CN2CC[C@@H](c3nn[n-]n3)C2)cs1 ZINC001364480819 954665991 /nfs/dbraw/zinc/66/59/91/954665991.db2.gz XXHZUCBRYUFVFS-MRVPVSSYSA-N -1 3 279.373 1.078 10 0 CDAEHM CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001364785396 955170114 /nfs/dbraw/zinc/17/01/14/955170114.db2.gz TVFVVTOWXKYXPY-AQUOVQTQSA-N -1 3 291.351 1.347 10 0 CDAEHM CCC(=O)NC1CCN([C@@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC001363332884 972091659 /nfs/dbraw/zinc/09/16/59/972091659.db2.gz RYRYHTJHFYFVEU-NSHDSACASA-N -1 3 292.383 1.542 10 0 CDAEHM COCc1cc(NCc2cc(=O)[n-]c(C3CC3)n2)ncn1 ZINC001365242751 955770901 /nfs/dbraw/zinc/77/09/01/955770901.db2.gz LFHZZDOSPIZXMU-UHFFFAOYSA-N -1 3 287.323 1.608 10 0 CDAEHM CCc1ccc(CN[C@@H](CN(C)C)C(=O)[O-])s1 ZINC001332000545 957392611 /nfs/dbraw/zinc/39/26/11/957392611.db2.gz 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/nfs/dbraw/zinc/27/19/93/965271993.db2.gz CXADWZMVAYFGKW-UHFFFAOYSA-N -1 3 284.275 1.562 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc2c(cccc2C)o1 ZINC001443448787 965469498 /nfs/dbraw/zinc/46/94/98/965469498.db2.gz YBISHSDDPARPSM-LLVKDONJSA-N -1 3 299.330 1.983 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCC1(C)CC1 ZINC001542941931 967254888 /nfs/dbraw/zinc/25/48/88/967254888.db2.gz KFQDJWPFBYFHQU-SNVBAGLBSA-N -1 3 251.330 1.195 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)Cc1ccccc1 ZINC001544584895 967370884 /nfs/dbraw/zinc/37/08/84/967370884.db2.gz MJQINESIBGKIKU-UHFFFAOYSA-N -1 3 259.265 1.378 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)Cc1ccccc1 ZINC001544584895 967370894 /nfs/dbraw/zinc/37/08/94/967370894.db2.gz MJQINESIBGKIKU-UHFFFAOYSA-N -1 3 259.265 1.378 10 0 CDAEHM Cc1nn(C)cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000847518218 967596567 /nfs/dbraw/zinc/59/65/67/967596567.db2.gz NPAHVGWQPCIWLY-UHFFFAOYSA-N -1 3 273.296 1.354 10 0 CDAEHM COc1ccc(C(=O)NCc2ccnc(F)c2)c([O-])c1 ZINC001454336489 968465942 /nfs/dbraw/zinc/46/59/42/968465942.db2.gz MEIYDOUHMAXTCZ-UHFFFAOYSA-N -1 3 276.267 1.865 10 0 CDAEHM COCCC[C@H](C)C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001528798642 968934552 /nfs/dbraw/zinc/93/45/52/968934552.db2.gz LUKOBKDVQRHHJD-NSHDSACASA-N -1 3 295.387 1.044 10 0 CDAEHM COCCC[C@H](C)C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001528798642 968934560 /nfs/dbraw/zinc/93/45/60/968934560.db2.gz LUKOBKDVQRHHJD-NSHDSACASA-N -1 3 295.387 1.044 10 0 CDAEHM Cc1c([C@@H](C)NCc2nc(C)cc(=O)[n-]2)cnn1C ZINC001459904120 969457483 /nfs/dbraw/zinc/45/74/83/969457483.db2.gz FMIQTNJITWAWTE-SECBINFHSA-N -1 3 261.329 1.383 10 0 CDAEHM c1nc(CN2CCC(Cc3nnn[n-]3)CC2)oc1C1CC1 ZINC001460715961 969534990 /nfs/dbraw/zinc/53/49/90/969534990.db2.gz IAYVDTPBRCSIRV-UHFFFAOYSA-N -1 3 288.355 1.520 10 0 CDAEHM c1nc(CN2CCC(Cc3nn[n-]n3)CC2)oc1C1CC1 ZINC001460715961 969534996 /nfs/dbraw/zinc/53/49/96/969534996.db2.gz IAYVDTPBRCSIRV-UHFFFAOYSA-N -1 3 288.355 1.520 10 0 CDAEHM CSCC[C@@H](C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001465282075 969861097 /nfs/dbraw/zinc/86/10/97/969861097.db2.gz MNULNIAHMQESDR-SSDOTTSWSA-N -1 3 282.344 1.968 10 0 CDAEHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001466119243 969925662 /nfs/dbraw/zinc/92/56/62/969925662.db2.gz WQJBTWQCKNJPFE-HTQZYQBOSA-N -1 3 261.256 1.997 10 0 CDAEHM NC(=O)c1ccc(C(=O)[N-]c2cnoc2)nc1Cl ZINC001360958727 970078360 /nfs/dbraw/zinc/07/83/60/970078360.db2.gz JMIVNRBDNNBSEE-UHFFFAOYSA-N -1 3 266.644 1.074 10 0 CDAEHM CC[C@]1(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)CCNC1=O ZINC001468311196 970149804 /nfs/dbraw/zinc/14/98/04/970149804.db2.gz QJWWPTYZCUXGDT-AWEZNQCLSA-N -1 3 288.307 1.123 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001417635860 973221627 /nfs/dbraw/zinc/22/16/27/973221627.db2.gz JUEMZXSWRMBGEZ-REBRKWNGSA-N -1 3 297.358 1.201 10 0 CDAEHM O=C(c1ccc(F)c([O-])c1)N1CC[C@@H](N2CCC2)[C@@H](F)C1 ZINC001417759062 973368191 /nfs/dbraw/zinc/36/81/91/973368191.db2.gz ZVXLUBJSYIZTLO-QWHCGFSZSA-N -1 3 296.317 1.790 10 0 CDAEHM C[C@H](CNC(=O)[C@@H]1C[C@H]1C)N(C)C(=O)c1ccccc1[O-] ZINC001395132139 978343987 /nfs/dbraw/zinc/34/39/87/978343987.db2.gz CDMNJSQXAXQCFH-NQBHXWOUSA-N -1 3 290.363 1.625 10 0 CDAEHM CC1=C(C)C[C@@H](CNCCF)[C@H](S(=O)(=O)[O-])C1 ZINC000675078970 539085778 /nfs/dbraw/zinc/08/57/78/539085778.db2.gz OKBGUYPMNLTKJF-WDEREUQCSA-N -1 3 265.350 1.548 10 0 CDAEHM O=C(NCCC[C@H]1CCCC[C@H]1O)c1cc(=O)[n-]cn1 ZINC000626203843 342535312 /nfs/dbraw/zinc/53/53/12/342535312.db2.gz BFDARCNUNWEKLY-ZYHUDNBSSA-N -1 3 279.340 1.243 10 0 CDAEHM Nc1csc(S(=O)(=O)[N-]Cc2cscn2)c1 ZINC000082625979 178140161 /nfs/dbraw/zinc/14/01/61/178140161.db2.gz DKKMDMMELMPCLF-UHFFFAOYSA-N -1 3 275.380 1.265 10 0 CDAEHM CCO[C@H](CS(=O)(=O)[N-]Cc1cc(C)no1)C1CC1 ZINC000624903391 342021608 /nfs/dbraw/zinc/02/16/08/342021608.db2.gz MQFMZAZUZCCIAB-GFCCVEGCSA-N -1 3 288.369 1.218 10 0 CDAEHM COC(=O)[C@]1(OC)CCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000600292746 342037993 /nfs/dbraw/zinc/03/79/93/342037993.db2.gz HMNWKGRGBMXLLK-HNNXBMFYSA-N -1 3 293.319 1.105 10 0 CDAEHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cn(C(C)C)cn2)o1 ZINC000625237055 342045053 /nfs/dbraw/zinc/04/50/53/342045053.db2.gz IITOHKBFNLEPID-UHFFFAOYSA-N -1 3 298.368 1.547 10 0 CDAEHM CO[C@H](CNC(=O)NCc1ncccc1[O-])C(C)(C)C ZINC000354262429 361800335 /nfs/dbraw/zinc/80/03/35/361800335.db2.gz AZBZLKCITOKZFO-GFCCVEGCSA-N -1 3 281.356 1.648 10 0 CDAEHM CO[C@@](C)(C[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1)C1CC1 ZINC000625224045 342043508 /nfs/dbraw/zinc/04/35/08/342043508.db2.gz MCUQRECCEBXDSG-AAEUAGOBSA-N -1 3 291.413 1.288 10 0 CDAEHM CSc1ccc([O-])c(C(=O)N[C@H]2CCNC(=O)CC2)c1 ZINC000616291084 342593185 /nfs/dbraw/zinc/59/31/85/342593185.db2.gz ZIVIBZQTOSGOJD-SECBINFHSA-N -1 3 294.376 1.513 10 0 CDAEHM COCC(C)(C)NC(=O)c1cccc(OC)c1[O-] ZINC000134448728 342071098 /nfs/dbraw/zinc/07/10/98/342071098.db2.gz VWXLDYRPEVHVRW-UHFFFAOYSA-N -1 3 253.298 1.556 10 0 CDAEHM CCO[N-]C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000173023313 365654063 /nfs/dbraw/zinc/65/40/63/365654063.db2.gz 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CC(C)(C)C[C@H]1CCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000071845481 377093517 /nfs/dbraw/zinc/09/35/17/377093517.db2.gz CDGXBEOFBDMDRA-ZJUUUORDSA-N -1 3 281.356 1.012 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2ccncc2C)o1 ZINC000334657821 377234200 /nfs/dbraw/zinc/23/42/00/377234200.db2.gz LRUFUAPZGQKACC-UHFFFAOYSA-N -1 3 266.322 1.770 10 0 CDAEHM CC(C)(C)OCCS(=O)(=O)[N-]C(C)(C)C(F)F ZINC000632291818 377252719 /nfs/dbraw/zinc/25/27/19/377252719.db2.gz HJJCECBMKSTSOH-UHFFFAOYSA-N -1 3 273.345 1.765 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-]C(C)(C)C2CCC2)cn1C ZINC000334806128 377433090 /nfs/dbraw/zinc/43/30/90/377433090.db2.gz VLNVVAZOBIJCQJ-UHFFFAOYSA-N -1 3 271.386 1.586 10 0 CDAEHM O=c1[nH]cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3C[C@@H]3C2)s1 ZINC000632504548 377540233 /nfs/dbraw/zinc/54/02/33/377540233.db2.gz HMXBBLQMFCPORJ-BWZBUEFSSA-N -1 3 274.367 1.316 10 0 CDAEHM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1conc1C ZINC000632538833 377577244 /nfs/dbraw/zinc/57/72/44/377577244.db2.gz UQCPNOPPGHUXFL-JTQLQIEISA-N -1 3 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/nfs/dbraw/zinc/07/44/37/252074437.db2.gz MIUPZQNGKOXQHA-JOYOIKCWSA-N -1 3 291.269 1.595 10 0 CDAEHM O=c1nc([C@H]2CCCN(CCc3ccccc3F)C2)[nH][n-]1 ZINC000289422975 197340904 /nfs/dbraw/zinc/34/09/04/197340904.db2.gz MXEMZMWKMXJOPC-LBPRGKRZSA-N -1 3 290.342 1.659 10 0 CDAEHM COCCCO[N-]C(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000289090270 197232473 /nfs/dbraw/zinc/23/24/73/197232473.db2.gz OQIYDFDMGAANCE-UHFFFAOYSA-N -1 3 295.339 1.759 10 0 CDAEHM CCN1CCC[C@@H](N=c2[n-]nc(-c3ccon3)s2)C1 ZINC000329329351 285229508 /nfs/dbraw/zinc/22/95/08/285229508.db2.gz VFHRMQVMSDFTMZ-SECBINFHSA-N -1 3 279.369 1.511 10 0 CDAEHM CN1C[C@H]2[C@@H](CCN2C(=O)c2s[n-]c(=O)c2Cl)C1 ZINC000646940172 390301761 /nfs/dbraw/zinc/30/17/61/390301761.db2.gz AIDHRGRRWASYAX-BQBZGAKWSA-N -1 3 287.772 1.278 10 0 CDAEHM CN1C[C@H]2CCN(C(=O)c3ccc([O-])cc3F)[C@@H]2C1 ZINC000646933593 390308928 /nfs/dbraw/zinc/30/89/28/390308928.db2.gz GEWNWLBGMLXULB-NOZJJQNGSA-N -1 3 264.300 1.307 10 0 CDAEHM CC1(OCC(=O)Nc2cccc(Cl)c2[O-])CNC1 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CCc1nc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)co1 ZINC000526960650 391236582 /nfs/dbraw/zinc/23/65/82/391236582.db2.gz DXFMCFGSQVLANC-JTQLQIEISA-N -1 3 276.296 1.486 10 0 CDAEHM Cc1cc(C(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)ccc1[O-] ZINC000416312519 391273011 /nfs/dbraw/zinc/27/30/11/391273011.db2.gz QMHVIOFZTZERPR-STQMWFEESA-N -1 3 292.379 1.228 10 0 CDAEHM CC(C)[C@@H]1C[C@H]1C(=O)Nc1nnc(SCCO)[n-]1 ZINC000185759476 391289388 /nfs/dbraw/zinc/28/93/88/391289388.db2.gz RUVSRWATDRFGAM-JGVFFNPUSA-N -1 3 270.358 1.120 10 0 CDAEHM CC(C)[C@@H]1C[C@H]1C(=O)Nc1nc(SCCO)n[n-]1 ZINC000185759476 391289390 /nfs/dbraw/zinc/28/93/90/391289390.db2.gz RUVSRWATDRFGAM-JGVFFNPUSA-N -1 3 270.358 1.120 10 0 CDAEHM CC(C)[C@@H]1C[C@H]1C(=O)Nc1n[n-]c(SCCO)n1 ZINC000185759476 391289391 /nfs/dbraw/zinc/28/93/91/391289391.db2.gz RUVSRWATDRFGAM-JGVFFNPUSA-N -1 3 270.358 1.120 10 0 CDAEHM Cc1ccc(CCCC(=O)Nc2[n-]nnc2C(N)=O)cc1 ZINC000410857466 391358137 /nfs/dbraw/zinc/35/81/37/391358137.db2.gz IJGIOCUYKSBZSQ-UHFFFAOYSA-N -1 3 287.323 1.173 10 0 CDAEHM Cc1ccc(CCCC(=O)Nc2nn[n-]c2C(N)=O)cc1 ZINC000410857466 391358140 /nfs/dbraw/zinc/35/81/40/391358140.db2.gz IJGIOCUYKSBZSQ-UHFFFAOYSA-N -1 3 287.323 1.173 10 0 CDAEHM Cc1ccc(CCCC(=O)Nc2n[n-]nc2C(N)=O)cc1 ZINC000410857466 391358141 /nfs/dbraw/zinc/35/81/41/391358141.db2.gz IJGIOCUYKSBZSQ-UHFFFAOYSA-N -1 3 287.323 1.173 10 0 CDAEHM CCCc1nnc([N-]C(=O)c2cnn(C)c2OC)s1 ZINC000411259583 391418068 /nfs/dbraw/zinc/41/80/68/391418068.db2.gz BGWAEKGWCOVVEZ-UHFFFAOYSA-N -1 3 281.341 1.485 10 0 CDAEHM O=c1cc(CN2CCO[C@H](C3CC3)C2)nc(C2CC2)[n-]1 ZINC000519630363 391673467 /nfs/dbraw/zinc/67/34/67/391673467.db2.gz MTTPQGJDMDCLNJ-ZDUSSCGKSA-N -1 3 275.352 1.670 10 0 CDAEHM Cc1cccc(C(=O)Nc2cnccc2CO)c1[O-] ZINC000180960711 391826355 /nfs/dbraw/zinc/82/63/55/391826355.db2.gz HTKCIVZJJKLKGN-UHFFFAOYSA-N -1 3 258.277 1.840 10 0 CDAEHM COC1CCC(CNC(=O)c2cccc3nn[n-]c32)CC1 ZINC000526115411 391842961 /nfs/dbraw/zinc/84/29/61/391842961.db2.gz GSCKWJVKYSCJGF-UHFFFAOYSA-N -1 3 288.351 1.893 10 0 CDAEHM COC1CCC(CNC(=O)c2cccc3[n-]nnc32)CC1 ZINC000526115411 391842964 /nfs/dbraw/zinc/84/29/64/391842964.db2.gz GSCKWJVKYSCJGF-UHFFFAOYSA-N -1 3 288.351 1.893 10 0 CDAEHM COC1CCC(CNC(=O)c2cccc3n[n-]nc32)CC1 ZINC000526115411 391842967 /nfs/dbraw/zinc/84/29/67/391842967.db2.gz GSCKWJVKYSCJGF-UHFFFAOYSA-N -1 3 288.351 1.893 10 0 CDAEHM CN(C)c1nc(C(=O)N[C@@H]2CC23CCCC3)cc(=O)[n-]1 ZINC000549759111 391961504 /nfs/dbraw/zinc/96/15/04/391961504.db2.gz RLSNOVZKODCITE-SNVBAGLBSA-N -1 3 276.340 1.311 10 0 CDAEHM C[C@H](C(=O)NCc1ccccc1)N(C)CCCC(=O)[O-] ZINC000430678055 392042597 /nfs/dbraw/zinc/04/25/97/392042597.db2.gz LQLNFOTUPDKPQW-GFCCVEGCSA-N -1 3 278.352 1.488 10 0 CDAEHM CC(C)(O)CO[N-]C(=O)c1cccc2cc(=O)[nH]cc21 ZINC000529191254 392275221 /nfs/dbraw/zinc/27/52/21/392275221.db2.gz YXLLKCFGCAHGCF-UHFFFAOYSA-N -1 3 276.292 1.373 10 0 CDAEHM Cc1cocc1C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000529265746 392294011 /nfs/dbraw/zinc/29/40/11/392294011.db2.gz OZYCKGCVJJPZFK-SNVBAGLBSA-N -1 3 275.312 1.106 10 0 CDAEHM CCCCn1c(=O)[n-]nc1S[C@H]1CCCNC1=O ZINC000488506229 392373808 /nfs/dbraw/zinc/37/38/08/392373808.db2.gz ZDQRJTOVWOTFSO-QMMMGPOBSA-N -1 3 270.358 1.155 10 0 CDAEHM CO[C@@H]1COC[C@@H]1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000458371219 392494398 /nfs/dbraw/zinc/49/43/98/392494398.db2.gz YZKCFGABPFWYHG-DZGCQCFKSA-N -1 3 291.347 1.415 10 0 CDAEHM CCCC[C@](C)(CO)NC(=O)c1cccc2nn[n-]c21 ZINC000649036773 392662968 /nfs/dbraw/zinc/66/29/68/392662968.db2.gz OIWHEYSPAAFTFZ-CQSZACIVSA-N -1 3 276.340 1.629 10 0 CDAEHM CCCC[C@](C)(CO)NC(=O)c1cccc2[n-]nnc21 ZINC000649036773 392662974 /nfs/dbraw/zinc/66/29/74/392662974.db2.gz OIWHEYSPAAFTFZ-CQSZACIVSA-N -1 3 276.340 1.629 10 0 CDAEHM CCCC[C@](C)(CO)NC(=O)c1cccc2n[n-]nc21 ZINC000649036773 392662983 /nfs/dbraw/zinc/66/29/83/392662983.db2.gz OIWHEYSPAAFTFZ-CQSZACIVSA-N -1 3 276.340 1.629 10 0 CDAEHM CN(C(=O)c1cccc2nn[n-]c21)c1nncs1 ZINC000527114499 392720940 /nfs/dbraw/zinc/72/09/40/392720940.db2.gz LUEOOHDHNOVEPO-UHFFFAOYSA-N -1 3 260.282 1.086 10 0 CDAEHM CN(C(=O)c1cccc2[n-]nnc21)c1nncs1 ZINC000527114499 392720942 /nfs/dbraw/zinc/72/09/42/392720942.db2.gz LUEOOHDHNOVEPO-UHFFFAOYSA-N -1 3 260.282 1.086 10 0 CDAEHM CN(C(=O)c1cccc2n[n-]nc21)c1nncs1 ZINC000527114499 392720945 /nfs/dbraw/zinc/72/09/45/392720945.db2.gz LUEOOHDHNOVEPO-UHFFFAOYSA-N -1 3 260.282 1.086 10 0 CDAEHM Cc1cc(C)n(CC(=O)Nc2cccc([O-])c2F)n1 ZINC000129464222 392817872 /nfs/dbraw/zinc/81/78/72/392817872.db2.gz ZJJMPZLQAYSAGK-UHFFFAOYSA-N -1 3 263.272 1.983 10 0 CDAEHM Cc1ccc2[n-]cc(C(=O)N3CN(C)C(=O)[C@@H]3C)c(=O)c2c1 ZINC000649159235 392885832 /nfs/dbraw/zinc/88/58/32/392885832.db2.gz KBQCWHVTUITQJN-JTQLQIEISA-N -1 3 299.330 1.097 10 0 CDAEHM O=S(=O)([N-][C@H]1CCN2CCCC[C@@H]12)c1cscn1 ZINC000517233035 392860054 /nfs/dbraw/zinc/86/00/54/392860054.db2.gz IKGCYFUCBAVPAK-UWVGGRQHSA-N -1 3 287.410 1.048 10 0 CDAEHM COCC(C)(C)CNC(=O)NCc1ncccc1[O-] ZINC000494621646 393045789 /nfs/dbraw/zinc/04/57/89/393045789.db2.gz QPHYQOLECYYZFZ-UHFFFAOYSA-N -1 3 267.329 1.259 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CCCCS1(=O)=O ZINC000649230285 393123044 /nfs/dbraw/zinc/12/30/44/393123044.db2.gz CINWOHVJMYHBQR-JTQLQIEISA-N -1 3 299.396 1.169 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cnc2c(cnn2C)c1 ZINC000649231169 393129112 /nfs/dbraw/zinc/12/91/12/393129112.db2.gz KDIWYRJBLZFRBY-UHFFFAOYSA-N -1 3 298.350 1.797 10 0 CDAEHM Cc1nc(C[N-]S(=O)(=O)CCc2cccs2)no1 ZINC000192022806 393133838 /nfs/dbraw/zinc/13/38/38/393133838.db2.gz BAEHINNQCIHXIL-UHFFFAOYSA-N -1 3 287.366 1.102 10 0 CDAEHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cnccc2C)n1 ZINC000451518941 393316392 /nfs/dbraw/zinc/31/63/92/393316392.db2.gz PWVNIBDVIWSSOE-UHFFFAOYSA-N -1 3 296.352 1.295 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)CCN(CC)CC)C(F)F ZINC000451624164 393370890 /nfs/dbraw/zinc/37/08/90/393370890.db2.gz AEFVPWIYEBHWMY-VIFPVBQESA-N -1 3 272.361 1.291 10 0 CDAEHM Cc1cc(N2CCN(C(=O)c3cccc([O-])c3)CC2)n[nH]1 ZINC000189750539 140123047 /nfs/dbraw/zinc/12/30/47/140123047.db2.gz BZFBDFZSFZOYQY-UHFFFAOYSA-N -1 3 286.335 1.386 10 0 CDAEHM CC(C)C[C@@H](CO)N(C)C(=O)c1cccc([O-])c1 ZINC000274714587 397615131 /nfs/dbraw/zinc/61/51/31/397615131.db2.gz BQGJTCSMYZBZGJ-LBPRGKRZSA-N -1 3 251.326 1.871 10 0 CDAEHM COC1(CS(=O)(=O)[N-]c2ccccc2)CCOCC1 ZINC000650146620 397739942 /nfs/dbraw/zinc/73/99/42/397739942.db2.gz FUGHSWJVXXYXCL-UHFFFAOYSA-N -1 3 285.365 1.624 10 0 CDAEHM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCc1ncccc1[O-] ZINC000352516060 155242447 /nfs/dbraw/zinc/24/24/47/155242447.db2.gz JIZHBGGNEINPBK-VIFPVBQESA-N -1 3 288.351 1.937 10 0 CDAEHM COc1cccc(C(=O)N2C[C@@H]3C[C@H]2CS3)c1[O-] ZINC000335129394 150317386 /nfs/dbraw/zinc/31/73/86/150317386.db2.gz KHCIFJIBEOFAJI-IUCAKERBSA-N -1 3 265.334 1.731 10 0 CDAEHM CCc1oc(C(=O)N2CCc3c(=O)[n-]cnc3C2)cc1C ZINC000335142121 150332401 /nfs/dbraw/zinc/33/24/01/150332401.db2.gz PADRBVOHMCPPEG-UHFFFAOYSA-N -1 3 287.319 1.845 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@H]2O)o1 ZINC000335951163 151143920 /nfs/dbraw/zinc/14/39/20/151143920.db2.gz WVVJRJHWPSGQQL-TZMCWYRMSA-N -1 3 293.344 1.525 10 0 CDAEHM O=C(c1ccc(F)cc1[O-])N1CCN2CCC1CC2 ZINC000336143778 151308066 /nfs/dbraw/zinc/30/80/66/151308066.db2.gz SVFRJULZFJGJQV-UHFFFAOYSA-N -1 3 264.300 1.452 10 0 CDAEHM CN(CCN1CCCC1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000343473455 152194640 /nfs/dbraw/zinc/19/46/40/152194640.db2.gz MGXDVONBMUZAKK-UHFFFAOYSA-N -1 3 299.374 1.696 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2cnc(C)s2)c[n-]1 ZINC000343501919 152204408 /nfs/dbraw/zinc/20/44/08/152204408.db2.gz RHOULRSVONUIAL-UHFFFAOYSA-N -1 3 265.294 1.819 10 0 CDAEHM COCCC(C)(C)CNC(=O)NCc1ncccc1[O-] ZINC000349955822 154286912 /nfs/dbraw/zinc/28/69/12/154286912.db2.gz TVZBIHPNVICKRN-UHFFFAOYSA-N -1 3 281.356 1.649 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(C)c(F)c2)c1 ZINC000353265713 155750979 /nfs/dbraw/zinc/75/09/79/155750979.db2.gz APFXJXARBPCKFC-UHFFFAOYSA-N -1 3 297.355 1.829 10 0 CDAEHM C[C@]1(CCN=c2ncnc3[nH][n-]cc2-3)CC1(F)F ZINC000656473098 413316466 /nfs/dbraw/zinc/31/64/66/413316466.db2.gz HNSSQLIAQLGXQU-JTQLQIEISA-N -1 3 253.256 1.574 10 0 CDAEHM COCc1nc(S[C@H](C(=O)N(C)C)C(C)C)n[n-]1 ZINC000353820869 156105046 /nfs/dbraw/zinc/10/50/46/156105046.db2.gz CDTFXGCEZLBGPK-VIFPVBQESA-N -1 3 272.374 1.156 10 0 CDAEHM O=C(NCCCCF)NCc1nnc(C(F)(F)F)[n-]1 ZINC000362058690 159054411 /nfs/dbraw/zinc/05/44/11/159054411.db2.gz BXSLAPKGDVBORB-UHFFFAOYSA-N -1 3 283.229 1.372 10 0 CDAEHM O=C(NCCCCF)NCc1n[n-]c(C(F)(F)F)n1 ZINC000362058690 159054412 /nfs/dbraw/zinc/05/44/12/159054412.db2.gz BXSLAPKGDVBORB-UHFFFAOYSA-N -1 3 283.229 1.372 10 0 CDAEHM O=C(NCCCCF)NCc1nc(C(F)(F)F)n[n-]1 ZINC000362058690 159054413 /nfs/dbraw/zinc/05/44/13/159054413.db2.gz BXSLAPKGDVBORB-UHFFFAOYSA-N -1 3 283.229 1.372 10 0 CDAEHM CC[C@@H]1CCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000407993034 160677825 /nfs/dbraw/zinc/67/78/25/160677825.db2.gz WFIWTFOYMCHYJM-SECBINFHSA-N -1 3 264.329 1.120 10 0 CDAEHM CCCCc1nc2c(nnn2Cc2ccccc2)c(=O)[n-]1 ZINC000013564353 170562704 /nfs/dbraw/zinc/56/27/04/170562704.db2.gz UZAPSJUINBQBAP-UHFFFAOYSA-N -1 3 283.335 1.906 10 0 CDAEHM C[C@@H](C(=O)[O-])N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000034684020 171863195 /nfs/dbraw/zinc/86/31/95/171863195.db2.gz ZHGUZIZHEZMTJK-NSHDSACASA-N -1 3 292.335 1.006 10 0 CDAEHM Cc1ccc(NC(=O)CNCCC(=O)[O-])cc1Cl ZINC000035386679 172168526 /nfs/dbraw/zinc/16/85/26/172168526.db2.gz UTIOZLLIETUKNI-UHFFFAOYSA-N -1 3 270.716 1.651 10 0 CDAEHM CCCc1ccc(NC(=O)CNCCC(=O)[O-])cc1 ZINC000035386429 172168614 /nfs/dbraw/zinc/16/86/14/172168614.db2.gz FRXCIGRDBXFPAQ-UHFFFAOYSA-N -1 3 264.325 1.642 10 0 CDAEHM CC(C)(C)N1CC[C@H]1C[N-]S(=O)(=O)c1cscn1 ZINC000657033797 413855078 /nfs/dbraw/zinc/85/50/78/413855078.db2.gz HNDJAGCJLTUAPT-VIFPVBQESA-N -1 3 289.426 1.294 10 0 CDAEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)C1 ZINC000657106688 413936437 /nfs/dbraw/zinc/93/64/37/413936437.db2.gz RAMPDYWUXBHSCH-MGCOHNPYSA-N -1 3 287.385 1.379 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-][C@H]2C[C@@H](C)n3ncnc32)c1 ZINC000657068040 413890329 /nfs/dbraw/zinc/89/03/29/413890329.db2.gz ZFMCTMGDJXVMFZ-BDAKNGLRSA-N -1 3 298.393 1.632 10 0 CDAEHM CC(C)(C)C(C)(C)NC(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000659630969 414043254 /nfs/dbraw/zinc/04/32/54/414043254.db2.gz XUMVZVULZWYOSX-UHFFFAOYSA-N -1 3 295.387 1.265 10 0 CDAEHM COc1cc(C[N-]S(=O)(=O)c2cc(C)ccc2C)on1 ZINC000660010614 414355935 /nfs/dbraw/zinc/35/59/35/414355935.db2.gz OQUITOARZOJSBI-UHFFFAOYSA-N -1 3 296.348 1.779 10 0 CDAEHM CCN(CCC(=O)[O-])CC(=O)NCCCc1ccccc1 ZINC000038024452 174006756 /nfs/dbraw/zinc/00/67/56/174006756.db2.gz WHMGMSNEAKOSKG-UHFFFAOYSA-N -1 3 292.379 1.532 10 0 CDAEHM CCCCCNC(=O)[C@@H](C)N(CC)CCC(=O)[O-] ZINC000038025084 174009398 /nfs/dbraw/zinc/00/93/98/174009398.db2.gz VHUNDIXFMLPLRP-LLVKDONJSA-N -1 3 258.362 1.478 10 0 CDAEHM CC(C)NCC(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000040471604 174279969 /nfs/dbraw/zinc/27/99/69/174279969.db2.gz NNTHNLOOUXPAIS-UHFFFAOYSA-N -1 3 270.716 1.975 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000040472733 174280529 /nfs/dbraw/zinc/28/05/29/174280529.db2.gz IUYKCUOGMAURKX-CPCISQLKSA-N -1 3 266.297 1.402 10 0 CDAEHM CC(C)[C@H](N)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000040473765 174281714 /nfs/dbraw/zinc/28/17/14/174281714.db2.gz RGNPLAHRYVDISY-JTQLQIEISA-N -1 3 254.261 1.446 10 0 CDAEHM CC(C)(C)[C@H](N)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000040480894 174284820 /nfs/dbraw/zinc/28/48/20/174284820.db2.gz APLRNDAOJFCQPO-GFCCVEGCSA-N -1 3 276.336 1.647 10 0 CDAEHM C[C@@H](N)C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000040481160 174285524 /nfs/dbraw/zinc/28/55/24/174285524.db2.gz NSHZYSOSFASUPK-SCSAIBSYSA-N -1 3 277.107 1.977 10 0 CDAEHM C[C@H](N)C(=O)N(CCCC(=O)[O-])c1ccccc1 ZINC000040484191 174287623 /nfs/dbraw/zinc/28/76/23/174287623.db2.gz GTKYTIFNUPHMPV-JTQLQIEISA-N -1 3 250.298 1.232 10 0 CDAEHM CCC[C@@H](N)C(=O)N(CC(=O)[O-])c1ccc(Cl)cc1 ZINC000040484752 174288193 /nfs/dbraw/zinc/28/81/93/174288193.db2.gz ZFBWTJSSOVSSHV-LLVKDONJSA-N -1 3 284.743 1.885 10 0 CDAEHM N[C@@H](Cc1ccccc1)C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000040485611 174288532 /nfs/dbraw/zinc/28/85/32/174288532.db2.gz CAOAYNFDGRFRHE-AWEZNQCLSA-N -1 3 290.363 1.412 10 0 CDAEHM O=C([O-])CCCCCCNC(=O)N[C@H]1CN2CCC1CC2 ZINC000040551266 174328023 /nfs/dbraw/zinc/32/80/23/174328023.db2.gz CIQJKTBGYOHCMU-ZDUSSCGKSA-N -1 3 297.399 1.415 10 0 CDAEHM CSCC[C@H](N)C(=O)N[C@@]1(C(=O)[O-])CCC[C@@H](C)C1 ZINC000041036774 174459604 /nfs/dbraw/zinc/45/96/04/174459604.db2.gz MMDJOUBJZDXUCS-NRUUGDAUSA-N -1 3 288.413 1.217 10 0 CDAEHM Nc1csc(S(=O)(=O)[N-]Cc2ccc(F)cc2)c1 ZINC000041067682 174468680 /nfs/dbraw/zinc/46/86/80/174468680.db2.gz CRFTVBBOJRXAEH-UHFFFAOYSA-N -1 3 286.353 1.948 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2CCO[C@]3(CCCOC3)C2)c1 ZINC000286190008 196521143 /nfs/dbraw/zinc/52/11/43/196521143.db2.gz CYNVDSLIGWZESG-MRXNPFEDSA-N -1 3 291.347 1.722 10 0 CDAEHM CCN(C[C@@H](C)C(N)=S)C(=O)c1cc(OC)ccc1[O-] ZINC000043327850 175009334 /nfs/dbraw/zinc/00/93/34/175009334.db2.gz KDYVVBTVYHRCFO-SECBINFHSA-N -1 3 296.392 1.785 10 0 CDAEHM CC[C@@H](C)N[C@@H](C(N)=O)c1ccc([O-])c(Cl)c1 ZINC000043489283 175056765 /nfs/dbraw/zinc/05/67/65/175056765.db2.gz SACZIBONKCQOGG-RDDDGLTNSA-N -1 3 256.733 1.960 10 0 CDAEHM C[C@@H](C(=O)N1CCC[C@H](C(=O)[O-])C1)N1[C@@H](C)CC[C@@H]1C ZINC000043559510 175065473 /nfs/dbraw/zinc/06/54/73/175065473.db2.gz DVNLDXLOHIIGAT-CYDGBPFRSA-N -1 3 282.384 1.571 10 0 CDAEHM CCOC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000044415576 175172687 /nfs/dbraw/zinc/17/26/87/175172687.db2.gz KXCIGLKREXWQBG-LBPRGKRZSA-N -1 3 293.319 1.569 10 0 CDAEHM O=S(=O)([N-]C[C@H]1CCCCN1)c1c(F)cccc1F ZINC000044492517 175180897 /nfs/dbraw/zinc/18/08/97/175180897.db2.gz QBWQCWXZNLDWMP-SECBINFHSA-N -1 3 290.335 1.385 10 0 CDAEHM CN1CCCC[C@@H]1CNc1nc2ccccn2c1C(=O)[O-] ZINC000044565139 175208604 /nfs/dbraw/zinc/20/86/04/175208604.db2.gz QDTOQEIYNXSFNM-LLVKDONJSA-N -1 3 288.351 1.929 10 0 CDAEHM CC[C@H](C(=O)[O-])N(C)C(=O)N[C@@H](CN(C)C)C(C)C ZINC000044646067 175222915 /nfs/dbraw/zinc/22/29/15/175222915.db2.gz BCHXNYUNCNTVPY-WDEREUQCSA-N -1 3 273.377 1.077 10 0 CDAEHM CCCNCC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000044647667 175223243 /nfs/dbraw/zinc/22/32/43/175223243.db2.gz NOIPFILWGUEYQE-UHFFFAOYSA-N -1 3 272.251 1.601 10 0 CDAEHM CCNCC(=O)Nc1cc(OC)c(C(=O)[O-])cc1Cl ZINC000044651051 175224976 /nfs/dbraw/zinc/22/49/76/175224976.db2.gz JPINTJNYJGOOOK-UHFFFAOYSA-N -1 3 286.715 1.595 10 0 CDAEHM C[C@@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nn[n-]n1 ZINC000044926814 175277723 /nfs/dbraw/zinc/27/77/23/175277723.db2.gz FQFBTVYHUNMZEU-NXEZZACHSA-N -1 3 296.375 1.250 10 0 CDAEHM C[C@@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nnn[n-]1 ZINC000044926814 175277724 /nfs/dbraw/zinc/27/77/24/175277724.db2.gz FQFBTVYHUNMZEU-NXEZZACHSA-N -1 3 296.375 1.250 10 0 CDAEHM CC(C)c1nnc(SCC(=O)[O-])n1C[C@@H](C)N(C)C ZINC000045108508 175308903 /nfs/dbraw/zinc/30/89/03/175308903.db2.gz FKUONZNAJZAULJ-SECBINFHSA-N -1 3 286.401 1.528 10 0 CDAEHM C[C@H](CNC(=O)NC1(C(=O)[O-])CCCCCC1)N(C)C 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784611095 /nfs/dbraw/zinc/61/10/95/784611095.db2.gz SWKYJQAJCXKRTJ-UHFFFAOYSA-N -1 3 299.396 1.945 10 0 CDAEHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@@H]1CCNC(=O)CC1 ZINC000854581363 784815489 /nfs/dbraw/zinc/81/54/89/784815489.db2.gz HVJQKGJADMZHQX-QMMMGPOBSA-N -1 3 288.307 1.123 10 0 CDAEHM CC1(C)CC[C@H](C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)O1 ZINC000880514143 784822039 /nfs/dbraw/zinc/82/20/39/784822039.db2.gz QBDXNUUVNDOFMS-MRVPVSSYSA-N -1 3 283.353 1.045 10 0 CDAEHM COC(=O)Nc1ccc(C(=O)OCCC[C@H](C)O)cc1[O-] ZINC000795532818 784857033 /nfs/dbraw/zinc/85/70/33/784857033.db2.gz HQYUSCWIYUAKAE-VIFPVBQESA-N -1 3 297.307 1.888 10 0 CDAEHM Cc1nc(C)c(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)[nH]1 ZINC000930307329 784869023 /nfs/dbraw/zinc/86/90/23/784869023.db2.gz OARHFMYOGQPEAF-SNVBAGLBSA-N -1 3 277.328 1.495 10 0 CDAEHM CCCN(CC(=O)NC)C[C@H](C)C(=O)c1ccc([O-])cc1 ZINC000929320024 784940285 /nfs/dbraw/zinc/94/02/85/784940285.db2.gz ODKLLVFCRBWFPO-LBPRGKRZSA-N -1 3 292.379 1.669 10 0 CDAEHM 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1.786 10 0 CDAEHM COc1nnc(NC(=O)c2nc[n-]c2C(F)(F)F)s1 ZINC000870179911 786490157 /nfs/dbraw/zinc/49/01/57/786490157.db2.gz LVTWXLZQKOBARD-UHFFFAOYSA-N -1 3 293.230 1.541 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C(C)C)C2)nn1 ZINC000867053095 786495192 /nfs/dbraw/zinc/49/51/92/786495192.db2.gz YUSPZBVSKFUIDF-VXGBXAGGSA-N -1 3 299.396 1.267 10 0 CDAEHM CCC(F)(F)C[N-]S(=O)(=O)c1cnc(Cl)n1C ZINC000859323094 786741742 /nfs/dbraw/zinc/74/17/42/786741742.db2.gz SGBKBMLVFBIAAQ-UHFFFAOYSA-N -1 3 287.719 1.397 10 0 CDAEHM COC(OC)[C@H](C)NC(=O)c1cc(SC)ccc1[O-] ZINC000854464275 786804490 /nfs/dbraw/zinc/80/44/90/786804490.db2.gz KNDFNHNKIICJDN-QMMMGPOBSA-N -1 3 285.365 1.851 10 0 CDAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H]1CC12CC2 ZINC000824505013 786856897 /nfs/dbraw/zinc/85/68/97/786856897.db2.gz CCUJIVWFKZFRLG-RXMQYKEDSA-N -1 3 275.234 1.175 10 0 CDAEHM CCN1CCC[C@H]1CN(C)C(=O)c1cc(C(=O)[O-])co1 ZINC000228149585 786983150 /nfs/dbraw/zinc/98/31/50/786983150.db2.gz KAAQLUITWIKPSS-NSHDSACASA-N 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/nfs/dbraw/zinc/80/54/93/787805493.db2.gz HHYYEKYVSIYMPX-NSHDSACASA-N -1 3 275.283 1.532 10 0 CDAEHM Cc1nn(C)c(Cl)c1CN1CCC[C@]1(C)C(=O)[O-] ZINC000079490723 787835283 /nfs/dbraw/zinc/83/52/83/787835283.db2.gz YPSZCDKCKAIMTH-GFCCVEGCSA-N -1 3 271.748 1.821 10 0 CDAEHM COCCN(Cc1nc(C)cc(=O)[n-]1)C1CCOCC1 ZINC000879710094 787838078 /nfs/dbraw/zinc/83/80/78/787838078.db2.gz PMVWRUDXQYLXIP-UHFFFAOYSA-N -1 3 281.356 1.118 10 0 CDAEHM CC[C@H](C(=O)[N-]S(=O)(=O)C1(CC)CC1)N(CC)CC ZINC000835533058 787840571 /nfs/dbraw/zinc/84/05/71/787840571.db2.gz DBRZNYYIUBSFMB-LLVKDONJSA-N -1 3 290.429 1.495 10 0 CDAEHM COCCCO[N-]C(=O)/C(C)=C/c1ccccn1 ZINC000848069463 787855345 /nfs/dbraw/zinc/85/53/45/787855345.db2.gz UQXZFIZPJKCUPT-ZHACJKMWSA-N -1 3 250.298 1.569 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)C2CCCCC2)nn1 ZINC000866834555 787875519 /nfs/dbraw/zinc/87/55/19/787875519.db2.gz NFLGIUSRDWHSOA-GFCCVEGCSA-N -1 3 299.396 1.005 10 0 CDAEHM C[C@@H](C(=O)[N-]NC(=O)c1ccoc1)C(F)(F)F ZINC000079814265 787893204 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288.233 1.048 10 0 CDAEHM O=C(OCCO[C@@H]1CC1(F)F)c1cncc([O-])c1 ZINC001327116127 954715790 /nfs/dbraw/zinc/71/57/90/954715790.db2.gz QBQXYYBGURXNRK-SECBINFHSA-N -1 3 259.208 1.368 10 0 CDAEHM N[C@H](C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)C1CCCCC1 ZINC001327398819 954864580 /nfs/dbraw/zinc/86/45/80/954864580.db2.gz KKBNDFHGGXYALS-TUAOUCFPSA-N -1 3 268.357 1.264 10 0 CDAEHM CCC[C@@H](OC)C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001363288243 972056317 /nfs/dbraw/zinc/05/63/17/972056317.db2.gz IXDXOKSZSFJWBA-GFCCVEGCSA-N -1 3 291.351 1.717 10 0 CDAEHM Cc1nc[nH]c1C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001365029257 955520247 /nfs/dbraw/zinc/52/02/47/955520247.db2.gz WJGFJKATBCMUHH-YFKPBYRVSA-N -1 3 288.233 1.346 10 0 CDAEHM C[C@@H]1CCN(Cc2nc3c(c(=O)[n-]2)COCC3)C[C@H](C)O1 ZINC001365316097 955884968 /nfs/dbraw/zinc/88/49/68/955884968.db2.gz JFNVSJACKJKRMW-MNOVXSKESA-N -1 3 293.367 1.254 10 0 CDAEHM CCCSC[C@@H](NCc1cn(C)nc1Cl)C(=O)[O-] ZINC001331035657 956779283 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413426853 /nfs/dbraw/zinc/42/68/53/413426853.db2.gz PLRGRPNFLNPLSN-UHFFFAOYSA-N -1 3 271.320 1.817 10 0 CDAEHM O=C([O-])[C@@H](NCc1cnn2c1CCC2)c1ccccc1 ZINC000656565961 413427570 /nfs/dbraw/zinc/42/75/70/413427570.db2.gz YYZHMVBHZWSPAD-AWEZNQCLSA-N -1 3 271.320 1.745 10 0 CDAEHM CCN1CCC[C@H]1Cn1ccnc1SCC(=O)[O-] ZINC000020582303 171257528 /nfs/dbraw/zinc/25/75/28/171257528.db2.gz WVPASBANVKDADZ-JTQLQIEISA-N -1 3 269.370 1.544 10 0 CDAEHM CCO[N-]C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000284755237 196125116 /nfs/dbraw/zinc/12/51/16/196125116.db2.gz DKSRNKZBDOUMAM-UHFFFAOYSA-N -1 3 267.260 1.185 10 0 CDAEHM NC(=O)c1ccccc1CN1CCC[C@@H](C(=O)[O-])C1 ZINC000035296612 172108886 /nfs/dbraw/zinc/10/88/86/172108886.db2.gz PFKFPKFLMQVTLB-LLVKDONJSA-N -1 3 262.309 1.082 10 0 CDAEHM CCN(C(=O)CNCCC(=O)[O-])C1=CCCCC1 ZINC000035386490 172168586 /nfs/dbraw/zinc/16/85/86/172168586.db2.gz JSODPSLFFLAXAB-UHFFFAOYSA-N -1 3 254.330 1.357 10 0 CDAEHM Cc1ccc(NC(=O)CNCCCC(=O)[O-])c(C)c1 ZINC000035422640 172191245 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CC[C@@H](C)N(CC(=O)[O-])C(=O)N[C@@H](CN(C)C)C(C)C ZINC000049230730 522075173 /nfs/dbraw/zinc/07/51/73/522075173.db2.gz LPSGOOWWVBHQOI-NEPJUHHUSA-N -1 3 287.404 1.467 10 0 CDAEHM CN(C)c1ccc(NC(=O)c2nnc(N)[n-]2)cc1Cl ZINC000055166871 522235165 /nfs/dbraw/zinc/23/51/65/522235165.db2.gz GYSZWJMRDCWTPV-UHFFFAOYSA-N -1 3 280.719 1.359 10 0 CDAEHM CN(C)c1ccc(NC(=O)c2nc(N)n[n-]2)cc1Cl ZINC000055166871 522235173 /nfs/dbraw/zinc/23/51/73/522235173.db2.gz GYSZWJMRDCWTPV-UHFFFAOYSA-N -1 3 280.719 1.359 10 0 CDAEHM CN(C)c1ccc(NC(=O)c2n[n-]c(N)n2)cc1Cl ZINC000055166871 522235178 /nfs/dbraw/zinc/23/51/78/522235178.db2.gz GYSZWJMRDCWTPV-UHFFFAOYSA-N -1 3 280.719 1.359 10 0 CDAEHM COCCCn1c(=O)[n-]nc1SCCn1cc(C)cn1 ZINC000340667327 523499617 /nfs/dbraw/zinc/49/96/17/523499617.db2.gz XPEMVDHVYGNAGY-UHFFFAOYSA-N -1 3 297.384 1.317 10 0 CDAEHM COCCN(C)CCNc1cnc(C(C)C)nc1C(=O)[O-] ZINC000061399585 523617616 /nfs/dbraw/zinc/61/76/16/523617616.db2.gz AWTDRMSXSWOBBE-UHFFFAOYSA-N -1 3 296.371 1.288 10 0 CDAEHM CN1CCC[C@@H](Nc2nc3c(cc2C(=O)[O-])CCC3)C1 ZINC000054529387 523818186 /nfs/dbraw/zinc/81/81/86/523818186.db2.gz OMEQLLKQGDMMCC-LLVKDONJSA-N -1 3 275.352 1.775 10 0 CDAEHM CC[C@H](C)N(CC(=O)[O-])C(=O)N[C@@H](C)CN1CCCCC1 ZINC000049502806 523928808 /nfs/dbraw/zinc/92/88/08/523928808.db2.gz JAEOZKZVGIMDJR-STQMWFEESA-N -1 3 299.415 1.756 10 0 CDAEHM CN1C[C@@H](C(=O)Nc2ncccc2[O-])[C@H](C(F)(F)F)C1 ZINC000299745640 524007312 /nfs/dbraw/zinc/00/73/12/524007312.db2.gz RNXXFHRQPFTAKA-HTQZYQBOSA-N -1 3 289.257 1.466 10 0 CDAEHM COc1nnc(NC(=O)C[C@@H](O)c2ccc(Cl)cc2)[n-]1 ZINC000183011953 524984496 /nfs/dbraw/zinc/98/44/96/524984496.db2.gz NOIGZSNBHCMRGX-SECBINFHSA-N -1 3 296.714 1.529 10 0 CDAEHM COc1nc(NC(=O)C[C@@H](O)c2ccc(Cl)cc2)n[n-]1 ZINC000183011953 524984505 /nfs/dbraw/zinc/98/45/05/524984505.db2.gz NOIGZSNBHCMRGX-SECBINFHSA-N -1 3 296.714 1.529 10 0 CDAEHM COc1n[n-]c(NC(=O)C[C@@H](O)c2ccc(Cl)cc2)n1 ZINC000183011953 524984516 /nfs/dbraw/zinc/98/45/16/524984516.db2.gz 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10 0 CDAEHM C[C@H](NC(=O)c1cn[n-]n1)[C@H](C)NC(=O)C1CCCCC1 ZINC001449606050 967511135 /nfs/dbraw/zinc/51/11/35/967511135.db2.gz YKSDGGMTUAXAKQ-UWVGGRQHSA-N -1 3 293.371 1.008 10 0 CDAEHM O=C(NCCCc1cc(=O)[nH][n-]1)c1onc2ccccc21 ZINC001450664819 967766479 /nfs/dbraw/zinc/76/64/79/967766479.db2.gz JCFLXHDYQPWSJJ-UHFFFAOYSA-N -1 3 286.291 1.214 10 0 CDAEHM Cc1cc(O)ccc1CC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC001528417228 968847592 /nfs/dbraw/zinc/84/75/92/968847592.db2.gz KDPUVODTNPZRNG-UHFFFAOYSA-N -1 3 289.335 1.015 10 0 CDAEHM O=C(NC/C=C/CNC(=O)c1ccccc1[O-])c1cc[nH]c1 ZINC001533381375 969426216 /nfs/dbraw/zinc/42/62/16/969426216.db2.gz HRAPLRPLZVHAMT-ONEGZZNKSA-N -1 3 299.330 1.436 10 0 CDAEHM O=C([N-]c1cnoc1)c1ccc(Cn2ccnn2)o1 ZINC001536805092 969632835 /nfs/dbraw/zinc/63/28/35/969632835.db2.gz TVVVMOYJZPBZOX-UHFFFAOYSA-N -1 3 259.225 1.160 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CC12CCSCC2 ZINC001464884195 969828808 /nfs/dbraw/zinc/82/88/08/969828808.db2.gz RIOKDHLROXAAGE-QWRGUYRKSA-N -1 3 295.408 1.148 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](F)c1ccccc1 ZINC001464883435 969828920 /nfs/dbraw/zinc/82/89/20/969828920.db2.gz LZOHTVVXMWHNCS-NWDGAFQWSA-N -1 3 277.299 1.325 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1CC2(CC2(F)F)C1 ZINC001464881140 969829854 /nfs/dbraw/zinc/82/98/54/969829854.db2.gz AOMWLDQRLASWKA-NBBOBHDQSA-N -1 3 285.294 1.050 10 0 CDAEHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCCn2ncnc21 ZINC001466118875 969925500 /nfs/dbraw/zinc/92/55/00/969925500.db2.gz QNUXSELWFNJGCQ-MRVPVSSYSA-N -1 3 276.271 1.639 10 0 CDAEHM O=C(Nc1ncccc1[O-])[C@H]1Cc2cccnc2C1 ZINC001466805690 970001591 /nfs/dbraw/zinc/00/15/91/970001591.db2.gz RKXIOWHRABONFU-JTQLQIEISA-N -1 3 255.277 1.536 10 0 CDAEHM CCOc1nnc(NC(=O)c2cc(Cl)cc(C)c2N)[n-]1 ZINC001471300473 970409350 /nfs/dbraw/zinc/40/93/50/970409350.db2.gz KRBATOHMOCFOPX-UHFFFAOYSA-N -1 3 295.730 2.000 10 0 CDAEHM CCOc1nc(NC(=O)c2cc(Cl)cc(C)c2N)n[n-]1 ZINC001471300473 970409353 /nfs/dbraw/zinc/40/93/53/970409353.db2.gz KRBATOHMOCFOPX-UHFFFAOYSA-N -1 3 295.730 2.000 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2cc(Cl)cc(C)c2N)n1 ZINC001471300473 970409355 /nfs/dbraw/zinc/40/93/55/970409355.db2.gz KRBATOHMOCFOPX-UHFFFAOYSA-N -1 3 295.730 2.000 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1nc(C2CC2)cs1 ZINC001361771883 970514354 /nfs/dbraw/zinc/51/43/54/970514354.db2.gz OUFKBZYPVSMIBS-SECBINFHSA-N -1 3 292.364 1.262 10 0 CDAEHM C[C@@]1(CNC(=O)c2cc(F)cc3n[n-]nc32)CCCCO1 ZINC001472176092 970595382 /nfs/dbraw/zinc/59/53/82/970595382.db2.gz QTRWCYFTJIBDBR-AWEZNQCLSA-N -1 3 292.314 1.786 10 0 CDAEHM CC(C)Oc1cnccc1NC(=O)c1cccc2n[n-]nc21 ZINC001472290177 970617909 /nfs/dbraw/zinc/61/79/09/970617909.db2.gz CUPSPFIOAISOCW-UHFFFAOYSA-N -1 3 297.318 1.814 10 0 CDAEHM CC[C@@H](F)CN(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001496691980 973048445 /nfs/dbraw/zinc/04/84/45/973048445.db2.gz XORHALMBNRTZFH-LLVKDONJSA-N -1 3 283.347 1.539 10 0 CDAEHM O=C(NCC1(c2cccc(F)c2)CC1)c1cnncc1[O-] ZINC001417648943 973236724 /nfs/dbraw/zinc/23/67/24/973236724.db2.gz PGYDJEWEXIKRQQ-UHFFFAOYSA-N -1 3 287.294 1.783 10 0 CDAEHM CC[C@H](F)CNCc1cc(=O)[n-]c(CNC(=O)C(C)C)n1 ZINC001388763720 975583285 /nfs/dbraw/zinc/58/32/85/975583285.db2.gz CYPDYJZNFCTBGP-JTQLQIEISA-N -1 3 298.362 1.292 10 0 CDAEHM C[C@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1ccccc1[O-] ZINC001397532391 975616523 /nfs/dbraw/zinc/61/65/23/975616523.db2.gz JQZJIQVFVGWTAU-CKYFFXLPSA-N -1 3 276.336 1.283 10 0 CDAEHM CC[C@H](C)C(=O)N(C)C1CN(C(=O)c2ccccc2[O-])C1 ZINC001390019607 976086887 /nfs/dbraw/zinc/08/68/87/976086887.db2.gz KWJRKGHYQBROCY-NSHDSACASA-N -1 3 290.363 1.721 10 0 CDAEHM CC[C@H](F)CNC1(CNC(=O)c2[nH]nc(C)c2[O-])CCC1 ZINC001402550566 976356496 /nfs/dbraw/zinc/35/64/96/976356496.db2.gz MUACTLILLYCNCJ-JTQLQIEISA-N -1 3 298.362 1.414 10 0 CDAEHM CCC[C@H](C)CC(=O)N[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001385993836 977850329 /nfs/dbraw/zinc/85/03/29/977850329.db2.gz GOOGDUBONRHUFQ-GARJFASQSA-N -1 3 293.371 1.008 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N(C)CC(=O)NC(C)(C)C)n1 ZINC000192535493 342468129 /nfs/dbraw/zinc/46/81/29/342468129.db2.gz VCXHVPYXQFDHEW-SNVBAGLBSA-N -1 3 280.372 1.398 10 0 CDAEHM O=C(NCCO[C@@H]1CC1(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000618134967 342476184 /nfs/dbraw/zinc/47/61/84/342476184.db2.gz AAWKQULRUAZMFE-SECBINFHSA-N -1 3 299.277 1.214 10 0 CDAEHM Cc1nn(C)cc1S(=O)(=O)[N-]CC[C@H]1CC1(F)F ZINC000621304732 341987654 /nfs/dbraw/zinc/98/76/54/341987654.db2.gz HAYJQSTUONGDBG-QMMMGPOBSA-N -1 3 279.312 1.052 10 0 CDAEHM Cc1ncc(C(=O)Nc2ccc(C)c(C)c2)c(=O)[n-]1 ZINC000082322848 177964419 /nfs/dbraw/zinc/96/44/19/177964419.db2.gz ZGAPJXQBSZKFBU-UHFFFAOYSA-N -1 3 257.293 1.947 10 0 CDAEHM CC(=O)C1([N-]S(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)CC1 ZINC000641532194 365535795 /nfs/dbraw/zinc/53/57/95/365535795.db2.gz HTBUBKJFZRVSCJ-MRVPVSSYSA-N -1 3 281.324 1.319 10 0 CDAEHM CC(C)(C)OC(=O)N1CCCNC[C@]1(C)C(=O)[O-] ZINC000095930094 185031825 /nfs/dbraw/zinc/03/18/25/185031825.db2.gz OEYZRFVADVDDDT-GFCCVEGCSA-N -1 3 258.318 1.060 10 0 CDAEHM COC(=O)[C@@H]1O[C@@H](C(=O)Nc2ccc([O-])cc2F)C[C@H]1C ZINC000601415105 342560944 /nfs/dbraw/zinc/56/09/44/342560944.db2.gz BXXWETZTOHBJCR-NZXMKCKXSA-N -1 3 297.282 1.436 10 0 CDAEHM O=C1[N-]C(=O)[C@@]2(CCc3c2cccc3Br)N1 ZINC000232482365 342019221 /nfs/dbraw/zinc/01/92/21/342019221.db2.gz LPGNGWPAMGDETE-NSHDSACASA-N -1 3 281.109 1.430 10 0 CDAEHM COC[C@](C)(CCO)NCc1cc([O-])ccc1Cl ZINC000625224742 342043654 /nfs/dbraw/zinc/04/36/54/342043654.db2.gz NQZNBHHMAZYTIA-ZDUSSCGKSA-N -1 3 273.760 1.923 10 0 CDAEHM Cc1cnc(C(=O)NC[C@@H]2CCN2C(C)(C)C)c([O-])c1 ZINC000617009781 342605912 /nfs/dbraw/zinc/60/59/12/342605912.db2.gz FTMYZJVBAOCRPC-NSHDSACASA-N -1 3 277.368 1.698 10 0 CDAEHM CC(C)n1cnc(NC(=O)Cc2cncc([O-])c2)n1 ZINC000616518429 342113546 /nfs/dbraw/zinc/11/35/46/342113546.db2.gz WMLNMTKCMDGGSM-UHFFFAOYSA-N -1 3 261.285 1.141 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@H]2CCS[C@H]2C)sc1C ZINC000380109148 342149962 /nfs/dbraw/zinc/14/99/62/342149962.db2.gz KIDIJINACGMHOF-XPUUQOCRSA-N -1 3 272.395 1.966 10 0 CDAEHM Cn1ncc(C(F)(F)F)c1CN=c1ncnc2[nH][n-]cc1-2 ZINC000624438448 342173254 /nfs/dbraw/zinc/17/32/54/342173254.db2.gz CFWCMBZMDRYATD-UHFFFAOYSA-N -1 3 297.244 1.091 10 0 CDAEHM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cn(C(C)C)cn2)C1 ZINC000625666528 342193491 /nfs/dbraw/zinc/19/34/91/342193491.db2.gz KTRMAAFOCWVZPN-PHIMTYICSA-N -1 3 287.385 1.167 10 0 CDAEHM C[C@@H]1C[C@H](S(=O)(=O)[N-]CC(=O)C2CCCC2)CCO1 ZINC000625545136 342184223 /nfs/dbraw/zinc/18/42/23/342184223.db2.gz NOWNCDVZWWIMCJ-ZYHUDNBSSA-N -1 3 289.397 1.233 10 0 CDAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCO[C@H]2C)s1 ZINC000270613390 361941815 /nfs/dbraw/zinc/94/18/15/361941815.db2.gz IOTGGLHMHPJATC-IONNQARKSA-N -1 3 276.383 1.216 10 0 CDAEHM C[C@@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)C[C@H](C)O1 ZINC000619122169 349633126 /nfs/dbraw/zinc/63/31/26/349633126.db2.gz MLMFWYPJJVKEEP-ZJUUUORDSA-N -1 3 274.324 1.597 10 0 CDAEHM CCOC(=O)[C@H]([N-]S(=O)(=O)CC)C1CCCCCC1 ZINC000594488910 342913704 /nfs/dbraw/zinc/91/37/04/342913704.db2.gz WUIVBSZTVUHGOY-GFCCVEGCSA-N -1 3 291.413 1.828 10 0 CDAEHM CC(C)c1ccc(C(=O)NC[C@@H]2CCC(=O)N2)c([O-])c1 ZINC000619140060 349637548 /nfs/dbraw/zinc/63/75/48/349637548.db2.gz OFMJFVHOBIRFII-NSHDSACASA-N -1 3 276.336 1.524 10 0 CDAEHM CCC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000534272484 282173292 /nfs/dbraw/zinc/17/32/92/282173292.db2.gz ZORLNEKFMGOGOC-VWYCJHECSA-N -1 3 281.356 1.060 10 0 CDAEHM O=C(N[C@@H]1CCCC[C@@H]1CO)c1cccc2nn[n-]c21 ZINC000188497033 539150573 /nfs/dbraw/zinc/15/05/73/539150573.db2.gz JXOHMJAWBSGCLK-MWLCHTKSSA-N -1 3 274.324 1.239 10 0 CDAEHM O=C(N[C@@H]1CCCC[C@@H]1CO)c1cccc2[n-]nnc21 ZINC000188497033 539150574 /nfs/dbraw/zinc/15/05/74/539150574.db2.gz JXOHMJAWBSGCLK-MWLCHTKSSA-N -1 3 274.324 1.239 10 0 CDAEHM O=C(N[C@@H]1CCCC[C@@H]1CO)c1cccc2n[n-]nc21 ZINC000188497033 539150575 /nfs/dbraw/zinc/15/05/75/539150575.db2.gz JXOHMJAWBSGCLK-MWLCHTKSSA-N -1 3 274.324 1.239 10 0 CDAEHM O=C(Nc1ncccc1[O-])c1ccnn1CC(F)(F)F ZINC000622504898 342296578 /nfs/dbraw/zinc/29/65/78/342296578.db2.gz FBUYRUBAAZNXHP-UHFFFAOYSA-N -1 3 286.213 1.798 10 0 CDAEHM COC(=O)C[C@H](C[N-]S(=O)(=O)c1ccco1)C1CC1 ZINC000594863748 342965449 /nfs/dbraw/zinc/96/54/49/342965449.db2.gz RIRBADSEBSYPRJ-SNVBAGLBSA-N -1 3 287.337 1.147 10 0 CDAEHM NC(=O)C[C@@H]1CN(Cc2cc([O-])ccc2Cl)CCO1 ZINC000626075548 342299418 /nfs/dbraw/zinc/29/94/18/342299418.db2.gz MCOSKOKYNYAIPO-LLVKDONJSA-N -1 3 284.743 1.122 10 0 CDAEHM Cc1cc(C(=O)NCc2ncnn2C(C)C)ccc1[O-] ZINC000622571419 342354606 /nfs/dbraw/zinc/35/46/06/342354606.db2.gz TYMVXOKPNMBPMD-UHFFFAOYSA-N -1 3 274.324 1.803 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CCc2ccc(F)cc2)c1 ZINC000080710217 342359693 /nfs/dbraw/zinc/35/96/93/342359693.db2.gz SIDDZUSHSLSFLC-UHFFFAOYSA-N -1 3 297.355 1.563 10 0 CDAEHM COc1cc(C(=O)NCCc2ccc[nH]2)cc(OC)c1[O-] ZINC000089459448 342388750 /nfs/dbraw/zinc/38/87/50/342388750.db2.gz GKPVRWAHNQTOSF-UHFFFAOYSA-N -1 3 290.319 1.710 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@H]2C[C@@H](O)C23CCC3)sc1C ZINC000596500480 343336912 /nfs/dbraw/zinc/33/69/12/343336912.db2.gz BLELGCKYGLZJKF-DTWKUNHWSA-N -1 3 282.365 1.375 10 0 CDAEHM Cc1ccc([O-])c(CN2CCC([C@@H](C)O)CC2)n1 ZINC000092969524 342420832 /nfs/dbraw/zinc/42/08/32/342420832.db2.gz YBKYECOLRZDFBR-LLVKDONJSA-N -1 3 250.342 1.688 10 0 CDAEHM COC[C@]1(C(=O)OC)CCCN1C(=O)c1cccc([O-])c1 ZINC000597952499 343677677 /nfs/dbraw/zinc/67/76/77/343677677.db2.gz ISQKNZPIGUSYMT-HNNXBMFYSA-N -1 3 293.319 1.186 10 0 CDAEHM CCc1cccc(C(=O)N2CC3CC2(C(=O)OC)C3)c1[O-] ZINC000598058334 343697959 /nfs/dbraw/zinc/69/79/59/343697959.db2.gz ANMXAJSSBZTRJC-UHFFFAOYSA-N -1 3 289.331 1.732 10 0 CDAEHM COC(=O)[C@@](C)(CCF)NC(=O)c1ccc(OC)cc1[O-] ZINC000598274306 343749898 /nfs/dbraw/zinc/74/98/98/343749898.db2.gz FGOMJBJDAIIVQW-CQSZACIVSA-N -1 3 299.298 1.422 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)C[C@H](C)[C@H]1CCCO1 ZINC000598846681 343910854 /nfs/dbraw/zinc/91/08/54/343910854.db2.gz JILQOXXOLPCTRJ-DTWKUNHWSA-N -1 3 281.312 1.340 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)C[C@H](C)[C@H]1CCCO1 ZINC000598846681 343910855 /nfs/dbraw/zinc/91/08/55/343910855.db2.gz JILQOXXOLPCTRJ-DTWKUNHWSA-N -1 3 281.312 1.340 10 0 CDAEHM CCC(F)(F)C[N-]S(=O)(=O)c1c[nH]c(C(=O)OC)c1 ZINC000599432060 344057831 /nfs/dbraw/zinc/05/78/31/344057831.db2.gz ZWGWVOOWSRUFBC-UHFFFAOYSA-N -1 3 296.295 1.125 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)[C@H](OCC)C(C)C)[n-]1 ZINC000599827896 344143863 /nfs/dbraw/zinc/14/38/63/344143863.db2.gz HMKWAQUXMRUDLF-SNVBAGLBSA-N -1 3 283.328 1.586 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)[C@H](OCC)C(C)C)c[n-]1 ZINC000599827896 344143864 /nfs/dbraw/zinc/14/38/64/344143864.db2.gz HMKWAQUXMRUDLF-SNVBAGLBSA-N -1 3 283.328 1.586 10 0 CDAEHM O=C(Cc1nc2ccc([O-])cc2c(=O)[nH]1)C1CCC1 ZINC000537603097 282372044 /nfs/dbraw/zinc/37/20/44/282372044.db2.gz LURAYRVGXAGFPL-UHFFFAOYSA-N -1 3 258.277 1.953 10 0 CDAEHM C[C@@H]1CCC[C@](N)(C(=O)NC(C)(C)CC(=O)[O-])C1 ZINC000084161154 178810031 /nfs/dbraw/zinc/81/00/31/178810031.db2.gz QDLSLVDGXMWVPX-NOZJJQNGSA-N -1 3 256.346 1.264 10 0 CDAEHM Cc1ccc(C(=O)N[C@H](CO)C2CCC2)c([O-])c1C ZINC000617310376 345144559 /nfs/dbraw/zinc/14/45/59/345144559.db2.gz WCNCZVOFUGQMDO-CYBMUJFWSA-N -1 3 263.337 1.900 10 0 CDAEHM CCN(C(=O)c1ccc(C)cc1[O-])[C@H]1CCN(C)C1 ZINC000617552999 345843012 /nfs/dbraw/zinc/84/30/12/345843012.db2.gz ZFESUSAUEUNTBS-LBPRGKRZSA-N -1 3 262.353 1.867 10 0 CDAEHM CCN(C(=O)c1c([O-])cccc1F)[C@H]1CCN(C)C1 ZINC000617552078 345846762 /nfs/dbraw/zinc/84/67/62/345846762.db2.gz GCEWTGRQRYMNAZ-JTQLQIEISA-N -1 3 266.316 1.698 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1Cc2cncn2C1 ZINC000623256256 345824386 /nfs/dbraw/zinc/82/43/86/345824386.db2.gz DGOQJXNLDFCCAB-JTQLQIEISA-N -1 3 275.283 1.011 10 0 CDAEHM O=C(NC[C@@H]1CCc2cccnc21)c1cccc2nn[n-]c21 ZINC000623318991 346035160 /nfs/dbraw/zinc/03/51/60/346035160.db2.gz QTCBIWSJJIALPG-NSHDSACASA-N -1 3 293.330 1.813 10 0 CDAEHM O=C(NC[C@@H]1CCc2cccnc21)c1cccc2[n-]nnc21 ZINC000623318991 346035161 /nfs/dbraw/zinc/03/51/61/346035161.db2.gz QTCBIWSJJIALPG-NSHDSACASA-N -1 3 293.330 1.813 10 0 CDAEHM O=C(NC[C@@H]1CCc2cccnc21)c1cccc2n[n-]nc21 ZINC000623318991 346035163 /nfs/dbraw/zinc/03/51/63/346035163.db2.gz QTCBIWSJJIALPG-NSHDSACASA-N -1 3 293.330 1.813 10 0 CDAEHM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)NCCN1CCCCC1 ZINC000085339236 179024976 /nfs/dbraw/zinc/02/49/76/179024976.db2.gz LFXJCJMNTGBYPF-OLZOCXBDSA-N -1 3 297.399 1.415 10 0 CDAEHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)[C@@H]1CC12CC2 ZINC000643369786 362770857 /nfs/dbraw/zinc/77/08/57/362770857.db2.gz NPFRWEQYXHQRDM-JTQLQIEISA-N -1 3 254.293 1.632 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000085813118 179178772 /nfs/dbraw/zinc/17/87/72/179178772.db2.gz FGXHGBSZAVWHDG-NXEZZACHSA-N -1 3 298.339 1.281 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)Nc1nc2ccccc2s1 ZINC000085811412 179177943 /nfs/dbraw/zinc/17/79/43/179177943.db2.gz BOHVTBVEHANPPH-ZCFIWIBFSA-N -1 3 265.294 1.037 10 0 CDAEHM CC[C@H](NC(=O)[C@H](N)CC(=O)[O-])c1ccc(Cl)cc1 ZINC000085813305 179178133 /nfs/dbraw/zinc/17/81/33/179178133.db2.gz QPTAWYXBBZCIHG-MNOVXSKESA-N -1 3 284.743 1.709 10 0 CDAEHM CCCCCC[C@H](C)NC(=O)[C@@H](N)CCC(=O)[O-] ZINC000085819714 179182652 /nfs/dbraw/zinc/18/26/52/179182652.db2.gz RKZLWNSSFZDITK-QWRGUYRKSA-N -1 3 258.362 1.654 10 0 CDAEHM CCN(C(=O)[C@@H](N)CCC(=O)[O-])c1cccc(C)c1 ZINC000085841011 179184720 /nfs/dbraw/zinc/18/47/20/179184720.db2.gz AZROPSKDAJSNGA-LBPRGKRZSA-N -1 3 264.325 1.540 10 0 CDAEHM N[C@@H](CCC(=O)[O-])C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000085843596 179185698 /nfs/dbraw/zinc/18/56/98/179185698.db2.gz PIUGBILPYIGBJL-NWDGAFQWSA-N -1 3 268.357 1.360 10 0 CDAEHM C[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)CCC(=O)[O-] ZINC000085844662 179185745 /nfs/dbraw/zinc/18/57/45/179185745.db2.gz DHHGRIAAMYZDTE-BXKDBHETSA-N -1 3 282.315 1.065 10 0 CDAEHM C[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)CCC(=O)[O-] ZINC000085844665 179186354 /nfs/dbraw/zinc/18/63/54/179186354.db2.gz DHHGRIAAMYZDTE-CABZTGNLSA-N -1 3 282.315 1.065 10 0 CDAEHM 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/nfs/dbraw/zinc/68/71/85/412687185.db2.gz CCOXAIONODJSST-UHFFFAOYSA-N -1 3 282.321 1.470 10 0 CDAEHM CCC(CC)(CO)CNC(=O)c1cccc([O-])c1 ZINC000227687130 359839824 /nfs/dbraw/zinc/83/98/24/359839824.db2.gz YTBSVPWSNACNMP-UHFFFAOYSA-N -1 3 251.326 1.921 10 0 CDAEHM O=C1C[C@H]2CC[C@@H](CN1)N2Cc1cccc([O-])c1Cl ZINC000335324392 359911194 /nfs/dbraw/zinc/91/11/94/359911194.db2.gz WSAKOQPAOARPPN-MNOVXSKESA-N -1 3 280.755 1.899 10 0 CDAEHM O=C(CCCc1ccc([O-])c(F)c1)NCCc1cn[nH]c1 ZINC000356974741 366665928 /nfs/dbraw/zinc/66/59/28/366665928.db2.gz DQAVUIYGGUKMGE-UHFFFAOYSA-N -1 3 291.326 1.936 10 0 CDAEHM CCC[C@@](C)([N-]S(=O)(=O)CC1CC1)C(=O)OC ZINC000086497796 360124998 /nfs/dbraw/zinc/12/49/98/360124998.db2.gz CGOHDMUDTSSEJD-LLVKDONJSA-N -1 3 263.359 1.048 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCN3CCCC[C@@H]3C2)n1 ZINC000121361359 360138465 /nfs/dbraw/zinc/13/84/65/360138465.db2.gz GWBYNQMIEHJHOP-CYBMUJFWSA-N -1 3 276.384 1.415 10 0 CDAEHM O=S(=O)([N-][C@@H]1CCCn2ncnc21)c1cccs1 ZINC000176743200 189007292 /nfs/dbraw/zinc/00/72/92/189007292.db2.gz HRZRUEFTOQVICS-MRVPVSSYSA-N -1 3 284.366 1.153 10 0 CDAEHM Cn1cc(OCC(=O)Nc2ccc([O-])cc2F)cn1 ZINC000337490501 360183830 /nfs/dbraw/zinc/18/38/30/360183830.db2.gz DUJNCLROWHJXGK-UHFFFAOYSA-N -1 3 265.244 1.282 10 0 CDAEHM C[C@@]1(CN2CCN(c3nc(=N)[n-]s3)CC2)CCCS1 ZINC000628189820 360192389 /nfs/dbraw/zinc/19/23/89/360192389.db2.gz NYPAKLGKDJHAIU-LBPRGKRZSA-N -1 3 299.469 1.358 10 0 CDAEHM [O-]c1cccnc1CNCc1cnn2ccccc12 ZINC000348554446 360397629 /nfs/dbraw/zinc/39/76/29/360397629.db2.gz MEBBMZONDSPOHU-UHFFFAOYSA-N -1 3 254.293 1.725 10 0 CDAEHM O=S(=O)([N-][C@@H]1CC[C@H]1O)c1cc(Cl)ccc1Cl ZINC000335564319 360464886 /nfs/dbraw/zinc/46/48/86/360464886.db2.gz IIHKCRLSTDOZDW-RKDXNWHRSA-N -1 3 296.175 1.795 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCC[C@H](CO)C1 ZINC000298856786 200550640 /nfs/dbraw/zinc/55/06/40/200550640.db2.gz JIJYXTFEDQMJGW-NWDGAFQWSA-N -1 3 296.342 1.882 10 0 CDAEHM CCC(CC)([N-]S(=O)(=O)c1ccc(C)o1)C(=O)OC ZINC000337959861 360570243 /nfs/dbraw/zinc/57/02/43/360570243.db2.gz ISTVVGVXXAWJBE-UHFFFAOYSA-N -1 3 289.353 1.598 10 0 CDAEHM Cc1cc(C(=O)N=c2cc(-c3cccnc3)[n-][nH]2)cnn1 ZINC000348814502 360592234 /nfs/dbraw/zinc/59/22/34/360592234.db2.gz WPUGMOKTXIXULI-UHFFFAOYSA-N -1 3 280.291 1.244 10 0 CDAEHM COc1ccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c([O-])c1 ZINC000123782359 360738074 /nfs/dbraw/zinc/73/80/74/360738074.db2.gz QTDKWSJDHLQRSP-ZWKOPEQDSA-N -1 3 277.320 1.244 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2cc(C)ccn2)c[n-]1 ZINC000432011972 361087167 /nfs/dbraw/zinc/08/71/67/361087167.db2.gz KEOMVCZCVNTCRI-UHFFFAOYSA-N -1 3 259.265 1.757 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC3(C2)CCCO3)c1 ZINC000628789213 361106252 /nfs/dbraw/zinc/10/62/52/361106252.db2.gz YAXNAAFNAAMFOT-UHFFFAOYSA-N -1 3 290.319 1.356 10 0 CDAEHM COC1CCC(CCN=c2[n-]c(C(N)=O)cs2)CC1 ZINC000432135220 361112524 /nfs/dbraw/zinc/11/25/24/361112524.db2.gz ZDGAEGDYGWYXHB-UHFFFAOYSA-N -1 3 283.397 1.671 10 0 CDAEHM CCC(F)(F)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000628840003 361186865 /nfs/dbraw/zinc/18/68/65/361186865.db2.gz SVCXSWNRCVGRFH-UHFFFAOYSA-N -1 3 271.267 1.835 10 0 CDAEHM CCc1ccc([O-])c(C(=O)NCC[C@H](O)C(F)F)c1 ZINC000633999822 361250425 /nfs/dbraw/zinc/25/04/25/361250425.db2.gz QRFYSPVNUJKTKX-NSHDSACASA-N -1 3 273.279 1.701 10 0 CDAEHM COC(=O)CCCC[N-]S(=O)(=O)c1cnc(C)s1 ZINC000339039406 361231358 /nfs/dbraw/zinc/23/13/58/361231358.db2.gz CGWUBEWCADLVOJ-UHFFFAOYSA-N -1 3 292.382 1.073 10 0 CDAEHM COc1cc(=NC(=O)N[C@@H]2C[C@@]2(C)C(C)C)[n-]n1C ZINC000519525518 361334455 /nfs/dbraw/zinc/33/44/55/361334455.db2.gz CAWVZTARZGDWOF-RNCFNFMXSA-N -1 3 266.345 1.407 10 0 CDAEHM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1Oc2ccccc2[C@H]1C ZINC000348536690 299324962 /nfs/dbraw/zinc/32/49/62/299324962.db2.gz SXWBCFUTRXLNII-ZDMBXUJBSA-N -1 3 274.324 1.553 10 0 CDAEHM COc1cc(=NC(=O)CC[C@H]2CC[C@H](C)O2)[n-]n1C ZINC000547493481 361416335 /nfs/dbraw/zinc/41/63/35/361416335.db2.gz AESLVKMWVXYLQL-VHSXEESVSA-N -1 3 267.329 1.137 10 0 CDAEHM C[C@]1(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C[C@H]2C[C@H]2C1 ZINC000629053107 361450690 /nfs/dbraw/zinc/45/06/90/361450690.db2.gz OUDGFUHNZUSWAA-FTJFQDGESA-N -1 3 298.342 1.736 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)Cc1cc(C)on1)[C@@H]1CCCO1 ZINC000339449181 361514879 /nfs/dbraw/zinc/51/48/79/361514879.db2.gz UTLYZEZPWLOCTI-RYUDHWBXSA-N -1 3 288.369 1.360 10 0 CDAEHM CCc1nnc(CNC(=O)c2cccc(C)c2[O-])o1 ZINC000436537950 361529152 /nfs/dbraw/zinc/52/91/52/361529152.db2.gz PXESXKNMTFFAGO-UHFFFAOYSA-N -1 3 261.281 1.576 10 0 CDAEHM O=C(N[C@@H](CO)c1ccsc1)c1csc(=O)[n-]1 ZINC000351137237 361603654 /nfs/dbraw/zinc/60/36/54/361603654.db2.gz AGCIVQADPMRZCR-ZETCQYMHSA-N -1 3 270.335 1.374 10 0 CDAEHM C[C@@H](CCNC(=O)c1cccc([O-])c1)[S@](C)=O ZINC000166986325 361588218 /nfs/dbraw/zinc/58/82/18/361588218.db2.gz HCLJBJNDFAXXQW-HUTHGQBESA-N -1 3 255.339 1.279 10 0 CDAEHM C[C@@H](CCNC(=O)c1cccc([O-])c1)[S@@](C)=O ZINC000166986520 361588253 /nfs/dbraw/zinc/58/82/53/361588253.db2.gz HCLJBJNDFAXXQW-XYZCENFISA-N -1 3 255.339 1.279 10 0 CDAEHM Cc1ccc(C(=O)NCCCn2ccnn2)c([O-])c1C ZINC000436839084 361588293 /nfs/dbraw/zinc/58/82/93/361588293.db2.gz OELSZPJFPYVYCL-UHFFFAOYSA-N -1 3 274.324 1.421 10 0 CDAEHM CO[C@H](CCNC(=O)c1c([O-])cccc1O)C(F)(F)F ZINC000436851678 361590204 /nfs/dbraw/zinc/59/02/04/361590204.db2.gz FVCLFMYAHMHGFZ-SECBINFHSA-N -1 3 293.241 1.795 10 0 CDAEHM CC1(C)C[C@H](O)CCN(S(=O)(=O)c2ccc([O-])cc2)C1 ZINC000332248234 364153236 /nfs/dbraw/zinc/15/32/36/364153236.db2.gz XKANYQUVTGSBTC-GFCCVEGCSA-N -1 3 299.392 1.564 10 0 CDAEHM CNC(=O)Cc1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000436887462 364680870 /nfs/dbraw/zinc/68/08/70/364680870.db2.gz KCAPQFKGYLPXDI-UHFFFAOYSA-N -1 3 287.319 1.610 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@@H]2C[C@H](C)O[C@@H]2C)c1 ZINC000394997180 364842789 /nfs/dbraw/zinc/84/27/89/364842789.db2.gz DSFJBYNHOPGRGT-YGOYTEALSA-N -1 3 265.309 1.697 10 0 CDAEHM CC(C)c1ccc(C(=O)N[C@@H]2CCC(=O)NC2=O)c([O-])c1 ZINC000271007982 364870295 /nfs/dbraw/zinc/87/02/95/364870295.db2.gz ILTKDTWTWHKKRH-LLVKDONJSA-N -1 3 290.319 1.051 10 0 CDAEHM COc1cc(C(=O)N[C@@H](C)c2cn[nH]c2)cc(OC)c1[O-] ZINC000271161876 364951952 /nfs/dbraw/zinc/95/19/52/364951952.db2.gz RPFGDDBVDMAMJU-QMMMGPOBSA-N -1 3 291.307 1.624 10 0 CDAEHM CCC[C@H](NC(=O)CN1CC(=O)[N-]C1=O)C1CCCCC1 ZINC000111606437 364959395 /nfs/dbraw/zinc/95/93/95/364959395.db2.gz MATUYPWNLJEQDI-LBPRGKRZSA-N -1 3 295.383 1.403 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-][C@H](C)CC2CC2)cn1C ZINC000112708087 364974214 /nfs/dbraw/zinc/97/42/14/364974214.db2.gz WZLJOVIMPBEVAH-MRVPVSSYSA-N -1 3 257.359 1.195 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(F)c(C)c2)c1 ZINC000353278562 365106761 /nfs/dbraw/zinc/10/67/61/365106761.db2.gz YWVFUJYSPWHTES-UHFFFAOYSA-N -1 3 297.355 1.829 10 0 CDAEHM CO[C@H]1CN(C(=O)c2cccc3[n-]nnc32)CC[C@H]1C ZINC000188130070 365077122 /nfs/dbraw/zinc/07/71/22/365077122.db2.gz KVJIBOLJOJOWEL-SKDRFNHKSA-N -1 3 274.324 1.455 10 0 CDAEHM CO[C@H]1CN(C(=O)c2cccc3nn[n-]c32)CC[C@H]1C ZINC000188130070 365077126 /nfs/dbraw/zinc/07/71/26/365077126.db2.gz KVJIBOLJOJOWEL-SKDRFNHKSA-N -1 3 274.324 1.455 10 0 CDAEHM CO[C@H]1CN(C(=O)c2cccc3n[n-]nc32)CC[C@H]1C ZINC000188130070 365077129 /nfs/dbraw/zinc/07/71/29/365077129.db2.gz KVJIBOLJOJOWEL-SKDRFNHKSA-N -1 3 274.324 1.455 10 0 CDAEHM CC(C)C[C@@H](C)CC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000580258508 365167685 /nfs/dbraw/zinc/16/76/85/365167685.db2.gz AZBMNTXHLKAVJK-VXGBXAGGSA-N -1 3 293.415 1.963 10 0 CDAEHM CCc1c(C(=O)Nc2nnc(OC)[n-]2)cnn1C(C)(C)C ZINC000272568008 365297390 /nfs/dbraw/zinc/29/73/90/365297390.db2.gz VASRBHWHVMXXNJ-UHFFFAOYSA-N -1 3 292.343 1.580 10 0 CDAEHM CCc1c(C(=O)Nc2n[n-]c(OC)n2)cnn1C(C)(C)C ZINC000272568008 365297393 /nfs/dbraw/zinc/29/73/93/365297393.db2.gz VASRBHWHVMXXNJ-UHFFFAOYSA-N -1 3 292.343 1.580 10 0 CDAEHM CCc1c(C(=O)Nc2nc(OC)n[n-]2)cnn1C(C)(C)C ZINC000272568008 365297397 /nfs/dbraw/zinc/29/73/97/365297397.db2.gz VASRBHWHVMXXNJ-UHFFFAOYSA-N -1 3 292.343 1.580 10 0 CDAEHM CCc1cc(C(=O)N2CCO[C@H]([C@@H](C)O)C2)ccc1[O-] ZINC000414032196 241034069 /nfs/dbraw/zinc/03/40/69/241034069.db2.gz IXHXWALVHVQBDH-YGRLFVJLSA-N -1 3 279.336 1.176 10 0 CDAEHM COC(=O)[C@@H]1CCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000279493375 367014790 /nfs/dbraw/zinc/01/47/90/367014790.db2.gz OSNBWSCLPRIHRS-NXEZZACHSA-N -1 3 265.313 1.047 10 0 CDAEHM COc1cc(C(=O)NCc2nnc3ccccn32)ccc1[O-] ZINC000357585177 367081010 /nfs/dbraw/zinc/08/10/10/367081010.db2.gz UPWFZHIYKYOQEL-UHFFFAOYSA-N -1 3 298.302 1.374 10 0 CDAEHM COc1cccc(C(=O)NC[C@@](C)(O)C2CC2)c1[O-] ZINC000311637210 367142553 /nfs/dbraw/zinc/14/25/53/367142553.db2.gz KEAYBFCDHIVQND-CQSZACIVSA-N -1 3 265.309 1.292 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2CCO[C@]3(CCSC3)C2)n1 ZINC000566852900 370826032 /nfs/dbraw/zinc/82/60/32/370826032.db2.gz SDRVVRGPRDEBMH-SMDDNHRTSA-N -1 3 295.408 1.760 10 0 CDAEHM CC(C)([N-]S(=O)(=O)c1cscn1)c1nccs1 ZINC000516865011 367198542 /nfs/dbraw/zinc/19/85/42/367198542.db2.gz XXWGOVVZTGQXOX-UHFFFAOYSA-N -1 3 289.407 1.813 10 0 CDAEHM O=S(=O)([N-]CCF)c1ccc(C(F)(F)F)nc1 ZINC000280842762 367562789 /nfs/dbraw/zinc/56/27/89/367562789.db2.gz XOAHIFPCYGXHQW-UHFFFAOYSA-N -1 3 272.223 1.348 10 0 CDAEHM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358602459 367809202 /nfs/dbraw/zinc/80/92/02/367809202.db2.gz RHVGURRTZJJYMF-ONGXEEELSA-N -1 3 275.370 1.663 10 0 CDAEHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])[C@H]1CCCO1 ZINC000193212989 367988335 /nfs/dbraw/zinc/98/83/35/367988335.db2.gz UCBYKRUCANHXNM-PRHODGIISA-N -1 3 251.282 1.395 10 0 CDAEHM CC(C)C[C@@H](CO)N(C)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000282883768 368085521 /nfs/dbraw/zinc/08/55/21/368085521.db2.gz YSENTDZQTCOMMI-JTQLQIEISA-N -1 3 294.330 1.576 10 0 CDAEHM CC(C)C[C@@H](CO)N(C)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000282883768 368085528 /nfs/dbraw/zinc/08/55/28/368085528.db2.gz YSENTDZQTCOMMI-JTQLQIEISA-N -1 3 294.330 1.576 10 0 CDAEHM CC(C)C[C@@H](CO)N(C)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000282883768 368085533 /nfs/dbraw/zinc/08/55/33/368085533.db2.gz YSENTDZQTCOMMI-JTQLQIEISA-N -1 3 294.330 1.576 10 0 CDAEHM O=C(CNC(=O)c1cccc([O-])c1)NCCC1(F)CCC1 ZINC000360213841 368179554 /nfs/dbraw/zinc/17/95/54/368179554.db2.gz RMWIRSVYRPPNDA-UHFFFAOYSA-N -1 3 294.326 1.521 10 0 CDAEHM COc1nnc(NC(=O)c2cc3ccc(OC)cc3[nH]2)[n-]1 ZINC000540914366 368570591 /nfs/dbraw/zinc/57/05/91/368570591.db2.gz WHJRUCIPIJWRLJ-UHFFFAOYSA-N -1 3 287.279 1.556 10 0 CDAEHM COc1nc(NC(=O)c2cc3ccc(OC)cc3[nH]2)n[n-]1 ZINC000540914366 368570594 /nfs/dbraw/zinc/57/05/94/368570594.db2.gz WHJRUCIPIJWRLJ-UHFFFAOYSA-N -1 3 287.279 1.556 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cc3ccc(OC)cc3[nH]2)n1 ZINC000540914366 368570598 /nfs/dbraw/zinc/57/05/98/368570598.db2.gz WHJRUCIPIJWRLJ-UHFFFAOYSA-N -1 3 287.279 1.556 10 0 CDAEHM O=c1c(NCc2ccc([O-])c(F)c2)nccn1C(F)F ZINC000360986597 368587427 /nfs/dbraw/zinc/58/74/27/368587427.db2.gz UVBNAPUJJGJBEG-UHFFFAOYSA-N -1 3 285.225 1.517 10 0 CDAEHM CCC[C@H](C)CC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000567183414 370905924 /nfs/dbraw/zinc/90/59/24/370905924.db2.gz SVNVYNJNXTZBKK-WDEREUQCSA-N -1 3 279.388 1.717 10 0 CDAEHM O=C(c1cc[nH]c1C1CC1)N1CCc2c(=O)[n-]cnc2C1 ZINC000286249464 368746563 /nfs/dbraw/zinc/74/65/63/368746563.db2.gz ZKHPIFBWRAFSOS-UHFFFAOYSA-N -1 3 284.319 1.586 10 0 CDAEHM Cc1cnc(C(=O)N2CC[C@H](N3CCCC3)C2)c([O-])c1 ZINC000545175349 369153819 /nfs/dbraw/zinc/15/38/19/369153819.db2.gz RQBFHLISJNNCMQ-LBPRGKRZSA-N -1 3 275.352 1.406 10 0 CDAEHM Cc1ccc(C(=O)NCCC(=O)N2C[C@H](C)[C@H]2C)c([O-])c1 ZINC000294184875 370983913 /nfs/dbraw/zinc/98/39/13/370983913.db2.gz PZKKKZVEAKQZST-NWDGAFQWSA-N -1 3 290.363 1.687 10 0 CDAEHM COc1cccc(C(=O)N2CC(n3cccn3)C2)c1[O-] ZINC000375814956 370986740 /nfs/dbraw/zinc/98/67/40/370986740.db2.gz OBDVNLPPGNDEOB-UHFFFAOYSA-N -1 3 273.292 1.294 10 0 CDAEHM C[C@@H](C1CC1)n1nccc1NC([O-])=NOC[C@H]1CCOC1 ZINC000276353756 193296898 /nfs/dbraw/zinc/29/68/98/193296898.db2.gz JBIBKTLGBAWNOT-QWRGUYRKSA-N -1 3 294.355 1.944 10 0 CDAEHM C[C@@H](C1CC1)n1nccc1NC(=O)[N-]OC[C@H]1CCOC1 ZINC000276353756 193296899 /nfs/dbraw/zinc/29/68/99/193296899.db2.gz JBIBKTLGBAWNOT-QWRGUYRKSA-N -1 3 294.355 1.944 10 0 CDAEHM COc1cc(=NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)[n-]n1C ZINC000547817968 369655759 /nfs/dbraw/zinc/65/57/59/369655759.db2.gz JYFCDTUUCDIOPZ-ZACCUICWSA-N -1 3 291.351 1.185 10 0 CDAEHM CC(F)(F)C(=O)[N-][C@H]1COc2ccc(F)cc2C1 ZINC000289863555 369693884 /nfs/dbraw/zinc/69/38/84/369693884.db2.gz VUYSSAWPSRIYOM-SECBINFHSA-N -1 3 259.227 1.901 10 0 CDAEHM COc1cc(=NC(=O)NCCCOC2CCCC2)[n-]n1C ZINC000548171222 369778069 /nfs/dbraw/zinc/77/80/69/369778069.db2.gz RKYHOZINPFADPL-UHFFFAOYSA-N -1 3 296.371 1.321 10 0 CDAEHM CC[C@H]1CCCC[C@H]1OCC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000548472473 369869917 /nfs/dbraw/zinc/86/99/17/369869917.db2.gz RGIJZRFCQKANDT-NWDGAFQWSA-N -1 3 295.383 1.775 10 0 CDAEHM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2ccccc2[O-])CC1=O ZINC000369815625 369887191 /nfs/dbraw/zinc/88/71/91/369887191.db2.gz CQJJAYZKNUVTCR-CKYFFXLPSA-N -1 3 274.320 1.131 10 0 CDAEHM CO[C@@H]1[C@@H](C)[C@@H]([N-]S(=O)(=O)c2cscn2)C1(C)C ZINC000564911952 370296135 /nfs/dbraw/zinc/29/61/35/370296135.db2.gz CJWPVXCXTIHVJL-FXBDTBDDSA-N -1 3 290.410 1.481 10 0 CDAEHM C[C@@H]1CCN(Cc2cnn(CC(F)F)c2)C[C@@H]1C(=O)[O-] ZINC000564970259 370312623 /nfs/dbraw/zinc/31/26/23/370312623.db2.gz GZUDGTARRUWDDS-KOLCDFICSA-N -1 3 287.310 1.691 10 0 CDAEHM CN1CCCC(C)(C)[C@@H]1CNc1ncncc1C(=O)[O-] ZINC000565039744 370335878 /nfs/dbraw/zinc/33/58/78/370335878.db2.gz CCICMRZLTXLXJR-NSHDSACASA-N -1 3 278.356 1.129 10 0 CDAEHM CC(C)(C)CC[C@H](NC(=O)C(N)C(F)(F)F)C(=O)[O-] ZINC000565062043 370342545 /nfs/dbraw/zinc/34/25/45/370342545.db2.gz VTRQLKOTPXDSJJ-BQBZGAKWSA-N -1 3 284.278 1.272 10 0 CDAEHM CO[C@H](C)CN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)C(C)C ZINC000565606310 370488746 /nfs/dbraw/zinc/48/87/46/370488746.db2.gz ATWPGBGBRDCLBL-SNVBAGLBSA-N -1 3 293.367 1.945 10 0 CDAEHM CC[C@@H]1CCN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000294204646 370993067 /nfs/dbraw/zinc/99/30/67/370993067.db2.gz XXUFSMRCMBZSBN-SECBINFHSA-N -1 3 288.394 1.037 10 0 CDAEHM Cc1cc(C(=O)NC[C@H](O)C(C)(C)C)ccc1[O-] ZINC000272674133 371118179 /nfs/dbraw/zinc/11/81/79/371118179.db2.gz QSWNJIMIUYNUKA-LBPRGKRZSA-N -1 3 251.326 1.837 10 0 CDAEHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cscn2)CCO1 ZINC000572598333 294653879 /nfs/dbraw/zinc/65/38/79/294653879.db2.gz CMWOZHBKNWEOLT-RKDXNWHRSA-N -1 3 276.383 1.237 10 0 CDAEHM C[C@@]1(F)CCCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000295428471 371271139 /nfs/dbraw/zinc/27/11/39/371271139.db2.gz DKZJUSKNTOJIFK-OAHLLOKOSA-N -1 3 290.294 1.534 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1cscn1)[C@H]1CCCO1 ZINC000572837974 371315293 /nfs/dbraw/zinc/31/52/93/371315293.db2.gz LMYSTKMSNCQPNL-DTWKUNHWSA-N -1 3 276.383 1.379 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-]C[C@H](C)C(C)C)cn1C ZINC000172665567 372385232 /nfs/dbraw/zinc/38/52/32/372385232.db2.gz GVHCFFSFWFRZQG-VIFPVBQESA-N -1 3 259.375 1.299 10 0 CDAEHM CC1(C)SC[C@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000578673186 372540188 /nfs/dbraw/zinc/54/01/88/372540188.db2.gz LYTIQHMOEKTYTR-SECBINFHSA-N -1 3 262.338 1.582 10 0 CDAEHM CC1(C)SC[C@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000578673186 372540192 /nfs/dbraw/zinc/54/01/92/372540192.db2.gz LYTIQHMOEKTYTR-SECBINFHSA-N -1 3 262.338 1.582 10 0 CDAEHM CC1(C)SC[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000578673186 372540198 /nfs/dbraw/zinc/54/01/98/372540198.db2.gz LYTIQHMOEKTYTR-SECBINFHSA-N -1 3 262.338 1.582 10 0 CDAEHM C[C@H](CNC(=O)c1c[n-]nn1)c1ccc(F)cc1F ZINC000174312197 372595563 /nfs/dbraw/zinc/59/55/63/372595563.db2.gz NUARREJKNWDOIG-SSDOTTSWSA-N -1 3 266.251 1.616 10 0 CDAEHM C[C@H](CNC(=O)c1cnn[n-]1)c1ccc(F)cc1F ZINC000174312197 372595569 /nfs/dbraw/zinc/59/55/69/372595569.db2.gz NUARREJKNWDOIG-SSDOTTSWSA-N -1 3 266.251 1.616 10 0 CDAEHM C[C@H](CNC(=O)c1cn[n-]n1)c1ccc(F)cc1F ZINC000174312197 372595570 /nfs/dbraw/zinc/59/55/70/372595570.db2.gz NUARREJKNWDOIG-SSDOTTSWSA-N -1 3 266.251 1.616 10 0 CDAEHM O=C(c1cc(F)ccc1[O-])N1CCCN(C2CC2)CC1 ZINC000175209720 372674663 /nfs/dbraw/zinc/67/46/63/372674663.db2.gz BPQFAFCZPMXPAA-UHFFFAOYSA-N -1 3 278.327 1.842 10 0 CDAEHM Cc1nc(C)c(CC(=O)N[C@H]2CC23CCCC3)c(=O)[n-]1 ZINC000581168309 372857398 /nfs/dbraw/zinc/85/73/98/372857398.db2.gz RWAOKPILQFLCPA-LBPRGKRZSA-N -1 3 275.352 1.790 10 0 CDAEHM CCC[C@H](C)[C@H](CO)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000581256425 372902680 /nfs/dbraw/zinc/90/26/80/372902680.db2.gz AKGSRUGKJWECSL-GWCFXTLKSA-N -1 3 283.343 1.987 10 0 CDAEHM CC(C)(C)C(=O)C[N-]S(=O)(=O)CCOCC1CCC1 ZINC000645654465 373093390 /nfs/dbraw/zinc/09/33/90/373093390.db2.gz VTJPLBYWYZVHTD-UHFFFAOYSA-N -1 3 291.413 1.338 10 0 CDAEHM O=S(=O)([N-]CCCCO)c1cnccc1C(F)(F)F ZINC000341560455 373748461 /nfs/dbraw/zinc/74/84/61/373748461.db2.gz BMKTYVRCTDWWNP-UHFFFAOYSA-N -1 3 298.286 1.151 10 0 CDAEHM CO[C@@H](C)[C@@H](C)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000342374147 374157343 /nfs/dbraw/zinc/15/73/43/374157343.db2.gz MGQYNPKESOAYKR-SFYZADRCSA-N -1 3 291.307 1.115 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCC(c3cc[nH]n3)CC2)n1 ZINC000119518586 374563363 /nfs/dbraw/zinc/56/33/63/374563363.db2.gz MLWHLRLPEUEJKT-UHFFFAOYSA-N -1 3 287.367 1.847 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N[C@@H]1Cc2cncn2C1 ZINC000627614359 375431321 /nfs/dbraw/zinc/43/13/21/375431321.db2.gz HVMWNVBUGXMQKP-SNVBAGLBSA-N -1 3 257.293 1.252 10 0 CDAEHM CC[C@@]1(O)CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000428745071 247359764 /nfs/dbraw/zinc/35/97/64/247359764.db2.gz OMUZDHXMGKVHLG-MRXNPFEDSA-N -1 3 286.331 1.515 10 0 CDAEHM CC1CCN(CC(=O)NCc2ncccc2[O-])CC1 ZINC000331014915 376454631 /nfs/dbraw/zinc/45/46/31/376454631.db2.gz LCQGLUYJVKELIP-UHFFFAOYSA-N -1 3 263.341 1.135 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2ccc3c(c2)CCO3)c[n-]1 ZINC000431845449 247841042 /nfs/dbraw/zinc/84/10/42/247841042.db2.gz GNIDOFSZQVRKRH-UHFFFAOYSA-N -1 3 286.287 1.989 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2CCc3cccc(OC)c32)[n-]1 ZINC000344865787 377029089 /nfs/dbraw/zinc/02/90/89/377029089.db2.gz UJYTUKBZEVYMKK-SECBINFHSA-N -1 3 288.307 1.490 10 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ZINC000444489388 250140929 /nfs/dbraw/zinc/14/09/29/250140929.db2.gz VLDWKCJMLOMRON-UHFFFAOYSA-N -1 3 283.331 1.991 10 0 CDAEHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000289446458 197351515 /nfs/dbraw/zinc/35/15/15/197351515.db2.gz FESXYWVWNWFFGR-GHMZBOCLSA-N -1 3 289.401 1.241 10 0 CDAEHM CCCN1CCC[C@H]1C(=O)N(C)[C@@H](CC)C(=O)[O-] ZINC000653342665 412933942 /nfs/dbraw/zinc/93/39/42/412933942.db2.gz CZKRJDJOBLWDKV-QWRGUYRKSA-N -1 3 256.346 1.182 10 0 CDAEHM CN1CCC[C@@H](N2CCC(CCC(=O)[O-])CC2)C1=O ZINC000662216403 412938414 /nfs/dbraw/zinc/93/84/14/412938414.db2.gz LSIOLJYUPZDPQW-GFCCVEGCSA-N -1 3 268.357 1.184 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2c2ncc(Cl)s2)nc1=N ZINC000663963262 412983559 /nfs/dbraw/zinc/98/35/59/412983559.db2.gz RVKJXXLDLYHUMC-ZCFIWIBFSA-N -1 3 284.776 1.679 10 0 CDAEHM Cn1nccc1C1=CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000289351586 197308001 /nfs/dbraw/zinc/30/80/01/197308001.db2.gz LQPWVAHUXPLOLT-UHFFFAOYSA-N -1 3 299.330 1.761 10 0 CDAEHM C[C@H]([N-]S(=O)(=O)c1cccc(C(N)=O)c1)C(F)(F)F ZINC000288673445 197142667 /nfs/dbraw/zinc/14/26/67/197142667.db2.gz SWZQQCOYTPTILM-LURJTMIESA-N -1 3 296.270 1.015 10 0 CDAEHM COc1ccc(OC)c([C@](C)(CC(=O)[O-])N(C)C)c1 ZINC000080679915 177690421 /nfs/dbraw/zinc/69/04/21/177690421.db2.gz UTLACEXMIBOQHR-AWEZNQCLSA-N -1 3 267.325 1.955 10 0 CDAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@@H]1CCCCO1 ZINC000525967639 262358664 /nfs/dbraw/zinc/35/86/64/262358664.db2.gz XDUHQVUEBCBLJV-QWRGUYRKSA-N -1 3 265.313 1.191 10 0 CDAEHM CCOC(=O)[C@@H](CCOC)NC(=O)c1ccc([O-])c(C)c1 ZINC000281800032 195386799 /nfs/dbraw/zinc/38/67/99/195386799.db2.gz WEIAPZJWTVHMRG-GFCCVEGCSA-N -1 3 295.335 1.399 10 0 CDAEHM CC(C)N(C)C(=O)[C@@H](C)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000647367929 390948258 /nfs/dbraw/zinc/94/82/58/390948258.db2.gz AMNOWQWZTCZDSN-UTUOFQBUSA-N -1 3 270.373 1.284 10 0 CDAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@H]1CCCN1C1CC1 ZINC000527499870 391023202 /nfs/dbraw/zinc/02/32/02/391023202.db2.gz 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391510099 /nfs/dbraw/zinc/51/00/99/391510099.db2.gz AXGNYIYQRJRPCA-UHFFFAOYSA-N -1 3 279.336 1.826 10 0 CDAEHM NC(=O)c1csc(=NC[C@@H]2CC[C@@H]3C[C@@H]3C2)[n-]1 ZINC000528073488 391600785 /nfs/dbraw/zinc/60/07/85/391600785.db2.gz UNRPPYPVWXQCJZ-HLTSFMKQSA-N -1 3 251.355 1.512 10 0 CDAEHM Cc1cc(Cl)cc(CN[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000417566529 391673266 /nfs/dbraw/zinc/67/32/66/391673266.db2.gz MPFUUXUIKLHWDQ-ZDUSSCGKSA-N -1 3 269.728 1.982 10 0 CDAEHM C[C@H]1COCC[C@@H]1c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351363533 391674107 /nfs/dbraw/zinc/67/41/07/391674107.db2.gz BYZHNAJOMJNTMP-YUMQZZPRSA-N -1 3 262.269 1.372 10 0 CDAEHM Cc1ccc([O-])c(CNc2cccc3c2CNC3=O)n1 ZINC000342075114 130238721 /nfs/dbraw/zinc/23/87/21/130238721.db2.gz QEQXORZQXHLPRB-UHFFFAOYSA-N -1 3 269.304 1.951 10 0 CDAEHM Cc1cc(NC(=O)NCc2ncccc2[O-])nn1C(C)C ZINC000421205063 391826695 /nfs/dbraw/zinc/82/66/95/391826695.db2.gz ZIDRWCXNLIJISX-UHFFFAOYSA-N -1 3 289.339 1.617 10 0 CDAEHM CO[C@H](C)CN(C(=O)c1cccc2[n-]nnc21)C(C)C 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140092327 /nfs/dbraw/zinc/09/23/27/140092327.db2.gz OYNAZDMMAAUEIC-WDEREUQCSA-N -1 3 286.331 1.825 10 0 CDAEHM Cc1csc2c1ncnc2N(C)C[C@H](C)c1nnn[n-]1 ZINC000192765685 140143526 /nfs/dbraw/zinc/14/35/26/140143526.db2.gz HXGKZZGAIZIRFI-ZETCQYMHSA-N -1 3 289.368 1.753 10 0 CDAEHM Cc1csc2c1ncnc2N(C)C[C@H](C)c1nn[n-]n1 ZINC000192765685 140143528 /nfs/dbraw/zinc/14/35/28/140143528.db2.gz HXGKZZGAIZIRFI-ZETCQYMHSA-N -1 3 289.368 1.753 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)C[C@@H](C)OC)c1nccs1 ZINC000195276800 140153193 /nfs/dbraw/zinc/15/31/93/140153193.db2.gz IBQSXVLIVHMOTN-BDAKNGLRSA-N -1 3 278.399 1.549 10 0 CDAEHM O=S1(=O)CC(CCOc2ccc3c([O-])coc3c2)C1 ZINC000664137117 413099914 /nfs/dbraw/zinc/09/99/14/413099914.db2.gz XNJROKNOKAGPOQ-UHFFFAOYSA-N -1 3 282.317 1.075 10 0 CDAEHM CCc1onc(C)c1C(=O)[N-]c1ncn(C(C)C)n1 ZINC000650276847 397841462 /nfs/dbraw/zinc/84/14/62/397841462.db2.gz JCCFZPLAEOZSFI-UHFFFAOYSA-N -1 3 263.301 1.970 10 0 CDAEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc[nH]1 ZINC000095218215 147111598 /nfs/dbraw/zinc/11/15/98/147111598.db2.gz RXNYYVNCFIEJOL-UHFFFAOYSA-N -1 3 268.280 1.371 10 0 CDAEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc[nH]1 ZINC000095218215 147111601 /nfs/dbraw/zinc/11/16/01/147111601.db2.gz RXNYYVNCFIEJOL-UHFFFAOYSA-N -1 3 268.280 1.371 10 0 CDAEHM COc1nnc(NC(=O)C2(c3cccc(F)c3)CC2)[n-]1 ZINC000179370959 148109572 /nfs/dbraw/zinc/10/95/72/148109572.db2.gz LYJOFZSNOFKQTE-UHFFFAOYSA-N -1 3 276.271 1.623 10 0 CDAEHM COc1nc(NC(=O)C2(c3cccc(F)c3)CC2)n[n-]1 ZINC000179370959 148109576 /nfs/dbraw/zinc/10/95/76/148109576.db2.gz LYJOFZSNOFKQTE-UHFFFAOYSA-N -1 3 276.271 1.623 10 0 CDAEHM COc1n[n-]c(NC(=O)C2(c3cccc(F)c3)CC2)n1 ZINC000179370959 148109579 /nfs/dbraw/zinc/10/95/79/148109579.db2.gz LYJOFZSNOFKQTE-UHFFFAOYSA-N -1 3 276.271 1.623 10 0 CDAEHM O=C(/C=C/c1cncc([O-])c1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000179436701 148114205 /nfs/dbraw/zinc/11/42/05/148114205.db2.gz UJIXQEDLKOZGFL-XEVLESSRSA-N -1 3 288.347 1.970 10 0 CDAEHM O=C(C=Cc1cncc([O-])c1)N1CCC(c2cc[nH]n2)CC1 ZINC000182035481 148236830 /nfs/dbraw/zinc/23/68/30/148236830.db2.gz YXRALTDYLNDQKM-OWOJBTEDSA-N -1 3 298.346 1.930 10 0 CDAEHM Cc1ccc(C(=O)N(C)[C@@H]2CN3CCC2CC3)c([O-])c1 ZINC000312659142 149235733 /nfs/dbraw/zinc/23/57/33/149235733.db2.gz KHZDESRLNMENTG-CQSZACIVSA-N -1 3 274.364 1.867 10 0 CDAEHM Cc1csc(C[N-]S(=O)(=O)c2ccc(C)o2)n1 ZINC000334234122 149376406 /nfs/dbraw/zinc/37/64/06/149376406.db2.gz YYDIZZLBTMSPBD-UHFFFAOYSA-N -1 3 272.351 1.831 10 0 CDAEHM CC1CN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000334238930 149381717 /nfs/dbraw/zinc/38/17/17/149381717.db2.gz UBPKHYXINXHCAO-UHFFFAOYSA-N -1 3 286.328 1.289 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)c1 ZINC000335073435 150261317 /nfs/dbraw/zinc/26/13/17/150261317.db2.gz YCRSBSOWRLKLRY-UHFFFAOYSA-N -1 3 293.339 1.759 10 0 CDAEHM COc1cc(C(=O)NCC[C@@H]2CCOC2)cc(OC)c1[O-] ZINC000346069467 153042393 /nfs/dbraw/zinc/04/23/93/153042393.db2.gz BQQRZXPYBKOMEK-SNVBAGLBSA-N -1 3 295.335 1.566 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-]Cc1cccnc1 ZINC000346450160 153192755 /nfs/dbraw/zinc/19/27/55/153192755.db2.gz VCSUFVCFAOTDMQ-UHFFFAOYSA-N -1 3 293.348 1.354 10 0 CDAEHM CCc1ncc(NC(=O)NCc2ncccc2[O-])cn1 ZINC000346857903 153329758 /nfs/dbraw/zinc/32/97/58/153329758.db2.gz CJVGTMHJCDBNRN-UHFFFAOYSA-N -1 3 273.296 1.461 10 0 CDAEHM CC(C)COCCCNC(=O)NCc1ncccc1[O-] ZINC000349136565 154058284 /nfs/dbraw/zinc/05/82/84/154058284.db2.gz AQNBTCWFDITGCO-UHFFFAOYSA-N -1 3 281.356 1.649 10 0 CDAEHM COC[C@@H](NC(=O)NCc1ncccc1[O-])c1ccco1 ZINC000349493874 154124390 /nfs/dbraw/zinc/12/43/90/154124390.db2.gz QCVWJKGNPKNXQC-LLVKDONJSA-N -1 3 291.307 1.567 10 0 CDAEHM COC[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccccc1 ZINC000349511104 154127249 /nfs/dbraw/zinc/12/72/49/154127249.db2.gz UPMUBFGNURINBR-SNVBAGLBSA-N -1 3 278.333 1.966 10 0 CDAEHM Cc1nc([N-]c2ccn(CCC(C)C)n2)nc(N(C)C)n1 ZINC000355575873 157123907 /nfs/dbraw/zinc/12/39/07/157123907.db2.gz NHBXZYGKPCTXPR-UHFFFAOYSA-N -1 3 289.387 1.654 10 0 CDAEHM CCCn1c(=O)[n-]nc1S[C@H](CC)C(=O)OC ZINC000358870028 158059787 /nfs/dbraw/zinc/05/97/87/158059787.db2.gz GXBIGAWIZPBVOU-SSDOTTSWSA-N -1 3 259.331 1.437 10 0 CDAEHM Cc1ccc(CC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cn1 ZINC000371503619 160018984 /nfs/dbraw/zinc/01/89/84/160018984.db2.gz MQJFQHBIQAOIKA-UHFFFAOYSA-N -1 3 293.330 1.778 10 0 CDAEHM Cc1cn2c(n1)CN(C(=O)c1cccc([O-])c1)CC2 ZINC000374676331 160306609 /nfs/dbraw/zinc/30/66/09/160306609.db2.gz GUMZAFQFPFZNSS-UHFFFAOYSA-N -1 3 257.293 1.553 10 0 CDAEHM O=c1nc(C2CCN(Cc3ccnc(Cl)c3)CC2)[nH][n-]1 ZINC000284358957 196039130 /nfs/dbraw/zinc/03/91/30/196039130.db2.gz SPJVXSRIZOFYBP-UHFFFAOYSA-N -1 3 293.758 1.526 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CC[C@@]2(C1)CCCOC2 ZINC000655398698 412174006 /nfs/dbraw/zinc/17/40/06/412174006.db2.gz DCRZCRPTFPRAII-OAHLLOKOSA-N -1 3 276.336 1.359 10 0 CDAEHM CC(C)OC[C@H](N)C(=O)Nc1cc(F)ccc1[O-] ZINC000662822264 413550143 /nfs/dbraw/zinc/55/01/43/413550143.db2.gz LSMYWHWRDQHFPB-VIFPVBQESA-N -1 3 256.277 1.222 10 0 CDAEHM CCC(CC)(CC(=O)N1CCCN(C)CC1)C(=O)[O-] ZINC000035282170 172100894 /nfs/dbraw/zinc/10/08/94/172100894.db2.gz UPDPIONRRROFQK-UHFFFAOYSA-N -1 3 270.373 1.432 10 0 CDAEHM C[C@@H](NCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000035388583 172171155 /nfs/dbraw/zinc/17/11/55/172171155.db2.gz WLPKXNJIEWVKQV-ZCFIWIBFSA-N -1 3 291.134 1.995 10 0 CDAEHM CCC[C@@]1([N-]S(=O)(=O)c2c(C)noc2C)CCOC1 ZINC000285300688 196245911 /nfs/dbraw/zinc/24/59/11/196245911.db2.gz LDRZVCHDDURVGL-GFCCVEGCSA-N -1 3 288.369 1.529 10 0 CDAEHM C[C@H](CC(F)(F)F)CS(=O)(=O)[N-]Cc1ccno1 ZINC000656954289 413815481 /nfs/dbraw/zinc/81/54/81/413815481.db2.gz RMQNLSJDUZAATI-SSDOTTSWSA-N -1 3 286.275 1.683 10 0 CDAEHM CCn1nc(C)cc1-c1ccc(S(=O)(=O)[N-]C)s1 ZINC000665213827 413943342 /nfs/dbraw/zinc/94/33/42/413943342.db2.gz DDDVAUNYIHUQTO-UHFFFAOYSA-N -1 3 285.394 1.848 10 0 CDAEHM C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663155720 414008602 /nfs/dbraw/zinc/00/86/02/414008602.db2.gz XLIPLWBIDCPKHL-NTZNESFSSA-N -1 3 282.384 1.476 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC(O)(C2CC2)C2CC2)o1 ZINC000657181096 414010568 /nfs/dbraw/zinc/01/05/68/414010568.db2.gz FSHKUJDQNTWWMY-UHFFFAOYSA-N -1 3 285.365 1.417 10 0 CDAEHM CN(CCN1CCCCC1)C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663119385 413960516 /nfs/dbraw/zinc/96/05/16/413960516.db2.gz LZTPSRJUFKKZKC-LBPRGKRZSA-N -1 3 268.357 1.042 10 0 CDAEHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCc2n[nH]cc2C1 ZINC000663190574 414041469 /nfs/dbraw/zinc/04/14/69/414041469.db2.gz HWXAGEQVLWPRQO-UHFFFAOYSA-N -1 3 299.334 1.371 10 0 CDAEHM CN[C@@H](C(=O)[O-])c1c(OC)cc(OC)cc1OC ZINC000037180371 173012771 /nfs/dbraw/zinc/01/27/71/173012771.db2.gz HZFPVNJLVANLJG-LLVKDONJSA-N -1 3 255.270 1.058 10 0 CDAEHM CN[C@H](C(=O)[O-])c1c(OC)cc(OC)cc1OC ZINC000037180369 173012775 /nfs/dbraw/zinc/01/27/75/173012775.db2.gz HZFPVNJLVANLJG-NSHDSACASA-N -1 3 255.270 1.058 10 0 CDAEHM COc1ccc([C@H](C(=O)[O-])N(C)C)cc1OC(F)F ZINC000037358307 173148812 /nfs/dbraw/zinc/14/88/12/173148812.db2.gz BPVFJNADSKLLGO-SNVBAGLBSA-N -1 3 275.251 1.984 10 0 CDAEHM Cn1ccc(CN2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)n1 ZINC000659800031 414131823 /nfs/dbraw/zinc/13/18/23/414131823.db2.gz QZVSIPGALXTHHQ-FZMZJTMJSA-N -1 3 263.341 1.497 10 0 CDAEHM Cn1ccnc1-c1noc([N-]Cc2cnc3n2CCC3)n1 ZINC000663256390 414091508 /nfs/dbraw/zinc/09/15/08/414091508.db2.gz OHUDKNKSRVKANM-UHFFFAOYSA-N -1 3 285.311 1.225 10 0 CDAEHM CC(C)Sc1nnc(-c2ccc([O-])cc2)c(=O)n1N ZINC000040177445 174202382 /nfs/dbraw/zinc/20/23/82/174202382.db2.gz DTALSVIVSYEHKX-UHFFFAOYSA-N -1 3 278.337 1.225 10 0 CDAEHM CCO[N-]C(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000040476690 174282886 /nfs/dbraw/zinc/28/28/86/174282886.db2.gz SPHITSAKBYTKGQ-UHFFFAOYSA-N -1 3 253.346 1.766 10 0 CDAEHM CCC1CCC(NC(=O)[C@@H](N)C(C)(C)C)(C(=O)[O-])CC1 ZINC000040481495 174285307 /nfs/dbraw/zinc/28/53/07/174285307.db2.gz PZCZGEMDJLGLHA-LOIXOFCESA-N -1 3 284.400 1.900 10 0 CDAEHM C[C@H](N)C(=O)N(CC(=O)[O-])c1cccc(Cl)c1 ZINC000040484593 174287970 /nfs/dbraw/zinc/28/79/70/174287970.db2.gz QVJHVVUTYQJFSQ-ZETCQYMHSA-N -1 3 256.689 1.105 10 0 CDAEHM N[C@H](CC(=O)N(CC(=O)[O-])C1CCCC1)c1ccccc1 ZINC000040485667 174288516 /nfs/dbraw/zinc/28/85/16/174288516.db2.gz LEFIVSJQMLUWPW-CQSZACIVSA-N -1 3 290.363 1.932 10 0 CDAEHM CCCC[C@H](N)C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000040485775 174288761 /nfs/dbraw/zinc/28/87/61/174288761.db2.gz FBROYCYEEPVKRO-NSHDSACASA-N -1 3 256.346 1.360 10 0 CDAEHM CCN1CCC[C@@H](NC(=O)c2ccccc2C(=O)[O-])C1 ZINC000040503026 174300204 /nfs/dbraw/zinc/30/02/04/174300204.db2.gz QKIYNXGCKHKOEQ-LLVKDONJSA-N -1 3 276.336 1.599 10 0 CDAEHM CN(C)CCOc1c(F)cccc1/C=C/C(=O)[O-] ZINC000040541807 174322873 /nfs/dbraw/zinc/32/28/73/174322873.db2.gz VVENZAMCVQOSJR-VOTSOKGWSA-N -1 3 253.273 1.864 10 0 CDAEHM CCN1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000040552815 174329795 /nfs/dbraw/zinc/32/97/95/174329795.db2.gz UAMVTGPJMIVBFG-VXGBXAGGSA-N -1 3 283.372 1.119 10 0 CDAEHM O=C(c1cc(-c2ccccc2)nc(=O)[n-]1)N1CCOCC1 ZINC000041189276 174507545 /nfs/dbraw/zinc/50/75/45/174507545.db2.gz NMMXHWLXSBAAQI-UHFFFAOYSA-N -1 3 285.303 1.322 10 0 CDAEHM O=S(=O)(c1ccc([O-])cc1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000043428369 175041922 /nfs/dbraw/zinc/04/19/22/175041922.db2.gz JBSLDQPEBNWWLV-UONOGXRCSA-N -1 3 297.376 1.724 10 0 CDAEHM CN1CCC[C@H](CNC(=O)CC2(C(=O)[O-])CCCC2)C1 ZINC000044536274 175198653 /nfs/dbraw/zinc/19/86/53/175198653.db2.gz MINBQDGCCHVPRB-GFCCVEGCSA-N -1 3 282.384 1.480 10 0 CDAEHM CCCNCC(=O)N(CCC(=O)[O-])c1ccccc1 ZINC000044651082 175225007 /nfs/dbraw/zinc/22/50/07/175225007.db2.gz PXONDZJGNRFOFT-UHFFFAOYSA-N -1 3 264.325 1.494 10 0 CDAEHM CC[C@H](C)[C@@H](NC(=O)NC[C@@H](C)N1CCCCC1)C(=O)[O-] ZINC000045013254 175290283 /nfs/dbraw/zinc/29/02/83/175290283.db2.gz GDFYGSIHOUIURF-YNEHKIRRSA-N -1 3 299.415 1.659 10 0 CDAEHM C[C@H](CNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)N(C)C ZINC000045112236 175310737 /nfs/dbraw/zinc/31/07/37/175310737.db2.gz LDAWECPRNOYGNI-NEPJUHHUSA-N -1 3 285.388 1.223 10 0 CDAEHM Cc1cccc(C(=O)N2CCC[C@@H](C(N)=S)C2)c1[O-] ZINC000079835294 177567399 /nfs/dbraw/zinc/56/73/99/177567399.db2.gz AZVFGGJMPVPMMA-SNVBAGLBSA-N -1 3 278.377 1.839 10 0 CDAEHM COc1ccc(F)c([N-]C(=O)c2csnn2)c1 ZINC000088211587 260302191 /nfs/dbraw/zinc/30/21/91/260302191.db2.gz JSOUWTFVCXHHRU-UHFFFAOYSA-N -1 3 253.258 1.938 10 0 CDAEHM O=S(=O)([N-][C@@H](C1CC1)C1CCOCC1)c1ccco1 ZINC000651821192 423772677 /nfs/dbraw/zinc/77/26/77/423772677.db2.gz GMKPMPPUQPTCPT-ZDUSSCGKSA-N -1 3 285.365 1.763 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C2(C3CCC3)CC2)c1 ZINC000651870528 423832406 /nfs/dbraw/zinc/83/24/06/423832406.db2.gz HQQWGQASWUYLQR-UHFFFAOYSA-N -1 3 269.370 1.514 10 0 CDAEHM NC(=O)[C@H]1C[C@@H](NCc2cccc([O-])c2Br)C1 ZINC000651939186 423936623 /nfs/dbraw/zinc/93/66/23/423936623.db2.gz XFYOGDSQQUSDDO-DTORHVGOSA-N -1 3 299.168 1.508 10 0 CDAEHM O=C(N[C@@H](C1CC1)C1CCOCC1)c1csc(=O)[n-]1 ZINC000652769625 424113992 /nfs/dbraw/zinc/11/39/92/424113992.db2.gz KXCFOXFNAWGLCW-NSHDSACASA-N -1 3 282.365 1.784 10 0 CDAEHM Cc1ccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)c([O-])c1 ZINC000662945304 424565974 /nfs/dbraw/zinc/56/59/74/424565974.db2.gz MJXBPZVVOCLYEF-GHMZBOCLSA-N -1 3 252.289 1.212 10 0 CDAEHM CC(C)[C@H](C)NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000072988751 424610084 /nfs/dbraw/zinc/61/00/84/424610084.db2.gz ZDXZWKUGRUJNGP-XNFYSYIQSA-N -1 3 258.321 1.932 10 0 CDAEHM Cc1nnsc1C(=O)[N-]c1nnc2cc(C)ccn21 ZINC000191449232 270290436 /nfs/dbraw/zinc/29/04/36/270290436.db2.gz SZTOHFRHYQGTJH-UHFFFAOYSA-N -1 3 274.309 1.450 10 0 CDAEHM CC(=O)N1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H](C)C1 ZINC000459365103 270394625 /nfs/dbraw/zinc/39/46/25/270394625.db2.gz MFHIITYCHIZZQM-JTQLQIEISA-N -1 3 290.367 1.112 10 0 CDAEHM O=C(CCc1ccccn1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527500159 270690819 /nfs/dbraw/zinc/69/08/19/270690819.db2.gz YZSMOUNWQUEFMC-CYBMUJFWSA-N -1 3 286.335 1.649 10 0 CDAEHM COc1cc(=NC(=O)[C@@H]2C[C@H]2c2ccsc2)[n-]n1C ZINC000529061359 270902150 /nfs/dbraw/zinc/90/21/50/270902150.db2.gz YNMGGOIEXKCNDH-VHSXEESVSA-N -1 3 277.349 1.654 10 0 CDAEHM CNC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000336920959 277015501 /nfs/dbraw/zinc/01/55/01/277015501.db2.gz RSYCLNAQYRRJFF-UHFFFAOYSA-N -1 3 299.286 1.352 10 0 CDAEHM COC(=O)c1cc(C(=O)N2CCOc3ccccc32)c[n-]1 ZINC000336141853 277149824 /nfs/dbraw/zinc/14/98/24/277149824.db2.gz ZQBICFPGCNPMIT-UHFFFAOYSA-N -1 3 286.287 1.841 10 0 CDAEHM COC(=O)[C@@H]1CCN(C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000048735935 279160353 /nfs/dbraw/zinc/16/03/53/279160353.db2.gz YSAMNKNIMNVRFG-LLVKDONJSA-N -1 3 277.320 1.644 10 0 CDAEHM CC(C)N(C)CCN=c1[n-]nc(C2CCOCC2)s1 ZINC000338662988 279355205 /nfs/dbraw/zinc/35/52/05/279355205.db2.gz RIHZSTCXWNIDOS-UHFFFAOYSA-N -1 3 284.429 1.606 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1 ZINC000252867398 280530904 /nfs/dbraw/zinc/53/09/04/280530904.db2.gz MXCLNRQZDKNIOY-DUFXMDAXSA-N -1 3 277.320 1.244 10 0 CDAEHM C[C@@H]1COCC[C@H]1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000195446153 288365786 /nfs/dbraw/zinc/36/57/86/288365786.db2.gz XRMHOBLPEUMCCE-PHDIDXHHSA-N -1 3 278.234 1.435 10 0 CDAEHM C[C@@H]1COCC[C@H]1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000195446153 288365787 /nfs/dbraw/zinc/36/57/87/288365787.db2.gz XRMHOBLPEUMCCE-PHDIDXHHSA-N -1 3 278.234 1.435 10 0 CDAEHM CN(C)[C@H]1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000174583330 289385462 /nfs/dbraw/zinc/38/54/62/289385462.db2.gz NWFBXESLOBJNCP-JTQLQIEISA-N -1 3 291.376 1.893 10 0 CDAEHM COc1cc(=NC(=O)CSCc2cccnc2)[n-]n1C ZINC000547861793 289816902 /nfs/dbraw/zinc/81/69/02/289816902.db2.gz CSSHTBDZMYGUOZ-UHFFFAOYSA-N -1 3 292.364 1.118 10 0 CDAEHM CCC[C@H](C(=O)N=c1cc(OC)n(C)[n-]1)C(C)C ZINC000548189737 289855877 /nfs/dbraw/zinc/85/58/77/289855877.db2.gz HCBYMMPOXLMSQY-JTQLQIEISA-N -1 3 253.346 1.861 10 0 CDAEHM O=C(NC1(CCO)CCCC1)c1cccc2nn[n-]c21 ZINC000552823544 290082584 /nfs/dbraw/zinc/08/25/84/290082584.db2.gz VHVNMIHJIUPNKG-UHFFFAOYSA-N -1 3 274.324 1.383 10 0 CDAEHM O=C(NC1(CCO)CCCC1)c1cccc2[n-]nnc21 ZINC000552823544 290082585 /nfs/dbraw/zinc/08/25/85/290082585.db2.gz VHVNMIHJIUPNKG-UHFFFAOYSA-N -1 3 274.324 1.383 10 0 CDAEHM O=C(NC1(CCO)CCCC1)c1cccc2n[n-]nc21 ZINC000552823544 290082587 /nfs/dbraw/zinc/08/25/87/290082587.db2.gz VHVNMIHJIUPNKG-UHFFFAOYSA-N -1 3 274.324 1.383 10 0 CDAEHM CC(C)(C)OCCNC(=O)N=c1cc2ccccn2[n-]1 ZINC000554421364 290158617 /nfs/dbraw/zinc/15/86/17/290158617.db2.gz SFUGWDZXEHLVBL-UHFFFAOYSA-N -1 3 276.340 1.693 10 0 CDAEHM COc1cc(=NC(=O)N2CCCC[C@@H]2C(F)F)[n-]n1C ZINC000554576006 290177813 /nfs/dbraw/zinc/17/78/13/290177813.db2.gz GCRQZVPMPYLQNI-MRVPVSSYSA-N -1 3 288.298 1.502 10 0 CDAEHM Cc1cc(CCNC(=O)c2cccc3nn[n-]c32)on1 ZINC000557679675 290364614 /nfs/dbraw/zinc/36/46/14/290364614.db2.gz PDHZGXAGRZBGTM-UHFFFAOYSA-N -1 3 271.280 1.227 10 0 CDAEHM Cc1cc(CCNC(=O)c2cccc3[n-]nnc32)on1 ZINC000557679675 290364615 /nfs/dbraw/zinc/36/46/15/290364615.db2.gz PDHZGXAGRZBGTM-UHFFFAOYSA-N -1 3 271.280 1.227 10 0 CDAEHM Cc1cc(CCNC(=O)c2cccc3n[n-]nc32)on1 ZINC000557679675 290364616 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/nfs/dbraw/zinc/46/21/78/347462178.db2.gz PQNRMMZDPSBIPW-LBPRGKRZSA-N -1 3 268.317 1.083 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@]2(O)CCCC(C)(C)C2)n1 ZINC000613196312 347462181 /nfs/dbraw/zinc/46/21/81/347462181.db2.gz PQNRMMZDPSBIPW-LBPRGKRZSA-N -1 3 268.317 1.083 10 0 CDAEHM Cc1cnc(C(=O)N2CC[C@@H](N3CCC3)[C@@H](F)C2)c([O-])c1 ZINC000614093043 347989363 /nfs/dbraw/zinc/98/93/63/347989363.db2.gz MXFKXWGGURBGNC-NWDGAFQWSA-N -1 3 293.342 1.354 10 0 CDAEHM COc1ccc(C(=O)N[C@@H]2CCC[C@H](O)C2)c([O-])c1 ZINC000614145736 348014527 /nfs/dbraw/zinc/01/45/27/348014527.db2.gz XGDPKMZKLMJQQU-ZJUUUORDSA-N -1 3 265.309 1.434 10 0 CDAEHM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)[N-]c1nnc2[nH]cnn12 ZINC000614996572 348298276 /nfs/dbraw/zinc/29/82/76/348298276.db2.gz MKZUSARKTIJWBA-CPCISQLKSA-N -1 3 296.281 1.607 10 0 CDAEHM CC(C)[C@H]1C[C@@H](CN=c2ncnc3[nH][n-]cc2-3)CCO1 ZINC000450735617 362879500 /nfs/dbraw/zinc/87/95/00/362879500.db2.gz GCHLFUKVTLDUAN-CMPLNLGQSA-N -1 3 275.356 1.590 10 0 CDAEHM CCN=c1[n-]c(C(=O)N(C(C)C)[C@H]2CCOC2)cs1 ZINC000615106444 348341541 /nfs/dbraw/zinc/34/15/41/348341541.db2.gz RVHSUPCQBHUGPB-JTQLQIEISA-N -1 3 283.397 1.636 10 0 CDAEHM CN(C)C(=O)CCCC(=O)[N-]OCc1ccc(F)cc1 ZINC000273418499 192143829 /nfs/dbraw/zinc/14/38/29/192143829.db2.gz IVSQCLDKJLQLFG-UHFFFAOYSA-N -1 3 282.315 1.632 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2CCC[C@H]2c2cn[nH]c2)cs1 ZINC000615888716 348949510 /nfs/dbraw/zinc/94/95/10/348949510.db2.gz MMSXVUHCOOGBOD-NSHDSACASA-N -1 3 291.380 1.697 10 0 CDAEHM CCOc1nc2ccc(C(=O)N3CCC34COC4)cc2[n-]1 ZINC000615923492 349010632 /nfs/dbraw/zinc/01/06/32/349010632.db2.gz NIZRYGLWIHTIJW-UHFFFAOYSA-N -1 3 287.319 1.577 10 0 CDAEHM CCOc1nc2cc(C(=O)N3CCC34COC4)ccc2[n-]1 ZINC000615923492 349010634 /nfs/dbraw/zinc/01/06/34/349010634.db2.gz NIZRYGLWIHTIJW-UHFFFAOYSA-N -1 3 287.319 1.577 10 0 CDAEHM O=C(NCC1CSC1)c1cc(F)cc2nn[n-]c21 ZINC000616050823 349269926 /nfs/dbraw/zinc/26/99/26/349269926.db2.gz HPKPQNRMNAHNDM-UHFFFAOYSA-N -1 3 266.301 1.190 10 0 CDAEHM 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CCN=c1[n-]c(C(=O)NCC[C@@H]2CC2(F)F)cs1 ZINC000622199271 351067377 /nfs/dbraw/zinc/06/73/77/351067377.db2.gz QTWVLJMEIUMQLY-SSDOTTSWSA-N -1 3 275.324 1.772 10 0 CDAEHM CCc1cc(C(=O)N2CC[C@@H](C(=O)OC)C2)ccc1[O-] ZINC000291370575 198003272 /nfs/dbraw/zinc/00/32/72/198003272.db2.gz AIOYWXRTHFOXCI-GFCCVEGCSA-N -1 3 277.320 1.590 10 0 CDAEHM Cn1cnc([N-]C(=O)c2cnc(-c3ccncc3)s2)n1 ZINC000356453187 282771992 /nfs/dbraw/zinc/77/19/92/282771992.db2.gz KBWPCEWETYMSQP-UHFFFAOYSA-N -1 3 286.320 1.586 10 0 CDAEHM Cc1cnn([C@@H]2CCN(C(=O)c3cccc([O-])c3)C2)c1 ZINC000291926347 198106827 /nfs/dbraw/zinc/10/68/27/198106827.db2.gz BKSRRBKHQQELJP-CYBMUJFWSA-N -1 3 271.320 1.984 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C[C@H](O)CC(C)(C)C ZINC000292040418 198142114 /nfs/dbraw/zinc/14/21/14/198142114.db2.gz DNESDQBUJJWJSP-QMMMGPOBSA-N -1 3 283.328 1.322 10 0 CDAEHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@H]2CC23CC3)ccc1F ZINC000570082700 363347531 /nfs/dbraw/zinc/34/75/31/363347531.db2.gz RXECCPDLMJMIQP-NSHDSACASA-N -1 3 298.339 1.480 10 0 CDAEHM O=c1cc(CN2CC[C@H](O)CC23CCC3)nc(C2CC2)[n-]1 ZINC000570196259 363421121 /nfs/dbraw/zinc/42/11/21/363421121.db2.gz CPXKOQMUUSLGOT-ZDUSSCGKSA-N -1 3 289.379 1.939 10 0 CDAEHM Cc1cccc(C(=O)N(C)[C@H]2CN3CCC2CC3)c1[O-] ZINC000336373448 363448237 /nfs/dbraw/zinc/44/82/37/363448237.db2.gz BTGKTQYEIQQQPK-AWEZNQCLSA-N -1 3 274.364 1.867 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000286331129 356257314 /nfs/dbraw/zinc/25/73/14/356257314.db2.gz OIQWCYTXUSYEHE-MRVWCRGKSA-N -1 3 291.347 1.394 10 0 CDAEHM CC1(C)CC(=O)[N-]N(c2ccnc(C(F)(F)F)c2)C1=O ZINC000634618482 356580935 /nfs/dbraw/zinc/58/09/35/356580935.db2.gz SPRLFEATNQXNHK-UHFFFAOYSA-N -1 3 287.241 1.895 10 0 CDAEHM CSCCc1noc(C=C([O-])c2ccnn2C)n1 ZINC000725257800 538452634 /nfs/dbraw/zinc/45/26/34/538452634.db2.gz XGSQLUQHBKWFDB-UHFFFAOYSA-N -1 3 266.326 1.134 10 0 CDAEHM CO[C@@]1(CO)CCCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000628062368 356719177 /nfs/dbraw/zinc/71/91/77/356719177.db2.gz DMCWQBKRGWICIN-HNNXBMFYSA-N -1 3 279.336 1.314 10 0 CDAEHM Cc1cc[nH]c1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000336451770 363579418 /nfs/dbraw/zinc/57/94/18/363579418.db2.gz UOZWCCVOEKRAEW-SNVBAGLBSA-N -1 3 260.297 1.572 10 0 CDAEHM Cc1ccc([O-])c(CN(CC(N)=O)C2CCCC2)n1 ZINC000132982534 538810096 /nfs/dbraw/zinc/81/00/96/538810096.db2.gz CVTROKAWRAQYFA-UHFFFAOYSA-N -1 3 263.341 1.326 10 0 CDAEHM CC1(CNC(=O)c2c[n-]c3ccccc3c2=O)COC1 ZINC000083522613 357251767 /nfs/dbraw/zinc/25/17/67/357251767.db2.gz MSAPLZOETPZEQA-UHFFFAOYSA-N -1 3 272.304 1.294 10 0 CDAEHM C[C@@H](C(=O)[N-]C1=NCCS1)n1c2ccccc2oc1=O ZINC000058537379 357405901 /nfs/dbraw/zinc/40/59/01/357405901.db2.gz GZKWGLOLCWLULP-QMMMGPOBSA-N -1 3 291.332 1.375 10 0 CDAEHM CCc1cc(C(=O)N[C@H]2CCCN(C)C2)ccc1[O-] ZINC000643974620 363582634 /nfs/dbraw/zinc/58/26/34/363582634.db2.gz BGHBPXTVJCVOFT-ZDUSSCGKSA-N -1 3 262.353 1.779 10 0 CDAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC2(C)C)cn1 ZINC000185337459 357533988 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366531063 /nfs/dbraw/zinc/53/10/63/366531063.db2.gz HMJLMHSPHVNVOA-UHFFFAOYSA-N -1 3 282.250 1.663 10 0 CDAEHM COc1n[n-]c(NC(=O)CCc2cccc(F)c2F)n1 ZINC000179373525 366531068 /nfs/dbraw/zinc/53/10/68/366531068.db2.gz HMJLMHSPHVNVOA-UHFFFAOYSA-N -1 3 282.250 1.663 10 0 CDAEHM CSc1nnc(NC(=O)[C@H]2CCC[C@@H](F)C2)[n-]1 ZINC000335197454 359035688 /nfs/dbraw/zinc/03/56/88/359035688.db2.gz MHEWSFQEUUWVOF-NKWVEPMBSA-N -1 3 258.322 1.993 10 0 CDAEHM CSc1n[n-]c(NC(=O)[C@H]2CCC[C@@H](F)C2)n1 ZINC000335197454 359035689 /nfs/dbraw/zinc/03/56/89/359035689.db2.gz MHEWSFQEUUWVOF-NKWVEPMBSA-N -1 3 258.322 1.993 10 0 CDAEHM CSc1nc(NC(=O)[C@H]2CCC[C@@H](F)C2)n[n-]1 ZINC000335197454 359035695 /nfs/dbraw/zinc/03/56/95/359035695.db2.gz MHEWSFQEUUWVOF-NKWVEPMBSA-N -1 3 258.322 1.993 10 0 CDAEHM C[C@H]1COCC[C@@H]1CNC(=O)NCc1ncccc1[O-] ZINC000347423402 359360723 /nfs/dbraw/zinc/36/07/23/359360723.db2.gz GOBXGELLTWGXKL-WDEREUQCSA-N -1 3 279.340 1.259 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-][C@H](C)[C@H](C)OC 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/nfs/dbraw/zinc/82/47/45/392824745.db2.gz FLZZASPFOODTQW-SECBINFHSA-N -1 3 260.284 1.544 10 0 CDAEHM Cc1cc(C[C@@H](C)[N-]C(=O)C(F)(F)C(F)F)[nH]n1 ZINC000269141009 132119655 /nfs/dbraw/zinc/11/96/55/132119655.db2.gz IFXMVOAOVJRRMH-RXMQYKEDSA-N -1 3 267.226 1.666 10 0 CDAEHM CC[C@H](OC)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000269404266 132165558 /nfs/dbraw/zinc/16/55/58/132165558.db2.gz XANJJCGHHZQSPP-VIFPVBQESA-N -1 3 263.301 1.174 10 0 CDAEHM CC[C@H](OC)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000269404266 132165559 /nfs/dbraw/zinc/16/55/59/132165559.db2.gz XANJJCGHHZQSPP-VIFPVBQESA-N -1 3 263.301 1.174 10 0 CDAEHM COC(=O)c1[n-]c(=NC[C@H](O)C2CCC2)sc1C ZINC000450919797 393006741 /nfs/dbraw/zinc/00/67/41/393006741.db2.gz QJPJUDRQJVGVMH-VIFPVBQESA-N -1 3 270.354 1.233 10 0 CDAEHM COc1cc(=NC(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)[n-]n1C ZINC000646364874 393012035 /nfs/dbraw/zinc/01/20/35/393012035.db2.gz RTMFVCWDKSAGHD-LPEHRKFASA-N -1 3 264.329 1.161 10 0 CDAEHM COc1cc(=NC(=O)NC[C@@H](C)CC(F)F)[n-]n1C ZINC000646364769 393022060 /nfs/dbraw/zinc/02/20/60/393022060.db2.gz LISRKJRVJWSTJI-ZETCQYMHSA-N -1 3 276.287 1.263 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000649228834 393118572 /nfs/dbraw/zinc/11/85/72/393118572.db2.gz BRFDUZOBJQSVEQ-NWDGAFQWSA-N -1 3 287.367 1.739 10 0 CDAEHM CCCc1nnc([N-]C(=O)c2cccnc2C(N)=O)s1 ZINC000495109478 393180351 /nfs/dbraw/zinc/18/03/51/393180351.db2.gz GJUAFWBBAOPPEQ-UHFFFAOYSA-N -1 3 291.336 1.237 10 0 CDAEHM CO[C@@H]1CC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000191794514 393124206 /nfs/dbraw/zinc/12/42/06/393124206.db2.gz NYGSHYYTSFSULA-GHMZBOCLSA-N -1 3 282.315 1.898 10 0 CDAEHM C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459414166 393148740 /nfs/dbraw/zinc/14/87/40/393148740.db2.gz QCGBAOGUJNOWIS-DDFAGTSDSA-N -1 3 277.368 1.793 10 0 CDAEHM CN(CCCO)Cc1cccc([O-])c1Br ZINC000459522994 393209116 /nfs/dbraw/zinc/20/91/16/393209116.db2.gz GODVDEHJLKDLNN-UHFFFAOYSA-N -1 3 274.158 1.969 10 0 CDAEHM O=C(c1ccc2n[n-]nc2c1)N1CC2(C1)CCOCC2 ZINC000646008106 393471995 /nfs/dbraw/zinc/47/19/95/393471995.db2.gz CIQDMVVGXDCBPE-UHFFFAOYSA-N -1 3 272.308 1.211 10 0 CDAEHM Cc1ncc(C(=O)N2CCCc3ccccc32)c(=O)[n-]1 ZINC000082322474 135006720 /nfs/dbraw/zinc/00/67/20/135006720.db2.gz JOXDOMPYCNNYJC-UHFFFAOYSA-N -1 3 269.304 1.671 10 0 CDAEHM CO[C@@H]1CN([C@H](C)C(=O)[N-]c2cc(C)no2)CC[C@H]1C ZINC000251530508 140309251 /nfs/dbraw/zinc/30/92/51/140309251.db2.gz DDPQDBMPBGNTMB-YUSALJHKSA-N -1 3 281.356 1.667 10 0 CDAEHM O=c1nc(CN2CCN3CCC[C@H]3C2)[n-]c2ccsc21 ZINC000253540435 140334100 /nfs/dbraw/zinc/33/41/00/140334100.db2.gz XYBXCEAAHCDRFJ-JTQLQIEISA-N -1 3 290.392 1.677 10 0 CDAEHM CC1CCC(NC(=O)CN(C)CCCC(=O)[O-])CC1 ZINC000042716972 397614871 /nfs/dbraw/zinc/61/48/71/397614871.db2.gz GHAPRHWAVULXED-UHFFFAOYSA-N -1 3 270.373 1.478 10 0 CDAEHM [O-]c1cccc(CN[C@@H]2CCCN(CCO)C2)c1Cl ZINC000384793895 397963291 /nfs/dbraw/zinc/96/32/91/397963291.db2.gz XGNBAPHJRZJQCV-GFCCVEGCSA-N -1 3 284.787 1.592 10 0 CDAEHM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1ncccc1[O-] ZINC000094440259 147090189 /nfs/dbraw/zinc/09/01/89/147090189.db2.gz OBAOEZWFYURZMK-VXGBXAGGSA-N -1 3 275.352 1.486 10 0 CDAEHM COc1nnc(NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)[n-]1 ZINC000179373472 148111035 /nfs/dbraw/zinc/11/10/35/148111035.db2.gz VSUCVIQTRJMZTI-LURJTMIESA-N -1 3 298.249 1.498 10 0 CDAEHM COc1nc(NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)n[n-]1 ZINC000179373472 148111039 /nfs/dbraw/zinc/11/10/39/148111039.db2.gz VSUCVIQTRJMZTI-LURJTMIESA-N -1 3 298.249 1.498 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)n1 ZINC000179373472 148111042 /nfs/dbraw/zinc/11/10/42/148111042.db2.gz VSUCVIQTRJMZTI-LURJTMIESA-N -1 3 298.249 1.498 10 0 CDAEHM Cn1ncnc1[N-]C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000181635450 148215299 /nfs/dbraw/zinc/21/52/99/148215299.db2.gz WJWODWWPPHFIPK-UHFFFAOYSA-N -1 3 284.283 1.244 10 0 CDAEHM CO[C@H]1CCCC[C@@H]1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000294475157 286027802 /nfs/dbraw/zinc/02/78/02/286027802.db2.gz HAZHNAIRDZWWSA-BQBZGAKWSA-N -1 3 292.261 1.967 10 0 CDAEHM CO[C@H]1CCCC[C@@H]1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000294475157 286027803 /nfs/dbraw/zinc/02/78/03/286027803.db2.gz HAZHNAIRDZWWSA-BQBZGAKWSA-N -1 3 292.261 1.967 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCC[C@@H](CO)C1 ZINC000311503052 149215532 /nfs/dbraw/zinc/21/55/32/149215532.db2.gz PTMWLCAAOPVDCD-MNOVXSKESA-N -1 3 288.369 1.121 10 0 CDAEHM CNC(=O)C1CN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000334176060 149332934 /nfs/dbraw/zinc/33/29/34/149332934.db2.gz CDQKLHMNEAVMOX-UHFFFAOYSA-N -1 3 288.347 1.089 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1cccc(-n2cccn2)n1 ZINC000352515247 155241248 /nfs/dbraw/zinc/24/12/48/155241248.db2.gz FPSZSIWTYFZSQB-UHFFFAOYSA-N -1 3 295.302 1.298 10 0 CDAEHM Cc1cn2cc(C(=O)NCc3ncccc3[O-])sc2n1 ZINC000352517313 155242704 /nfs/dbraw/zinc/24/27/04/155242704.db2.gz PBCILXQVVWHNOL-UHFFFAOYSA-N -1 3 288.332 1.735 10 0 CDAEHM Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCc1ncccc1[O-] ZINC000352516059 155242827 /nfs/dbraw/zinc/24/28/27/155242827.db2.gz JIZHBGGNEINPBK-SECBINFHSA-N -1 3 288.351 1.937 10 0 CDAEHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3C[C@H]3C2)c(F)c1 ZINC000335084258 150273202 /nfs/dbraw/zinc/27/32/02/150273202.db2.gz BMIVILKHDVTCRC-ILWJIGKKSA-N -1 3 285.340 1.911 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(C)n(C)c2=O)o1 ZINC000335811992 151041223 /nfs/dbraw/zinc/04/12/23/151041223.db2.gz LAWNMQNYLOWDBA-UHFFFAOYSA-N -1 3 296.348 1.074 10 0 CDAEHM CC[C@@H]1[C@H](CO)CCN1C(=O)c1ccc([O-])c(C)c1 ZINC000335899554 151095802 /nfs/dbraw/zinc/09/58/02/151095802.db2.gz JULYLJJJTKRSQI-QWHCGFSZSA-N -1 3 263.337 1.934 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCSC2)o1 ZINC000336139427 151303539 /nfs/dbraw/zinc/30/35/39/151303539.db2.gz RKDIFGQMQWDQFR-SECBINFHSA-N -1 3 261.368 1.762 10 0 CDAEHM CCC[C@@H](C)CS(=O)(=O)[N-]Cc1noc(C2CC2)n1 ZINC000343097936 152030722 /nfs/dbraw/zinc/03/07/22/152030722.db2.gz QCRCNEPUIAVMEJ-SECBINFHSA-N -1 3 287.385 1.803 10 0 CDAEHM COC1(CNC(=O)NCc2ncccc2[O-])CCC1 ZINC000349767402 154209766 /nfs/dbraw/zinc/20/97/66/154209766.db2.gz FJAGICYCTXCCBR-UHFFFAOYSA-N -1 3 265.313 1.156 10 0 CDAEHM CO[C@H]1CCCC[C@@H]1C(=O)NCc1ncccc1[O-] ZINC000352212715 155026747 /nfs/dbraw/zinc/02/67/47/155026747.db2.gz RKNXDOJZWMCIMB-GWCFXTLKSA-N -1 3 264.325 1.609 10 0 CDAEHM C[C@@H](O)CCNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000355012891 156787222 /nfs/dbraw/zinc/78/72/22/156787222.db2.gz IMXMXQKSUQZVOQ-SSDOTTSWSA-N -1 3 296.273 1.307 10 0 CDAEHM CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000656484242 413338712 /nfs/dbraw/zinc/33/87/12/413338712.db2.gz OAIPYVSWENOUKZ-FRRDWIJNSA-N -1 3 294.395 1.642 10 0 CDAEHM COc1nnc(NC(=O)c2cc3cc(F)ccc3[nH]2)[n-]1 ZINC000355609262 157143561 /nfs/dbraw/zinc/14/35/61/157143561.db2.gz SQMBEGNRYASLHQ-UHFFFAOYSA-N -1 3 275.243 1.686 10 0 CDAEHM COc1nc(NC(=O)c2cc3cc(F)ccc3[nH]2)n[n-]1 ZINC000355609262 157143563 /nfs/dbraw/zinc/14/35/63/157143563.db2.gz SQMBEGNRYASLHQ-UHFFFAOYSA-N -1 3 275.243 1.686 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cc3cc(F)ccc3[nH]2)n1 ZINC000355609262 157143565 /nfs/dbraw/zinc/14/35/65/157143565.db2.gz SQMBEGNRYASLHQ-UHFFFAOYSA-N -1 3 275.243 1.686 10 0 CDAEHM COc1nc(NC(=O)CO[C@@H]2CCCC[C@H]2C)n[n-]1 ZINC000355637558 157158807 /nfs/dbraw/zinc/15/88/07/157158807.db2.gz ZKTZEYIYVSSRIG-RKDXNWHRSA-N -1 3 268.317 1.347 10 0 CDAEHM COc1nnc(NC(=O)CO[C@@H]2CCCC[C@H]2C)[n-]1 ZINC000355637558 157158811 /nfs/dbraw/zinc/15/88/11/157158811.db2.gz ZKTZEYIYVSSRIG-RKDXNWHRSA-N -1 3 268.317 1.347 10 0 CDAEHM COc1n[n-]c(NC(=O)CO[C@@H]2CCCC[C@H]2C)n1 ZINC000355637558 157158815 /nfs/dbraw/zinc/15/88/15/157158815.db2.gz ZKTZEYIYVSSRIG-RKDXNWHRSA-N -1 3 268.317 1.347 10 0 CDAEHM C[C@@H](OCC(=O)Nc1ccc([O-])cc1F)c1nccn1C ZINC000355914553 157282528 /nfs/dbraw/zinc/28/25/28/157282528.db2.gz SAKDYCMLGCEKTE-SECBINFHSA-N -1 3 293.298 1.981 10 0 CDAEHM COc1ccc(-n2cc(C[N-]C(=O)C(C)(F)F)nn2)cc1 ZINC000377353530 160547731 /nfs/dbraw/zinc/54/77/31/160547731.db2.gz ZSCKQNYGRAVADP-UHFFFAOYSA-N -1 3 296.277 1.547 10 0 CDAEHM Cc1ccc([O-])c(CN2CCO[C@@H]([C@H]3CCCO3)C2)n1 ZINC000362336801 159124230 /nfs/dbraw/zinc/12/42/30/159124230.db2.gz QBWJABYFQONOII-HUUCEWRRSA-N -1 3 278.352 1.475 10 0 CDAEHM COc1cccc(C(=O)N2CC(F)(F)C[C@H]2CO)c1[O-] ZINC000372500677 160126561 /nfs/dbraw/zinc/12/65/61/160126561.db2.gz DMLDQFJMSHVNRH-QMMMGPOBSA-N -1 3 287.262 1.243 10 0 CDAEHM CCOc1nnc(NC(=O)C[C@@H]2CCCC[C@H]2O)[n-]1 ZINC001587743853 1172997651 /nfs/dbraw/zinc/99/76/51/1172997651.db2.gz DOJIVTNVLLMBSN-DTWKUNHWSA-N -1 3 268.317 1.083 10 0 CDAEHM CCOc1nc(NC(=O)C[C@@H]2CCCC[C@H]2O)n[n-]1 ZINC001587743853 1172997654 /nfs/dbraw/zinc/99/76/54/1172997654.db2.gz DOJIVTNVLLMBSN-DTWKUNHWSA-N -1 3 268.317 1.083 10 0 CDAEHM CCOc1n[n-]c(NC(=O)C[C@@H]2CCCC[C@H]2O)n1 ZINC001587743853 1172997657 /nfs/dbraw/zinc/99/76/57/1172997657.db2.gz DOJIVTNVLLMBSN-DTWKUNHWSA-N -1 3 268.317 1.083 10 0 CDAEHM O=c1c(Nc2ccc(Cl)cc2)c([O-])nc2n1CCS2 ZINC000005462886 170101814 /nfs/dbraw/zinc/10/18/14/170101814.db2.gz RIXDUCNZSMWCDS-SECBINFHSA-N -1 3 295.751 1.592 10 0 CDAEHM CCc1ncc(S(=O)(=O)[N-]CC[C@@H]2CCOC2)s1 ZINC000546597995 289732781 /nfs/dbraw/zinc/73/27/81/289732781.db2.gz DTCVOIDOVLKBMR-SECBINFHSA-N -1 3 290.410 1.410 10 0 CDAEHM NCc1ccccc1S(=O)(=O)[N-]c1ccccc1 ZINC000022169374 171367206 /nfs/dbraw/zinc/36/72/06/171367206.db2.gz RSFWJIOVWNTSEU-UHFFFAOYSA-N -1 3 262.334 1.946 10 0 CDAEHM NCc1cccc(S(=O)(=O)[N-]c2ccncc2)c1 ZINC000022210444 171373605 /nfs/dbraw/zinc/37/36/05/171373605.db2.gz MTPRYTPBJVOPMP-UHFFFAOYSA-N -1 3 263.322 1.341 10 0 CDAEHM CCN(C(=O)CSC[C@H](N)C(=O)[O-])C1=CCCCC1 ZINC000035185351 172039213 /nfs/dbraw/zinc/03/92/13/172039213.db2.gz PWLDTOCQCOUGPE-NSHDSACASA-N -1 3 286.397 1.438 10 0 CDAEHM CC[C@@H](CO)[N-]S(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000035599268 172287889 /nfs/dbraw/zinc/28/78/89/172287889.db2.gz WDUDPIBPVPOKMU-ZETCQYMHSA-N -1 3 296.751 1.111 10 0 CDAEHM Cc1cc(CS(=O)(=O)[N-]C[C@@H](O)c2ccccc2)no1 ZINC000035611588 172298171 /nfs/dbraw/zinc/29/81/71/172298171.db2.gz DCLQFWZRFLRGJF-CYBMUJFWSA-N -1 3 296.348 1.136 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccn(C(C)(C)C)n1 ZINC000654877355 413781652 /nfs/dbraw/zinc/78/16/52/413781652.db2.gz QDYVYUUIGFMQDF-UHFFFAOYSA-N -1 3 291.311 1.400 10 0 CDAEHM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H](N)C(C)C ZINC000037046800 172913559 /nfs/dbraw/zinc/91/35/59/172913559.db2.gz QNEKVQICXRZEFS-LLVKDONJSA-N -1 3 250.298 1.615 10 0 CDAEHM Cc1cc(CS(=O)(=O)[N-]C[C@@]2(C)CC2(F)F)no1 ZINC000657154595 413985389 /nfs/dbraw/zinc/98/53/89/413985389.db2.gz AOPOZYWRRPRZEC-SECBINFHSA-N -1 3 280.296 1.448 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CCCC2CCC2)c1 ZINC000657158347 413986266 /nfs/dbraw/zinc/98/62/66/413986266.db2.gz WECSQUVRZVKPDZ-UHFFFAOYSA-N -1 3 271.386 1.762 10 0 CDAEHM Cc1cc([N-]C(=O)[C@H](C)N2CC[C@H](O)C(F)(F)C2)on1 ZINC000661401199 414057928 /nfs/dbraw/zinc/05/79/28/414057928.db2.gz VYLRBFLULDAYTI-IUCAKERBSA-N -1 3 289.282 1.012 10 0 CDAEHM Cn1cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c(C2CC2)n1 ZINC000655097873 414031706 /nfs/dbraw/zinc/03/17/06/414031706.db2.gz GFAIHHMLTGJAKJ-UHFFFAOYSA-N -1 3 299.334 1.923 10 0 CDAEHM Cc1ccc(C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)c([O-])c1 ZINC000285672748 196361986 /nfs/dbraw/zinc/36/19/86/196361986.db2.gz BCPHUYYXKLJGDN-SMDDNHRTSA-N -1 3 295.379 1.588 10 0 CDAEHM CCC[C@](C)(N)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663279728 414117168 /nfs/dbraw/zinc/11/71/68/414117168.db2.gz LAQNYDKWYOUMGU-MFKMUULPSA-N -1 3 256.346 1.121 10 0 CDAEHM O=c1cc(CN2CC[C@H]3COC[C@@H]3C2)nc(C2CC2)[n-]1 ZINC000662032419 414478137 /nfs/dbraw/zinc/47/81/37/414478137.db2.gz YRUXIXSVWGYSHX-RYUDHWBXSA-N -1 3 275.352 1.528 10 0 CDAEHM CCCCCOC(=S)[N-][C@@]1(C)CCS(=O)(=O)C1 ZINC000040166912 174198055 /nfs/dbraw/zinc/19/80/55/174198055.db2.gz PGADELCIUJIYIB-NSHDSACASA-N -1 3 279.427 1.645 10 0 CDAEHM O=S1(=O)CC[C@H]([N-]C(=S)OCc2ccccc2)C1 ZINC000040167354 174199061 /nfs/dbraw/zinc/19/90/61/174199061.db2.gz YOJZFDMUGHGETF-NSHDSACASA-N -1 3 285.390 1.265 10 0 CDAEHM CC[C@H](CO)[N-]S(=O)(=O)c1cc(N)c(F)cc1Cl ZINC000040314693 174232542 /nfs/dbraw/zinc/23/25/42/174232542.db2.gz DBHOGKXDXHGFKO-ZCFIWIBFSA-N -1 3 296.751 1.111 10 0 CDAEHM CC(C)[C@@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000040469713 174278148 /nfs/dbraw/zinc/27/81/48/174278148.db2.gz FHONBMRWKOPEBU-CHWSQXEVSA-N -1 3 276.336 1.008 10 0 CDAEHM CCCC[C@@H](N)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000040481819 174285741 /nfs/dbraw/zinc/28/57/41/174285741.db2.gz OILDQXLTQUFUTJ-LLVKDONJSA-N -1 3 270.373 1.798 10 0 CDAEHM NC1(C(=O)NC2(C(=O)[O-])CCCCCC2)CCCC1 ZINC000040481814 174285750 /nfs/dbraw/zinc/28/57/50/174285750.db2.gz UUZQPRDKMQWWCZ-UHFFFAOYSA-N -1 3 268.357 1.552 10 0 CDAEHM CC[C@@H](N)C(=O)N(CCC(=O)[O-])c1ccccc1C ZINC000040483957 174287614 /nfs/dbraw/zinc/28/76/14/174287614.db2.gz ZYSYGXIMTVKSHA-LLVKDONJSA-N -1 3 264.325 1.540 10 0 CDAEHM CNCC(=O)N(CCC(=O)[O-])c1ccccc1C ZINC000040483947 174287840 /nfs/dbraw/zinc/28/78/40/174287840.db2.gz XYMKBUNTBJNXOW-UHFFFAOYSA-N -1 3 250.298 1.022 10 0 CDAEHM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H](N)Cc1ccccc1 ZINC000040485891 174289294 /nfs/dbraw/zinc/28/92/94/174289294.db2.gz FZCSADBWDFPQQT-AAEUAGOBSA-N -1 3 278.352 1.268 10 0 CDAEHM CC(C)C[C@@H](NCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000043442627 175046603 /nfs/dbraw/zinc/04/66/03/175046603.db2.gz BUQATLXMZAPLIK-GFCCVEGCSA-N -1 3 290.319 1.329 10 0 CDAEHM C[C@@](N)(C(=O)N1CCc2sccc2[C@@H]1C(=O)[O-])C1CC1 ZINC000044592640 175213438 /nfs/dbraw/zinc/21/34/38/175213438.db2.gz PYWCTWBUITZTQG-RISCZKNCSA-N -1 3 294.376 1.386 10 0 CDAEHM CC[C@H](C)[C@@H](N)C(=O)N1CCc2sccc2[C@@H]1C(=O)[O-] ZINC000044592608 175213649 /nfs/dbraw/zinc/21/36/49/175213649.db2.gz GIVROAARMWFAHQ-XXILOJSOSA-N -1 3 296.392 1.632 10 0 CDAEHM CC[C@H](C(=O)[O-])N(C)Cc1cc(=O)n2c(C)csc2n1 ZINC000044619743 175219191 /nfs/dbraw/zinc/21/91/91/175219191.db2.gz QYHBNEIAFGEFCX-SNVBAGLBSA-N -1 3 295.364 1.359 10 0 CDAEHM CC(C)(C)N(CCC(=O)[O-])C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044680969 175229292 /nfs/dbraw/zinc/22/92/92/175229292.db2.gz ZWLIUQMLGBEXTI-NSHDSACASA-N -1 3 297.399 1.508 10 0 CDAEHM C[C@@H](Cn1cnnc1SCC(=O)[O-])N1CCCCC1 ZINC000045005292 175288488 /nfs/dbraw/zinc/28/84/88/175288488.db2.gz XUWUFQQRLZQGOS-JTQLQIEISA-N -1 3 284.385 1.329 10 0 CDAEHM Cc1cc(C[N-]S(=O)(=O)c2ccc([C@H](C)O)cc2)on1 ZINC000045015090 175290947 /nfs/dbraw/zinc/29/09/47/175290947.db2.gz QFXSPEHBGYYGGV-JTQLQIEISA-N -1 3 296.348 1.515 10 0 CDAEHM N[C@H](CC(=O)N[C@H]1CCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000070524701 175969471 /nfs/dbraw/zinc/96/94/71/175969471.db2.gz FLAWHFLVVKGFIJ-XQQFMLRXSA-N -1 3 276.336 1.446 10 0 CDAEHM C/C(C(=O)[O-])=C(\C)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000071165933 176048641 /nfs/dbraw/zinc/04/86/41/176048641.db2.gz TZEYQFFVCDTWHD-NLYDNYMLSA-N -1 3 266.341 1.104 10 0 CDAEHM Nc1nc(-c2cc(Br)cs2)cc(=O)[n-]1 ZINC000071611425 176231884 /nfs/dbraw/zinc/23/18/84/176231884.db2.gz HLTGMAHNMZGYGR-UHFFFAOYSA-N -1 3 272.127 1.843 10 0 CDAEHM CC(C)(C)OC(=O)[C@@H](C(=O)[O-])[C@@H](N)Cc1ccco1 ZINC000071613430 176233320 /nfs/dbraw/zinc/23/33/20/176233320.db2.gz HLKLYDGVFQESBD-VHSXEESVSA-N 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WEHSIVCNGHEGHB-VIFPVBQESA-N -1 3 299.801 1.077 10 0 CDAEHM COc1cccc(S(=O)(=O)[N-]C[C@H](O)C(C)C)c1F ZINC000655521097 424491691 /nfs/dbraw/zinc/49/16/91/424491691.db2.gz CWTPVJGDZVQUIQ-VIFPVBQESA-N -1 3 291.344 1.130 10 0 CDAEHM COc1ncc(CN(CCC(=O)[O-])CC2CC2)c(C)n1 ZINC000652467117 424464379 /nfs/dbraw/zinc/46/43/79/424464379.db2.gz LOGRFJOLNUWKPW-UHFFFAOYSA-N -1 3 279.340 1.480 10 0 CDAEHM [O-]c1cccnc1CNCc1cc2n(n1)CCCC2 ZINC000655768665 424540244 /nfs/dbraw/zinc/54/02/44/424540244.db2.gz LSIFCUGANFMCQJ-UHFFFAOYSA-N -1 3 258.325 1.610 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CCCC2CC2)nc1=N ZINC000651976542 424551292 /nfs/dbraw/zinc/55/12/92/424551292.db2.gz REVBVKSDOGTLDE-LLVKDONJSA-N -1 3 277.372 1.471 10 0 CDAEHM COc1cccc(S(=O)(=O)[N-][C@@H]2CCCOC2)c1F ZINC000655502276 424657728 /nfs/dbraw/zinc/65/77/28/424657728.db2.gz GVDRFEPLDBFURE-SECBINFHSA-N -1 3 289.328 1.292 10 0 CDAEHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2C[C@H]2C)c([O-])c1 ZINC000171187689 270243834 /nfs/dbraw/zinc/24/38/34/270243834.db2.gz CLPYKRAFUAXNBB-PWSUYJOCSA-N -1 3 276.336 1.345 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@@H]2CS[C@@H](C)C2)sc1C ZINC000397834694 270351601 /nfs/dbraw/zinc/35/16/01/270351601.db2.gz OGMRUBWYEWFQIP-XPUUQOCRSA-N -1 3 272.395 1.966 10 0 CDAEHM CCOC(=O)c1csc(=NC[C@H](C)C[C@H](C)O)[n-]1 ZINC000397830361 270351777 /nfs/dbraw/zinc/35/17/77/270351777.db2.gz KKMFCLOASMCCQP-BDAKNGLRSA-N -1 3 272.370 1.561 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@](C)(CO)C(C)C)c1 ZINC000398484074 270354900 /nfs/dbraw/zinc/35/49/00/270354900.db2.gz YGIWKGWFTYEXGW-CQSZACIVSA-N -1 3 267.325 1.538 10 0 CDAEHM CCC(C)(C)OC1CN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000529809689 271046779 /nfs/dbraw/zinc/04/67/79/271046779.db2.gz QQIMZVQLQNNIEQ-UHFFFAOYSA-N -1 3 288.351 1.988 10 0 CDAEHM CO[C@@]1(C(=O)[O-])CCN(CCOCC2CCCC2)C1 ZINC000530170170 271126878 /nfs/dbraw/zinc/12/68/78/271126878.db2.gz PZIJHMIYTKVORZ-AWEZNQCLSA-N -1 3 271.357 1.369 10 0 CDAEHM COc1nnc(NC(=O)[C@H]2CCCc3sccc32)[n-]1 ZINC000129409984 278085298 /nfs/dbraw/zinc/08/52/98/278085298.db2.gz VSMLVCQBIOGGIV-QMMMGPOBSA-N -1 3 278.337 1.933 10 0 CDAEHM COc1nc(NC(=O)[C@H]2CCCc3sccc32)n[n-]1 ZINC000129409984 278085299 /nfs/dbraw/zinc/08/52/99/278085299.db2.gz VSMLVCQBIOGGIV-QMMMGPOBSA-N -1 3 278.337 1.933 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H]2CCCc3sccc32)n1 ZINC000129409984 278085300 /nfs/dbraw/zinc/08/53/00/278085300.db2.gz VSMLVCQBIOGGIV-QMMMGPOBSA-N -1 3 278.337 1.933 10 0 CDAEHM CCN1CCN(CC(=O)Nc2cc(F)ccc2[O-])CC1 ZINC000088403522 279258036 /nfs/dbraw/zinc/25/80/36/279258036.db2.gz KAMOPPGAFSWFEZ-UHFFFAOYSA-N -1 3 281.331 1.107 10 0 CDAEHM O=C(Cc1ccsc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000194731097 280052077 /nfs/dbraw/zinc/05/20/77/280052077.db2.gz MQQZAJWCOPCQGL-UHFFFAOYSA-N -1 3 299.359 1.787 10 0 CDAEHM O=C(Cc1ccsc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000194731097 280052078 /nfs/dbraw/zinc/05/20/78/280052078.db2.gz MQQZAJWCOPCQGL-UHFFFAOYSA-N -1 3 299.359 1.787 10 0 CDAEHM C[C@@H]1CCN[C@@H](C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC000228161899 280108288 /nfs/dbraw/zinc/10/82/88/280108288.db2.gz IKPPWTBCKYAQOH-GRYCIOLGSA-N -1 3 268.357 1.088 10 0 CDAEHM O=C1[N-]C2=Nc3ccc(Cl)c(Cl)c3CN2[C@@H]1O ZINC000022060295 280284512 /nfs/dbraw/zinc/28/45/12/280284512.db2.gz KAXTUTDKZVOONF-SECBINFHSA-N -1 3 272.091 1.245 10 0 world CDAEHM CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000336613468 280369465 /nfs/dbraw/zinc/36/94/65/280369465.db2.gz WUBYDRCMZMHTAD-PWSUYJOCSA-N -1 3 293.367 1.431 10 0 CDAEHM COC(=O)CC1(NCc2nc(=O)c3sccc3[n-]2)CC1 ZINC000517153321 280980359 /nfs/dbraw/zinc/98/03/59/280980359.db2.gz BWINWLCHLZALIW-UHFFFAOYSA-N -1 3 293.348 1.582 10 0 CDAEHM CCC[C@@H](C(=O)N=c1cc(OC)n(C)[n-]1)c1ccccn1 ZINC000519788735 281036502 /nfs/dbraw/zinc/03/65/02/281036502.db2.gz WZYXVPRDQYXBPH-LLVKDONJSA-N -1 3 288.351 1.768 10 0 CDAEHM COc1cc(=NC(=O)N[C@@H](C(C)C)C(F)(F)F)[n-]n1C ZINC000527306817 281122715 /nfs/dbraw/zinc/12/27/15/281122715.db2.gz RLUFYVDGBNFAEB-VIFPVBQESA-N -1 3 294.277 1.559 10 0 CDAEHM O=C(NCc1ncccc1[O-])[C@@H]1CCC(=O)c2cccn21 ZINC000527481323 281143565 /nfs/dbraw/zinc/14/35/65/281143565.db2.gz UXZLEUPJMOEAGQ-LBPRGKRZSA-N -1 3 285.303 1.423 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@@]23C[C@@H]2COC3(C)C)c1 ZINC000529786481 281360369 /nfs/dbraw/zinc/36/03/69/281360369.db2.gz SAPZKWCNJAEXTH-PSLIRLAXSA-N -1 3 277.320 1.698 10 0 CDAEHM CN(C)S(=O)(=O)N=c1[n-]c2c(s1)CCCC2 ZINC000289767637 289264711 /nfs/dbraw/zinc/26/47/11/289264711.db2.gz NPKXNWWBFQWHBN-UHFFFAOYSA-N -1 3 261.372 1.240 10 0 CDAEHM O=C(NC[C@H](O)COc1ccccc1)c1cccc([O-])c1 ZINC000540958972 289474603 /nfs/dbraw/zinc/47/46/03/289474603.db2.gz KIIRBAIOTXHIDR-AWEZNQCLSA-N -1 3 287.315 1.562 10 0 CDAEHM Cc1cnc(C(=O)N2CC[C@@H](N3CCCC3)C2)c([O-])c1 ZINC000545175348 289663913 /nfs/dbraw/zinc/66/39/13/289663913.db2.gz RQBFHLISJNNCMQ-GFCCVEGCSA-N -1 3 275.352 1.406 10 0 CDAEHM COc1cc(=NC(=O)Cn2c(C)nc3ccccc32)[n-]n1C ZINC000547492738 289780316 /nfs/dbraw/zinc/78/03/16/289780316.db2.gz VRGYATWLKJHRAF-UHFFFAOYSA-N -1 3 299.334 1.147 10 0 CDAEHM COc1cc(=NC(=O)N2CC[C@H](C)[C@H](C)C2)[n-]n1C ZINC000547520631 289784179 /nfs/dbraw/zinc/78/41/79/289784179.db2.gz BGHYHAPPHMBSOB-VHSXEESVSA-N -1 3 266.345 1.360 10 0 CDAEHM COc1cc(=NC(=O)[C@@]2(C)CCc3ccccc3C2)[n-]n1C ZINC000547816018 289811999 /nfs/dbraw/zinc/81/19/99/289811999.db2.gz SXVWJLALCRHLAJ-KRWDZBQOSA-N -1 3 299.374 1.984 10 0 CDAEHM COc1cc(=NC(=O)Cc2ccccc2OC)[n-]n1C ZINC000548145617 289850637 /nfs/dbraw/zinc/85/06/37/289850637.db2.gz LIQLNDPPFBRBOD-UHFFFAOYSA-N -1 3 275.308 1.040 10 0 CDAEHM O=C(c1cccc2[n-]nnc21)N1CCC[C@]2(CCOC2)C1 ZINC000556686562 290281086 /nfs/dbraw/zinc/28/10/86/290281086.db2.gz GAEYXUSQOALEHJ-HNNXBMFYSA-N -1 3 286.335 1.601 10 0 CDAEHM O=C(c1cccc2nn[n-]c21)N1CCC[C@]2(CCOC2)C1 ZINC000556686562 290281088 /nfs/dbraw/zinc/28/10/88/290281088.db2.gz GAEYXUSQOALEHJ-HNNXBMFYSA-N -1 3 286.335 1.601 10 0 CDAEHM O=C(c1cccc2n[n-]nc21)N1CCC[C@]2(CCOC2)C1 ZINC000556686562 290281090 /nfs/dbraw/zinc/28/10/90/290281090.db2.gz GAEYXUSQOALEHJ-HNNXBMFYSA-N 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/nfs/dbraw/zinc/29/64/35/817296435.db2.gz NGYQLCHERTWJHJ-GHMZBOCLSA-N -1 3 289.335 1.787 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C2C[C@@H](C)O[C@H](C)C2)nn1 ZINC000867041351 817378994 /nfs/dbraw/zinc/37/89/94/817378994.db2.gz PHHUOQRUPGUAQK-NXEZZACHSA-N -1 3 285.369 1.019 10 0 CDAEHM Cc1n[nH]cc1S(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000808346644 817473557 /nfs/dbraw/zinc/47/35/57/817473557.db2.gz JGAXEKVZJMUYHX-UHFFFAOYSA-N -1 3 279.312 1.574 10 0 CDAEHM O=C([N-][C@@H]1COCCC1=O)C(F)(F)c1ccccc1F ZINC000862934887 817707571 /nfs/dbraw/zinc/70/75/71/817707571.db2.gz VQOGTIXYTQQZOP-SNVBAGLBSA-N -1 3 287.237 1.392 10 0 CDAEHM O=C([N-]N1CCCC1=O)c1ccc2c(n1)CCCC2 ZINC000780700895 817787473 /nfs/dbraw/zinc/78/74/73/817787473.db2.gz SOPXSHQDZAQPNH-UHFFFAOYSA-N -1 3 259.309 1.228 10 0 CDAEHM CCN(Cc1cc(C(F)(F)F)nn1C)[C@@H](C)C(=O)[O-] ZINC000923254086 817827358 /nfs/dbraw/zinc/82/73/58/817827358.db2.gz SKLNOIJKICUSJM-ZETCQYMHSA-N -1 3 279.262 1.734 10 0 CDAEHM O=C(C[C@@H]1CSCCS1)NCc1ncccc1[O-] ZINC000792616817 817838166 /nfs/dbraw/zinc/83/81/66/817838166.db2.gz BUUDUVKCGHQAJU-SECBINFHSA-N -1 3 284.406 1.642 10 0 CDAEHM CC(=O)[C@@H](OC(=O)Cc1c(C)nc(C)[n-]c1=O)C(C)C ZINC000828725222 817993158 /nfs/dbraw/zinc/99/31/58/817993158.db2.gz QLJIIALSTGFEGS-ZDUSSCGKSA-N -1 3 280.324 1.498 10 0 CDAEHM CCC(C)(C)N1CCN(C(=O)c2ccc([O-])cn2)CC1 ZINC001434127604 1167701391 /nfs/dbraw/zinc/70/13/91/1167701391.db2.gz XBURFCMUMOIJJK-UHFFFAOYSA-N -1 3 277.368 1.734 10 0 CDAEHM COC(=O)/C=C\[C@H](C)NC(=O)c1c(C)cccc1[O-] ZINC001124095062 915046093 /nfs/dbraw/zinc/04/60/93/915046093.db2.gz NXQRPQDCNLLYCV-DMEOUFDRSA-N -1 3 263.293 1.548 10 0 CDAEHM COC(=O)/C=C/[C@@H](C)NC(=O)c1c(C)cccc1[O-] ZINC001124095065 915046188 /nfs/dbraw/zinc/04/61/88/915046188.db2.gz NXQRPQDCNLLYCV-QROSGCPLSA-N -1 3 263.293 1.548 10 0 CDAEHM CCCCOC(=O)[C@@H](C)N1CCC(Cc2nnn[n-]2)CC1 ZINC001175836900 913799251 /nfs/dbraw/zinc/79/92/51/913799251.db2.gz HYZCYECDEGVTJZ-LLVKDONJSA-N -1 3 295.387 1.186 10 0 CDAEHM CCCCOC(=O)[C@@H](C)N1CCC(Cc2nn[n-]n2)CC1 ZINC001175836900 913799264 /nfs/dbraw/zinc/79/92/64/913799264.db2.gz HYZCYECDEGVTJZ-LLVKDONJSA-N -1 3 295.387 1.186 10 0 CDAEHM O=C(NNC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1[O-] ZINC000066312645 898279289 /nfs/dbraw/zinc/27/92/89/898279289.db2.gz WUKZECDNZAXIAZ-UONOGXRCSA-N -1 3 296.326 1.957 10 0 CDAEHM CCCC1(C(=O)N[C@@H](C)CCNCc2n[nH]c(=O)[n-]2)CC1 ZINC001268399294 901997704 /nfs/dbraw/zinc/99/77/04/901997704.db2.gz VFMWWZWHLATILP-JTQLQIEISA-N -1 3 295.387 1.075 10 0 CDAEHM CC(C)OC(=O)c1cc(NC(=O)c2cnsn2)[n-]n1 ZINC001363728397 904683047 /nfs/dbraw/zinc/68/30/47/904683047.db2.gz NZHZMLJFMSXDKY-UHFFFAOYSA-N -1 3 281.297 1.079 10 0 CDAEHM CC(C)OC(=O)c1cc(NC(=O)c2cnsn2)n[n-]1 ZINC001363728397 904683050 /nfs/dbraw/zinc/68/30/50/904683050.db2.gz NZHZMLJFMSXDKY-UHFFFAOYSA-N -1 3 281.297 1.079 10 0 CDAEHM CCN(OC)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001178291376 915332669 /nfs/dbraw/zinc/33/26/69/915332669.db2.gz QSSVXPXEZUYXOJ-UHFFFAOYSA-N -1 3 282.246 1.830 10 0 CDAEHM COc1cccc([O-])c1C(=O)NCCO[C@@H]1CC1(F)F ZINC000691237755 917326672 /nfs/dbraw/zinc/32/66/72/917326672.db2.gz VMOGGTLOMYKIFL-SNVBAGLBSA-N -1 3 287.262 1.555 10 0 CDAEHM C[C@@H]1[C@H](O)CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000394984927 936689840 /nfs/dbraw/zinc/68/98/40/936689840.db2.gz YKEYTNVVSOGZMW-QMTHXVAHSA-N -1 3 286.331 1.514 10 0 CDAEHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000837622686 936849811 /nfs/dbraw/zinc/84/98/11/936849811.db2.gz GTWMYBBORBTNTJ-RAIGVLPGSA-N -1 3 290.319 1.528 10 0 CDAEHM Cn1cc(S(=O)(=O)[N-]CC(C)(F)F)c(C(C)(C)C)n1 ZINC000867308728 925666146 /nfs/dbraw/zinc/66/61/46/925666146.db2.gz MJISPNCANDPILG-UHFFFAOYSA-N -1 3 295.355 1.651 10 0 CDAEHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCC(F)(F)CC1 ZINC000828161347 926056678 /nfs/dbraw/zinc/05/66/78/926056678.db2.gz RKNNAXZNXYXILD-UHFFFAOYSA-N -1 3 294.265 1.133 10 0 CDAEHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCC(F)(F)CC1 ZINC000828161347 926056684 /nfs/dbraw/zinc/05/66/84/926056684.db2.gz RKNNAXZNXYXILD-UHFFFAOYSA-N -1 3 294.265 1.133 10 0 CDAEHM CCOC(CC(=O)NCc1ccc([O-])c(F)c1)OCC ZINC000788658321 929575897 /nfs/dbraw/zinc/57/58/97/929575897.db2.gz NDRRBECGYOCTPD-UHFFFAOYSA-N -1 3 285.315 1.937 10 0 CDAEHM O=C([N-]c1nc2n(n1)CCCC2)c1ccc(Cl)nn1 ZINC001275846486 932089907 /nfs/dbraw/zinc/08/99/07/932089907.db2.gz CQUYUDHATPYSKB-UHFFFAOYSA-N -1 3 278.703 1.310 10 0 CDAEHM CCc1nnc(CN2Cc3nc(C)[n-]c(=O)c3C2)s1 ZINC000931312787 933537971 /nfs/dbraw/zinc/53/79/71/933537971.db2.gz YCTWTZBCNHGDRP-UHFFFAOYSA-N -1 3 277.353 1.420 10 0 CDAEHM COc1ccc(C(=O)N[C@@H]2COC3(CCC3)C2)c([O-])c1 ZINC000688343170 934589714 /nfs/dbraw/zinc/58/97/14/934589714.db2.gz VCDJRMGJTHIIAK-JTQLQIEISA-N -1 3 277.320 1.842 10 0 CDAEHM CCOc1nnc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[n-]1 ZINC000252901758 935082385 /nfs/dbraw/zinc/08/23/85/935082385.db2.gz LNBYXPUCRSQLPW-BRPSZJMVSA-N -1 3 250.302 1.578 10 0 CDAEHM CCOc1nc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)n[n-]1 ZINC000252901758 935082390 /nfs/dbraw/zinc/08/23/90/935082390.db2.gz LNBYXPUCRSQLPW-BRPSZJMVSA-N -1 3 250.302 1.578 10 0 CDAEHM CCOc1n[n-]c(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)n1 ZINC000252901758 935082395 /nfs/dbraw/zinc/08/23/95/935082395.db2.gz LNBYXPUCRSQLPW-BRPSZJMVSA-N -1 3 250.302 1.578 10 0 CDAEHM CCO[N-]C(=O)CC[C@@H]1[C@@H](C)Nc2ccnn2[C@@H]1C ZINC001123584934 936184648 /nfs/dbraw/zinc/18/46/48/936184648.db2.gz VWVUKMCZHIPIKB-GMTAPVOTSA-N -1 3 266.345 1.722 10 0 CDAEHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2[C@H]2CCCO2)c([O-])c1 ZINC001163876790 939345752 /nfs/dbraw/zinc/34/57/52/939345752.db2.gz DHDDASSKYJTLQN-YRGRVCCFSA-N -1 3 261.321 1.998 10 0 CDAEHM COc1cccc([O-])c1C(=O)N[C@H]1CCOC[C@H]1C ZINC000405232140 940975261 /nfs/dbraw/zinc/97/52/61/940975261.db2.gz BOVBKYHJGAFAES-ZJUUUORDSA-N -1 3 265.309 1.556 10 0 CDAEHM COc1cccc([O-])c1C(=O)NCC1CCC(O)CC1 ZINC000405322502 940981218 /nfs/dbraw/zinc/98/12/18/940981218.db2.gz VMRSIMQKNDWWHJ-UHFFFAOYSA-N -1 3 279.336 1.682 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1coc(C(F)F)c1 ZINC001362055182 970825344 /nfs/dbraw/zinc/82/53/44/970825344.db2.gz AXKFIRZMPWKTFR-QMMMGPOBSA-N -1 3 285.250 1.459 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc2occc2s1 ZINC001362125338 970917200 /nfs/dbraw/zinc/91/72/00/970917200.db2.gz WWEKWFIWSQLWAL-QMMMGPOBSA-N -1 3 291.332 1.736 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001362120971 970913795 /nfs/dbraw/zinc/91/37/95/970913795.db2.gz BMMCKXNGAWBSAP-QJPTWQEYSA-N -1 3 279.384 1.687 10 0 CDAEHM CC(=O)c1ccc(CCNC(=O)c2cnncc2[O-])cc1 ZINC001362213943 971024271 /nfs/dbraw/zinc/02/42/71/971024271.db2.gz DSOFTENDBDSAQI-UHFFFAOYSA-N -1 3 285.303 1.357 10 0 CDAEHM CSc1nccnc1C(=O)Nc1nc(C)ccc1[O-] ZINC001362404175 971233537 /nfs/dbraw/zinc/23/35/37/971233537.db2.gz ZBIBQTQISNZOOW-UHFFFAOYSA-N -1 3 276.321 1.860 10 0 CDAEHM Cn1ncc(C2CC2)c1CN[C@H]1C=CC[C@H](C(=O)[O-])C1 ZINC001262163075 946481812 /nfs/dbraw/zinc/48/18/12/946481812.db2.gz GSTCYOAQJMLHRB-RYUDHWBXSA-N -1 3 275.352 1.807 10 0 CDAEHM Cn1cc(CN2CCCSCC2)c(C(=O)[O-])n1 ZINC001331946273 947719297 /nfs/dbraw/zinc/71/92/97/947719297.db2.gz GTAWWUDCBAOMQF-UHFFFAOYSA-N -1 3 255.343 1.057 10 0 CDAEHM O=C(c1ncc(Cl)cn1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001362883440 971694054 /nfs/dbraw/zinc/69/40/54/971694054.db2.gz GTBCJBLOZFZXFJ-ZETCQYMHSA-N -1 3 293.714 1.188 10 0 CDAEHM O=C(N[C@@H](CO)c1ccc(Cl)cc1)c1cc(=O)[n-]cn1 ZINC001363502569 953385066 /nfs/dbraw/zinc/38/50/66/953385066.db2.gz RFFAUAQYSMEZCS-NSHDSACASA-N -1 3 293.710 1.299 10 0 CDAEHM Cc1nocc1C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001363550829 953444010 /nfs/dbraw/zinc/44/40/10/953444010.db2.gz GVYOMCUFHJLFDE-UHFFFAOYSA-N -1 3 286.291 1.512 10 0 CDAEHM CCc1ccc(C(=O)N[C@@H](C)C2N=NC(=O)N2C)c([O-])c1 ZINC001363156908 971931913 /nfs/dbraw/zinc/93/19/13/971931913.db2.gz KIKNHXFGLYQITR-QMMMGPOBSA-N -1 3 290.323 1.280 10 0 CDAEHM Cc1ccc(C(=O)Nc2cnc3c(c2)CNC3=O)c([O-])c1C ZINC001363908184 954005164 /nfs/dbraw/zinc/00/51/64/954005164.db2.gz MJWKQMRFGOBICI-UHFFFAOYSA-N -1 3 297.314 1.900 10 0 CDAEHM C/C=C(/C)C(=O)N[C@@H](C)CNC(=O)c1ccccc1[O-] ZINC001295424135 954660303 /nfs/dbraw/zinc/66/03/03/954660303.db2.gz CHDUZDMTQJWNPC-FGUAACIASA-N -1 3 276.336 1.593 10 0 CDAEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccnc(F)c1F)C2 ZINC001301716939 955971426 /nfs/dbraw/zinc/97/14/26/955971426.db2.gz WHYJSJVYWFWJPG-UHFFFAOYSA-N -1 3 292.245 1.320 10 0 CDAEHM O=C([O-])c1csc(CCNCc2ccns2)n1 ZINC001332422781 957558455 /nfs/dbraw/zinc/55/84/55/957558455.db2.gz KBQWHMPSNMQIJG-UHFFFAOYSA-N -1 3 269.351 1.630 10 0 CDAEHM CC(C)[C@H](C(=O)NCc1ccoc1C(=O)[O-])N(C)C ZINC001332625920 957645356 /nfs/dbraw/zinc/64/53/56/957645356.db2.gz YZMMGPYLSLULAS-SNVBAGLBSA-N -1 3 268.313 1.180 10 0 CDAEHM CC(C)c1nc([N-]C(=O)c2ncc(F)cc2F)n[nH]1 ZINC001320747809 959364212 /nfs/dbraw/zinc/36/42/12/959364212.db2.gz WMGATGLLYWZWHG-UHFFFAOYSA-N -1 3 267.239 1.854 10 0 CDAEHM COc1nc(C(=O)[N-]c2cc(C(N)=O)sc2C)co1 ZINC001433811915 960646334 /nfs/dbraw/zinc/64/63/34/960646334.db2.gz SRXQCFVOBDNUBE-UHFFFAOYSA-N -1 3 281.293 1.404 10 0 CDAEHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)/C=C/SC ZINC001435932630 962110618 /nfs/dbraw/zinc/11/06/18/962110618.db2.gz GFKFODVDTOGMDP-SNAWJCMRSA-N -1 3 298.320 1.403 10 0 CDAEHM CCc1cccc(F)c1CNC[C@H](OC)C(=O)[O-] ZINC001339240553 962265569 /nfs/dbraw/zinc/26/55/69/962265569.db2.gz KGFZMYHHSVGNNM-LBPRGKRZSA-N -1 3 255.289 1.577 10 0 CDAEHM C[C@@H](NC(=O)CCC1CCC1)[C@H](C)NC(=O)c1cn[n-]n1 ZINC001442446957 965070280 /nfs/dbraw/zinc/07/02/80/965070280.db2.gz CNHVBYSXPVYLBL-ZJUUUORDSA-N -1 3 293.371 1.008 10 0 CDAEHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cnc2n1CCOC2 ZINC001556723010 965088290 /nfs/dbraw/zinc/08/82/90/965088290.db2.gz MHNDSIWTCHBJKQ-UHFFFAOYSA-N -1 3 299.290 1.248 10 0 CDAEHM O=C(NC/C=C\C1CC1)c1cc(F)cc2n[n-]nc21 ZINC001556724566 965088794 /nfs/dbraw/zinc/08/87/94/965088794.db2.gz RKUAIRNHXVHMNE-UPHRSURJSA-N -1 3 260.272 1.793 10 0 CDAEHM CCOc1nnc(NC(=O)c2cnc3cccc(C)n32)[n-]1 ZINC001558011711 965223005 /nfs/dbraw/zinc/22/30/05/965223005.db2.gz QCASVFANZYSVAL-UHFFFAOYSA-N -1 3 286.295 1.412 10 0 CDAEHM CCOc1nc(NC(=O)c2cnc3cccc(C)n32)n[n-]1 ZINC001558011711 965223013 /nfs/dbraw/zinc/22/30/13/965223013.db2.gz QCASVFANZYSVAL-UHFFFAOYSA-N -1 3 286.295 1.412 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2cnc3cccc(C)n32)n1 ZINC001558011711 965223019 /nfs/dbraw/zinc/22/30/19/965223019.db2.gz QCASVFANZYSVAL-UHFFFAOYSA-N -1 3 286.295 1.412 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)/C=C/CCc1ccccc1 ZINC001443446274 965469108 /nfs/dbraw/zinc/46/91/08/965469108.db2.gz HKOHBCOQYQQLIT-WGPYJDKQSA-N -1 3 299.374 1.804 10 0 CDAEHM O=C(CCCn1cccc1)[N-]OCc1cccnc1 ZINC001446388752 966533539 /nfs/dbraw/zinc/53/35/39/966533539.db2.gz SEOJOUHQIMAQFP-UHFFFAOYSA-N -1 3 259.309 1.911 10 0 CDAEHM CCC/C(C)=C/C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001542940173 967256137 /nfs/dbraw/zinc/25/61/37/967256137.db2.gz KFAITRKFQOMTSW-ANYFNZRUSA-N -1 3 251.330 1.361 10 0 CDAEHM C[C@@H]1[C@@H](NC(=O)C(C)(C)CCC(=O)[O-])CCN1C ZINC001354071361 968455821 /nfs/dbraw/zinc/45/58/21/968455821.db2.gz JMNOWJLCLAVUGW-ZJUUUORDSA-N -1 3 256.346 1.086 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)[C@@H]2C)c1 ZINC001528458617 968856791 /nfs/dbraw/zinc/85/67/91/968856791.db2.gz RIVLUWPGTDNUCE-ZJUUUORDSA-N -1 3 274.320 1.997 10 0 CDAEHM CC/C(C)=C/C(=O)NCCN(C)C(=O)c1ccccc1[O-] ZINC001355570284 969209880 /nfs/dbraw/zinc/20/98/80/969209880.db2.gz ANUHTTLNIUKOPB-VAWYXSNFSA-N -1 3 290.363 1.937 10 0 CDAEHM Cc1nnc([N-]C(=O)c2c(F)ccnc2F)n1C ZINC001459016137 969374863 /nfs/dbraw/zinc/37/48/63/969374863.db2.gz JGRQOGFANWVWHL-UHFFFAOYSA-N -1 3 253.212 1.049 10 0 CDAEHM O=c1[n-]c(CN2CCCC[C@H]2Cc2ccc(O)cc2)n[nH]1 ZINC001460934111 969567485 /nfs/dbraw/zinc/56/74/85/969567485.db2.gz IDIJIJJMPZOMPY-LBPRGKRZSA-N -1 3 288.351 1.813 10 0 CDAEHM CCCCC(=O)N1CC(N(C)C(=O)c2ccccc2[O-])C1 ZINC001536278374 969601799 /nfs/dbraw/zinc/60/17/99/969601799.db2.gz JAPZIOWPAIACQR-UHFFFAOYSA-N -1 3 290.363 1.865 10 0 CDAEHM Cn1nnc(C(=O)[N-]c2csc(-c3ccccc3)n2)n1 ZINC001461342887 969615959 /nfs/dbraw/zinc/61/59/59/969615959.db2.gz MDVZOHVGCVZAIR-UHFFFAOYSA-N -1 3 286.320 1.586 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Cl)cs1 ZINC001464882170 969829465 /nfs/dbraw/zinc/82/94/65/969829465.db2.gz GUZBLOLRFPDLPM-MRVPVSSYSA-N -1 3 285.756 1.643 10 0 CDAEHM O=C(Nc1cc(Cl)ccc1[O-])c1cn[nH]c(=O)c1 ZINC001466258139 969936772 /nfs/dbraw/zinc/93/67/72/969936772.db2.gz ORRSSOVBPXCPIS-UHFFFAOYSA-N -1 3 265.656 1.794 10 0 CDAEHM Cn1cnnc1[N-]C(=O)c1c(F)ccc(F)c1Cl ZINC001466769913 969995950 /nfs/dbraw/zinc/99/59/50/969995950.db2.gz AYFJZIOTEJNJDN-UHFFFAOYSA-N -1 3 272.642 1.999 10 0 CDAEHM CC(=O)CCC(C)(C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001361925250 970681764 /nfs/dbraw/zinc/68/17/64/970681764.db2.gz KBGLFHKXXHWTOF-LLVKDONJSA-N -1 3 281.356 1.010 10 0 CDAEHM O=C(Nc1nnc(C(F)F)s1)c1ns[n-]c1=O ZINC001417618579 973204852 /nfs/dbraw/zinc/20/48/52/973204852.db2.gz YZFYUDHOYHRJTJ-UHFFFAOYSA-N -1 3 279.253 1.285 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1CCCCCCC1 ZINC001417636048 973221684 /nfs/dbraw/zinc/22/16/84/973221684.db2.gz QHJVVAXJJFXSOQ-CYBMUJFWSA-N -1 3 279.384 1.975 10 0 CDAEHM CCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1ccccc1[O-] ZINC001508442776 975677274 /nfs/dbraw/zinc/67/72/74/975677274.db2.gz PVXQYWUXBYIMAJ-UWVGGRQHSA-N -1 3 264.325 1.425 10 0 CDAEHM O=C(NC[C@H]1CCCN1C(=O)c1ccccc1[O-])C(F)F ZINC001399263766 976403123 /nfs/dbraw/zinc/40/31/23/976403123.db2.gz QXTTZPMQVRUTHI-SECBINFHSA-N -1 3 298.289 1.378 10 0 CDAEHM CC(C)(C)OC(=O)[C@H](Sc1n[n-]c(CO)n1)C1CC1 ZINC000601081686 342463546 /nfs/dbraw/zinc/46/35/46/342463546.db2.gz SFLGUIYDWKTQGG-SECBINFHSA-N -1 3 285.369 1.509 10 0 CDAEHM O=C([O-])CN(Cc1cnn(CC(F)F)c1)CC1CC1 ZINC000650798942 398210646 /nfs/dbraw/zinc/21/06/46/398210646.db2.gz OFHNOHKFNSZVHB-UHFFFAOYSA-N -1 3 273.283 1.445 10 0 CDAEHM C[C@H](F)CC[N-]S(=O)(=O)c1cnnn1-c1ccccc1 ZINC000625231437 342044715 /nfs/dbraw/zinc/04/47/15/342044715.db2.gz TVVUKHAVQCTYMM-JTQLQIEISA-N -1 3 298.343 1.294 10 0 CDAEHM CCO[C@H](CS(=O)(=O)[N-]Cc1nccc(C)n1)C1CC1 ZINC000625280181 342077042 /nfs/dbraw/zinc/07/70/42/342077042.db2.gz AMOVGCFNXUGAIN-GFCCVEGCSA-N -1 3 299.396 1.020 10 0 CDAEHM O=C(CNC(=O)c1cccc([O-])c1)N1CCCSCC1 ZINC000274399149 365650878 /nfs/dbraw/zinc/65/08/78/365650878.db2.gz AFDJISWASCBZPA-UHFFFAOYSA-N -1 3 294.376 1.088 10 0 CDAEHM CNS(=O)(=O)[N-]c1cc(Br)ccc1OC ZINC000127139560 342094627 /nfs/dbraw/zinc/09/46/27/342094627.db2.gz QTGSSUADWROKRS-UHFFFAOYSA-N -1 3 295.158 1.334 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2C[C@@H](C)OCC23CCC3)cs1 ZINC000616547990 342116546 /nfs/dbraw/zinc/11/65/46/342116546.db2.gz FYZBHWONTGPSBD-SNVBAGLBSA-N -1 3 295.408 1.780 10 0 CDAEHM CSCC[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000591324145 342625901 /nfs/dbraw/zinc/62/59/01/342625901.db2.gz UMYJSJBTFVDWBG-SECBINFHSA-N -1 3 289.426 1.422 10 0 CDAEHM CO[N-]C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000047913136 342145201 /nfs/dbraw/zinc/14/52/01/342145201.db2.gz KRWNSGDYVUGPIN-LBPRGKRZSA-N -1 3 294.326 1.284 10 0 CDAEHM O=C(N[C@H]1C[C@@H](O)C12CCC2)c1c[n-]nc1-c1ccccn1 ZINC000619069357 349613145 /nfs/dbraw/zinc/61/31/45/349613145.db2.gz CUHORACCNYDRKP-QWHCGFSZSA-N -1 3 298.346 1.505 10 0 CDAEHM O=S(=O)([N-]CC[C@H]1CC=CCC1)c1c[nH]cn1 ZINC000625496233 342174902 /nfs/dbraw/zinc/17/49/02/342174902.db2.gz IJUDNBARZNDPLN-JTQLQIEISA-N -1 3 255.343 1.434 10 0 CDAEHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc2cc[nH]c2c1 ZINC000193351715 539088754 /nfs/dbraw/zinc/08/87/54/539088754.db2.gz HAWNLWVAQDMNGL-VIFPVBQESA-N -1 3 268.338 1.945 10 0 CDAEHM COCC1(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)CC1 ZINC000537606442 539079968 /nfs/dbraw/zinc/07/99/68/539079968.db2.gz UIOWKDDSMWHSAM-UHFFFAOYSA-N -1 3 287.323 1.156 10 0 CDAEHM COCC1(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)CC1 ZINC000537606442 539079969 /nfs/dbraw/zinc/07/99/69/539079969.db2.gz UIOWKDDSMWHSAM-UHFFFAOYSA-N -1 3 287.323 1.156 10 0 CDAEHM O=C(NC1(CCO)CCOCC1)c1ccccc1[O-] ZINC000154883851 539093085 /nfs/dbraw/zinc/09/30/85/539093085.db2.gz LBXOQMFVJWPFOX-UHFFFAOYSA-N -1 3 265.309 1.054 10 0 CDAEHM O=S1(=O)CC[C@H](c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)[N-]1 ZINC000656053738 539099929 /nfs/dbraw/zinc/09/99/29/539099929.db2.gz VVHCNJSVWXJUHY-DOLQZWNJSA-N -1 3 283.353 1.337 10 0 CDAEHM Cn1cnnc1CCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000354267238 539100178 /nfs/dbraw/zinc/10/01/78/539100178.db2.gz HLSSDUSKVGTLHM-UHFFFAOYSA-N -1 3 296.330 1.646 10 0 CDAEHM CCC(CC)[C@H](O)CNC(=O)c1cccc(OC)c1[O-] ZINC000111652467 365699781 /nfs/dbraw/zinc/69/97/81/365699781.db2.gz LVNATGWPRAUCHZ-GFCCVEGCSA-N -1 3 281.352 1.928 10 0 CDAEHM CCOC(=O)c1csc(=NC[C@H]2CCOC2(C)C)[n-]1 ZINC000596537632 343345654 /nfs/dbraw/zinc/34/56/54/343345654.db2.gz CJUYIDUBCBMANK-SECBINFHSA-N -1 3 284.381 1.969 10 0 CDAEHM COc1ccc([O-])c(C(=O)NCCO[C@@H]2CC2(F)F)c1 ZINC000618124944 342434034 /nfs/dbraw/zinc/43/40/34/342434034.db2.gz OBVWCBRAMUQSBC-LLVKDONJSA-N -1 3 287.262 1.555 10 0 CDAEHM COC(=O)c1cc(C(=O)[N-]c2nnc(C)s2)c(C)o1 ZINC000596881769 343407760 /nfs/dbraw/zinc/40/77/60/343407760.db2.gz LJKPMFVIEIUNGG-UHFFFAOYSA-N -1 3 281.293 1.787 10 0 CDAEHM CC[C@H](C(=O)Nc1nnc(OC)[n-]1)c1ccccc1 ZINC000126794722 187263105 /nfs/dbraw/zinc/26/31/05/187263105.db2.gz HUQXLHCZOUCWCK-JTQLQIEISA-N -1 3 260.297 1.946 10 0 CDAEHM CC[C@H](C(=O)Nc1n[n-]c(OC)n1)c1ccccc1 ZINC000126794722 187263106 /nfs/dbraw/zinc/26/31/06/187263106.db2.gz HUQXLHCZOUCWCK-JTQLQIEISA-N -1 3 260.297 1.946 10 0 CDAEHM CC[C@H](C(=O)Nc1nc(OC)n[n-]1)c1ccccc1 ZINC000126794722 187263108 /nfs/dbraw/zinc/26/31/08/187263108.db2.gz HUQXLHCZOUCWCK-JTQLQIEISA-N -1 3 260.297 1.946 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)C[C@@H](C)[C@H]2CCCO2)[n-]1 ZINC000597558197 343572309 /nfs/dbraw/zinc/57/23/09/343572309.db2.gz HBAIZFMFSLIDSL-NXEZZACHSA-N -1 3 295.339 1.730 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)C[C@@H](C)[C@H]2CCCO2)c[n-]1 ZINC000597558197 343572311 /nfs/dbraw/zinc/57/23/11/343572311.db2.gz HBAIZFMFSLIDSL-NXEZZACHSA-N -1 3 295.339 1.730 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)[C@H]2CC[C@H](OC)C2)[n-]1 ZINC000597565718 343573490 /nfs/dbraw/zinc/57/34/90/343573490.db2.gz XSHWSJRFELHBGQ-IUCAKERBSA-N -1 3 281.312 1.340 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)[C@H]2CC[C@H](OC)C2)c[n-]1 ZINC000597565718 343573491 /nfs/dbraw/zinc/57/34/91/343573491.db2.gz XSHWSJRFELHBGQ-IUCAKERBSA-N -1 3 281.312 1.340 10 0 CDAEHM COc1cccc(C(=O)N2CCO[C@]3(CCOC3)C2)c1[O-] ZINC000274708738 365775432 /nfs/dbraw/zinc/77/54/32/365775432.db2.gz ZXYDDXAXYYSPMN-OAHLLOKOSA-N -1 3 293.319 1.032 10 0 CDAEHM CCN(CC)C(=O)CN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000249934604 344035233 /nfs/dbraw/zinc/03/52/33/344035233.db2.gz FSHAPNHZTYXGGO-UPJWGTAASA-N -1 3 282.384 1.573 10 0 CDAEHM COC(=O)C[C@H](CNC(=O)c1csc(=O)[n-]1)C1CC1 ZINC000598271153 343748612 /nfs/dbraw/zinc/74/86/12/343748612.db2.gz PYLFGBPPOZHBNI-MRVPVSSYSA-N -1 3 284.337 1.168 10 0 CDAEHM CCO[C@H](C(=O)NCc1ncccc1[O-])C(C)C ZINC000626737833 346966118 /nfs/dbraw/zinc/96/61/18/346966118.db2.gz CGYXCXVPMRTGJC-LBPRGKRZSA-N -1 3 252.314 1.465 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C[C@@H](C)[C@H]1CCCO1 ZINC000612089051 347010970 /nfs/dbraw/zinc/01/09/70/347010970.db2.gz HWLWSWGTFUNTPU-VXNVDRBHSA-N -1 3 281.312 1.340 10 0 CDAEHM CO[C@H](C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O)C1CCCC1 ZINC000612090854 347013111 /nfs/dbraw/zinc/01/31/11/347013111.db2.gz VWXJKFTUJQXKGK-JTQLQIEISA-N -1 3 281.312 1.340 10 0 CDAEHM C[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)N(C)C1CC1 ZINC000057715807 347084745 /nfs/dbraw/zinc/08/47/45/347084745.db2.gz IFEGSRHOUHCHPW-LLVKDONJSA-N -1 3 299.374 1.741 10 0 CDAEHM CCc1cccc(C(=O)NCC[C@H](COC)OC)c1[O-] ZINC000617237393 345051592 /nfs/dbraw/zinc/05/15/92/345051592.db2.gz LNBQHBNKMNXRHU-GFCCVEGCSA-N -1 3 281.352 1.736 10 0 CDAEHM COC[C@H](CCNC(=O)Cc1ccc([O-])c(F)c1)OC ZINC000617242777 345062045 /nfs/dbraw/zinc/06/20/45/345062045.db2.gz GYVJGANJYMLWIA-NSHDSACASA-N -1 3 285.315 1.242 10 0 CDAEHM COC[C@H](NC(=O)c1cc(C)ccc1[O-])C1CCOCC1 ZINC000617375244 345403543 /nfs/dbraw/zinc/40/35/43/345403543.db2.gz RJJYBLUVIXBQRQ-AWEZNQCLSA-N -1 3 293.363 1.872 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N[C@@H]2Cc3cncn3C2)c1 ZINC000623263465 345883682 /nfs/dbraw/zinc/88/36/82/345883682.db2.gz NNDQDDOXMFJAAD-LLVKDONJSA-N -1 3 271.320 1.506 10 0 CDAEHM Cc1cnc(N)c(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1 ZINC000672428956 482555071 /nfs/dbraw/zinc/55/50/71/482555071.db2.gz IAFKUHZGZCTDSX-SECBINFHSA-N -1 3 291.323 1.438 10 0 CDAEHM CN(C)[C@@H](C(=O)[O-])c1ccc(Br)cn1 ZINC000130020517 346183686 /nfs/dbraw/zinc/18/36/86/346183686.db2.gz ZEQBDCGRDMSFPA-MRVPVSSYSA-N -1 3 259.103 1.531 10 0 CDAEHM Cc1ccc([O-])c(CN2CC[C@](O)(C(F)F)C2)n1 ZINC000449477350 362727399 /nfs/dbraw/zinc/72/73/99/362727399.db2.gz WPYKTWWXIWQCMJ-GFCCVEGCSA-N -1 3 258.268 1.298 10 0 CDAEHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1nccs1 ZINC000229221569 346535154 /nfs/dbraw/zinc/53/51/54/346535154.db2.gz ZXFWXWVOQIBIHD-KKZNHRDASA-N -1 3 252.339 1.828 10 0 CDAEHM CC1(C)Oc2ccc(NC(=O)[C@@H](N)CCC(=O)[O-])cc2O1 ZINC000085819230 179182243 /nfs/dbraw/zinc/18/22/43/179182243.db2.gz LEHBDGXILYIGCZ-VIFPVBQESA-N -1 3 294.307 1.325 10 0 CDAEHM N[C@@H](CCC(=O)[O-])C(=O)Nc1cccc(-c2cnco2)c1 ZINC000085820211 179182781 /nfs/dbraw/zinc/18/27/81/179182781.db2.gz WPDOAPVTOIQLFT-NSHDSACASA-N -1 3 289.291 1.472 10 0 CDAEHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@@H](N)CCC(=O)[O-] ZINC000085838648 179183619 /nfs/dbraw/zinc/18/36/19/179183619.db2.gz WTGQZMTUZLJKAV-CABZTGNLSA-N -1 3 282.315 1.537 10 0 CDAEHM Cc1ccc(Cl)cc1NC(=O)[C@@H](N)CCC(=O)[O-] ZINC000085818699 179181030 /nfs/dbraw/zinc/18/10/30/179181030.db2.gz DHHMROUURHDECB-VIFPVBQESA-N -1 3 270.716 1.779 10 0 CDAEHM C[C@@H](CC(=O)Nc1ccncc1[O-])[C@H]1CCCO1 ZINC000613085824 347389432 /nfs/dbraw/zinc/38/94/32/347389432.db2.gz BPUNJYSGZCEJCP-JOYOIKCWSA-N -1 3 250.298 1.353 10 0 CDAEHM CO[C@@H](C(=O)Nc1cccc([O-])c1F)[C@@H]1CCOC1 ZINC000613111154 347396911 /nfs/dbraw/zinc/39/69/11/347396911.db2.gz ZYRRHGOCXIRBOG-PRHODGIISA-N -1 3 269.272 1.521 10 0 CDAEHM CC[C@@H](Nc1cccc2c(=O)[n-][nH]c(=O)c12)C1CC1 ZINC000086115729 179234108 /nfs/dbraw/zinc/23/41/08/179234108.db2.gz QKKWZBNWPYFRST-SNVBAGLBSA-N 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/nfs/dbraw/zinc/82/74/01/358827401.db2.gz YAQAHWWBECDJSB-QMMMGPOBSA-N -1 3 285.291 1.285 10 0 CDAEHM COC(=O)[C@H](NO)c1ccc([O-])c(Br)c1 ZINC000308763158 358895673 /nfs/dbraw/zinc/89/56/73/358895673.db2.gz STTOQIUNRRDZEW-MRVPVSSYSA-N -1 3 276.086 1.348 10 0 CDAEHM CN(CCCC(=O)[O-])CC(=O)NCCCc1ccccc1 ZINC000042718008 358974835 /nfs/dbraw/zinc/97/48/35/358974835.db2.gz XFAIZJNKIIRCND-UHFFFAOYSA-N -1 3 292.379 1.532 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCC[C@@H]32)nc1C ZINC000572338053 359065343 /nfs/dbraw/zinc/06/53/43/359065343.db2.gz WUFGSHVSQANEDG-PEGIJTEDSA-N -1 3 269.370 1.288 10 0 CDAEHM O=C(NCC1(O)Cc2ccccc2C1)c1csc(=O)[n-]1 ZINC000365544467 359531392 /nfs/dbraw/zinc/53/13/92/359531392.db2.gz DTJRMKWJHCTZBQ-UHFFFAOYSA-N -1 3 290.344 1.108 10 0 CDAEHM Cc1ccc([O-])c(CN2CC(C(=O)OC(C)(C)C)C2)n1 ZINC000297360037 200162255 /nfs/dbraw/zinc/16/22/55/200162255.db2.gz GRIYNQKKNCBBDG-UHFFFAOYSA-N -1 3 278.352 1.869 10 0 CDAEHM CC(C)(C)OC(=O)N1CCN2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000409422015 359776779 /nfs/dbraw/zinc/77/67/79/359776779.db2.gz NBDOYCRTQCMJBH-UWVGGRQHSA-N -1 3 270.329 1.155 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2CC3(C2)CCCOC3)cs1 ZINC000329362538 202301782 /nfs/dbraw/zinc/30/17/82/202301782.db2.gz CWHBOGGDDXCVHI-UHFFFAOYSA-N -1 3 281.381 1.249 10 0 CDAEHM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297620076 200243431 /nfs/dbraw/zinc/24/34/31/200243431.db2.gz BFXKHGAKBZOIOV-LKFCYVNXSA-N -1 3 291.355 1.318 10 0 CDAEHM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297620076 200243432 /nfs/dbraw/zinc/24/34/32/200243432.db2.gz BFXKHGAKBZOIOV-LKFCYVNXSA-N -1 3 291.355 1.318 10 0 CDAEHM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297620076 200243433 /nfs/dbraw/zinc/24/34/33/200243433.db2.gz BFXKHGAKBZOIOV-LKFCYVNXSA-N -1 3 291.355 1.318 10 0 CDAEHM CC[C@H]1CCC[C@@H]1C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297746271 200273361 /nfs/dbraw/zinc/27/33/61/200273361.db2.gz NUPZZHWFSPAECK-WPRPVWTQSA-N -1 3 291.355 1.462 10 0 CDAEHM CC[C@H]1CCC[C@@H]1C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297746271 200273362 /nfs/dbraw/zinc/27/33/62/200273362.db2.gz NUPZZHWFSPAECK-WPRPVWTQSA-N -1 3 291.355 1.462 10 0 CDAEHM CC[C@H]1CCC[C@@H]1C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297746271 200273364 /nfs/dbraw/zinc/27/33/64/200273364.db2.gz NUPZZHWFSPAECK-WPRPVWTQSA-N -1 3 291.355 1.462 10 0 CDAEHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCOC[C@H]1C ZINC000277723529 366606350 /nfs/dbraw/zinc/60/63/50/366606350.db2.gz JFYCRAWGHBVRCH-RKDXNWHRSA-N -1 3 291.394 1.460 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N2CCN(C(C)=O)C[C@H]2C)c1 ZINC000335351432 360002900 /nfs/dbraw/zinc/00/29/00/360002900.db2.gz SHNDUGKDMLDXCF-LLVKDONJSA-N -1 3 290.363 1.647 10 0 CDAEHM O=C(N[C@@H](CO)Cc1ccccc1)c1cccc([O-])c1 ZINC000063217117 360078134 /nfs/dbraw/zinc/07/81/34/360078134.db2.gz DOFAZSYMQGSLPJ-CQSZACIVSA-N -1 3 271.316 1.726 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCC[C@H](n3cncn3)C2)n1 ZINC000176859078 189011919 /nfs/dbraw/zinc/01/19/19/189011919.db2.gz HCOVIKYXHNEMEA-LBPRGKRZSA-N -1 3 288.355 1.173 10 0 CDAEHM CCc1nc(CN=c2ncnc3[nH][n-]cc2-3)cs1 ZINC000337621407 360306914 /nfs/dbraw/zinc/30/69/14/360306914.db2.gz RKAMWQHIUYCWEJ-UHFFFAOYSA-N -1 3 260.326 1.357 10 0 CDAEHM CCN=c1[n-]c(C(=O)Nc2cnc(N(C)C)nc2)cs1 ZINC000337623261 360307927 /nfs/dbraw/zinc/30/79/27/360307927.db2.gz HTTBQAVHJHSMGC-UHFFFAOYSA-N -1 3 292.368 1.105 10 0 CDAEHM Cc1c([O-])ccc2c(CSC[C@@H](O)CO)cc(=O)oc12 ZINC000177432603 189050815 /nfs/dbraw/zinc/05/08/15/189050815.db2.gz FHNGUXIISCCSNR-JTQLQIEISA-N -1 3 296.344 1.393 10 0 CDAEHM COc1cc(=NC(=O)N2CC3(CCC3)[C@H]2C(C)C)[n-]n1C ZINC000515996431 360551685 /nfs/dbraw/zinc/55/16/85/360551685.db2.gz XYVKJLTWGBHQMY-CYBMUJFWSA-N -1 3 292.383 1.893 10 0 CDAEHM CC(C)(CNC(=O)c1cc(=O)[n-]cn1)C(F)(F)F ZINC000626931053 360648452 /nfs/dbraw/zinc/64/84/52/360648452.db2.gz QGTAKTCYAZSPJF-UHFFFAOYSA-N -1 3 263.219 1.501 10 0 CDAEHM CC[C@H](OC)C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000338113042 360695249 /nfs/dbraw/zinc/69/52/49/360695249.db2.gz FSOJWMONOKPMCC-NSHDSACASA-N -1 3 260.297 1.257 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CCc2ccsc2)c1 ZINC000338153980 360723018 /nfs/dbraw/zinc/72/30/18/360723018.db2.gz LISLBMPQQXDPLI-UHFFFAOYSA-N -1 3 285.394 1.486 10 0 CDAEHM CC(C)n1cc(CN(CC(=O)[O-])CC2CC2)cn1 ZINC000232772812 482848016 /nfs/dbraw/zinc/84/80/16/482848016.db2.gz ADWRCGIJAONAMW-UHFFFAOYSA-N -1 3 251.330 1.761 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(C)C[C@H]2C)c1 ZINC000408410452 360848051 /nfs/dbraw/zinc/84/80/51/360848051.db2.gz RBJBJKFTNNHPRZ-SNVBAGLBSA-N -1 3 291.351 1.127 10 0 CDAEHM COc1nnc(NC(=O)C2CCC(F)(F)CC2)[n-]1 ZINC000129395898 360835634 /nfs/dbraw/zinc/83/56/34/360835634.db2.gz RPPYLNZTYZOPAF-UHFFFAOYSA-N -1 3 260.244 1.577 10 0 CDAEHM COc1nc(NC(=O)C2CCC(F)(F)CC2)n[n-]1 ZINC000129395898 360835636 /nfs/dbraw/zinc/83/56/36/360835636.db2.gz RPPYLNZTYZOPAF-UHFFFAOYSA-N -1 3 260.244 1.577 10 0 CDAEHM COc1n[n-]c(NC(=O)C2CCC(F)(F)CC2)n1 ZINC000129395898 360835637 /nfs/dbraw/zinc/83/56/37/360835637.db2.gz RPPYLNZTYZOPAF-UHFFFAOYSA-N -1 3 260.244 1.577 10 0 CDAEHM CN1CC[C@@H](NC(=O)c2cncc([O-])c2)[C@@H]1c1ccccc1 ZINC000179223800 189178696 /nfs/dbraw/zinc/17/86/96/189178696.db2.gz BQDITBQIZXVYOF-CVEARBPZSA-N -1 3 297.358 1.962 10 0 CDAEHM COC(=O)CCCCC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000338930311 361139528 /nfs/dbraw/zinc/13/95/28/361139528.db2.gz VCFTUYPSGTTXDV-LLVKDONJSA-N -1 3 295.339 1.355 10 0 CDAEHM CCc1ncc(C[N-]S(=O)(=O)C[C@@H](OC)C(C)C)o1 ZINC000645747848 361278049 /nfs/dbraw/zinc/27/80/49/361278049.db2.gz MRVUAXMXHGLSTP-LLVKDONJSA-N -1 3 290.385 1.327 10 0 CDAEHM CCCc1nc(=NC(=O)N[C@H]2CCN(C)[C@H](C)C2)s[n-]1 ZINC000350859586 361270799 /nfs/dbraw/zinc/27/07/99/361270799.db2.gz BESQOHXCLKDHLA-ZJUUUORDSA-N -1 3 297.428 1.517 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]3COC[C@H]32)c1 ZINC000367256091 366809300 /nfs/dbraw/zinc/80/93/00/366809300.db2.gz ZUHUJDNFVLVBGR-WCQYABFASA-N -1 3 261.321 1.952 10 0 CDAEHM C[C@](NCCO)(C(=O)[O-])c1ccc(Br)cc1 ZINC000041801917 361433062 /nfs/dbraw/zinc/43/30/62/361433062.db2.gz AJDPOKOXOBFFRU-LLVKDONJSA-N -1 3 288.141 1.331 10 0 CDAEHM COCCCn1c(=O)[n-]nc1SCc1nc(C)oc1C ZINC000629100634 361517699 /nfs/dbraw/zinc/51/76/99/361517699.db2.gz PFVWBHSGXLVWMY-UHFFFAOYSA-N -1 3 298.368 1.917 10 0 CDAEHM COc1cccc(C(=O)N2CCS[C@@H](C)C2)c1[O-] ZINC000134348808 361570781 /nfs/dbraw/zinc/57/07/81/361570781.db2.gz BWDYUODEKTVCEW-VIFPVBQESA-N -1 3 267.350 1.978 10 0 CDAEHM CCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@@H]1CCOC1 ZINC000436656013 361552387 /nfs/dbraw/zinc/55/23/87/361552387.db2.gz KXTZYRVNNZNBHT-LLVKDONJSA-N -1 3 295.335 1.660 10 0 CDAEHM CO[C@@H](CCNC(=O)c1c([O-])cccc1O)C(F)(F)F ZINC000436851679 361590803 /nfs/dbraw/zinc/59/08/03/361590803.db2.gz FVCLFMYAHMHGFZ-VIFPVBQESA-N -1 3 293.241 1.795 10 0 CDAEHM c1cnn(Cc2noc(-c3n[n-]nc3-c3ccccc3)n2)c1 ZINC000351054882 361579879 /nfs/dbraw/zinc/57/98/79/361579879.db2.gz YQGVUNFHNWCNAX-UHFFFAOYSA-N -1 3 293.290 1.767 10 0 CDAEHM Cc1ccc2[n-]cc(C(=O)NCc3ccnn3C)c(=O)c2c1 ZINC000351248291 361627232 /nfs/dbraw/zinc/62/72/32/361627232.db2.gz GCVFMYOTJJSWKK-UHFFFAOYSA-N -1 3 296.330 1.500 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000629138126 361633891 /nfs/dbraw/zinc/63/38/91/361633891.db2.gz HKVBMKOIOALBQR-FZMZJTMJSA-N -1 3 261.321 1.998 10 0 CDAEHM Cc1cccc(S(=O)(=O)[N-][C@@H](C)Cn2cncn2)c1F ZINC000273083136 239046345 /nfs/dbraw/zinc/04/63/45/239046345.db2.gz HOEHMQMRFYTGDP-JTQLQIEISA-N -1 3 298.343 1.093 10 0 CDAEHM C[C@H]1CN(CCO)CCN1C(=O)c1cc([O-])ccc1Cl ZINC000457098375 363906989 /nfs/dbraw/zinc/90/69/89/363906989.db2.gz LNCRLDJUJMKNBY-JTQLQIEISA-N -1 3 298.770 1.184 10 0 CDAEHM CC[C@@H]1OCCC[C@H]1C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000636287143 363933617 /nfs/dbraw/zinc/93/36/17/363933617.db2.gz YUGQDKDZESWBAJ-MFKMUULPSA-N -1 3 291.351 1.538 10 0 CDAEHM CCOC(=O)Cc1cc(OC(F)(F)F)c([O-])cn1 ZINC000575374983 364097804 /nfs/dbraw/zinc/09/78/04/364097804.db2.gz OJEYEJIIFOGCNF-UHFFFAOYSA-N -1 3 265.187 1.791 10 0 CDAEHM COC(=O)Cc1cc([O-])cnc1OC(F)(F)F ZINC000575374918 364098102 /nfs/dbraw/zinc/09/81/02/364098102.db2.gz JUPOCABGZYSYEB-UHFFFAOYSA-N -1 3 251.160 1.401 10 0 CDAEHM O=C(NC[C@H](O)C1CC1)c1cc2c(cc1[O-])CCCC2 ZINC000269836270 364353840 /nfs/dbraw/zinc/35/38/40/364353840.db2.gz KLPMMYRRJKFDJQ-HNNXBMFYSA-N -1 3 275.348 1.772 10 0 CDAEHM O=C(CNC(=O)c1ccc([O-])cc1)NC1(C(F)F)CC1 ZINC000629991171 364382162 /nfs/dbraw/zinc/38/21/62/364382162.db2.gz QHGPBABGNWEEJX-UHFFFAOYSA-N -1 3 284.262 1.036 10 0 CDAEHM COC1CC(C(=O)N=c2[nH][n-]c(C(C)C)c2C)C1 ZINC000630011998 364427964 /nfs/dbraw/zinc/42/79/64/364427964.db2.gz QNJGLASJICGUOP-UHFFFAOYSA-N -1 3 251.330 1.627 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@H]2C(C)C)n[n-]1 ZINC000186151771 364525554 /nfs/dbraw/zinc/52/55/54/364525554.db2.gz OFGYNQUUPVMMDT-IUCAKERBSA-N -1 3 265.313 1.817 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)[C@H]2C[C@H]2C(C)C)[n-]n1 ZINC000186151771 364525557 /nfs/dbraw/zinc/52/55/57/364525557.db2.gz OFGYNQUUPVMMDT-IUCAKERBSA-N -1 3 265.313 1.817 10 0 CDAEHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cscn2)c2nccn21 ZINC000563955458 364794521 /nfs/dbraw/zinc/79/45/21/364794521.db2.gz ZFJQSIQGIGEUJS-YUMQZZPRSA-N -1 3 284.366 1.324 10 0 CDAEHM COc1ccc([O-])c(C(=O)NC[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000376392287 364768575 /nfs/dbraw/zinc/76/85/75/364768575.db2.gz RYVZYAGOVQDXLM-CNDDSTCGSA-N -1 3 263.293 1.023 10 0 CDAEHM CO[C@H]([C@H](C)NC(=O)NCc1ncccc1[O-])C1CC1 ZINC000455497597 252395474 /nfs/dbraw/zinc/39/54/74/252395474.db2.gz CGWXGEMVGUOULL-TVQRCGJNSA-N -1 3 279.340 1.400 10 0 CDAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cscn2)c2nccn21 ZINC000563955455 364793644 /nfs/dbraw/zinc/79/36/44/364793644.db2.gz ZFJQSIQGIGEUJS-HTQZYQBOSA-N -1 3 284.366 1.324 10 0 CDAEHM COc1ccc([O-])c(C(=O)NC(C)(C)[C@@H](C)O)c1 ZINC000167136827 364925971 /nfs/dbraw/zinc/92/59/71/364925971.db2.gz ONBSDFGUVIMLDV-MRVPVSSYSA-N -1 3 253.298 1.290 10 0 CDAEHM COC(=O)c1ccc([N-]S(=O)(=O)N2CCC[C@@H]2C)cn1 ZINC000471962534 365034092 /nfs/dbraw/zinc/03/40/92/365034092.db2.gz DJFVCTUTTWWJAY-VIFPVBQESA-N -1 3 299.352 1.009 10 0 CDAEHM CO[C@@H]1CC[C@@H](NC(=O)c2cccc3nn[n-]c32)C1 ZINC000188284540 365149885 /nfs/dbraw/zinc/14/98/85/365149885.db2.gz BWLUREOBJPUCNA-RKDXNWHRSA-N -1 3 260.297 1.255 10 0 CDAEHM CO[C@@H]1CC[C@@H](NC(=O)c2cccc3[n-]nnc32)C1 ZINC000188284540 365149893 /nfs/dbraw/zinc/14/98/93/365149893.db2.gz BWLUREOBJPUCNA-RKDXNWHRSA-N -1 3 260.297 1.255 10 0 CDAEHM CO[C@@H]1CC[C@@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC000188284540 365149899 /nfs/dbraw/zinc/14/98/99/365149899.db2.gz BWLUREOBJPUCNA-RKDXNWHRSA-N -1 3 260.297 1.255 10 0 CDAEHM Cc1cc(C(=O)N[C@H](C)Cn2cncn2)ccc1[O-] ZINC000272480833 365258865 /nfs/dbraw/zinc/25/88/65/365258865.db2.gz QQZDWJSTGIWKSY-SNVBAGLBSA-N -1 3 260.297 1.111 10 0 CDAEHM CC(=O)Nc1ncccc1NC(=O)c1cccc([O-])c1 ZINC000353561449 365299076 /nfs/dbraw/zinc/29/90/76/365299076.db2.gz SJEVSHWDBWMVOT-UHFFFAOYSA-N -1 3 271.276 1.998 10 0 CDAEHM CC(C)(C)c1ccc(NC(=O)[C@@]2(O)CCOC2)c([O-])c1 ZINC000413786722 240893028 /nfs/dbraw/zinc/89/30/28/240893028.db2.gz TWBONGUMQSSWFY-OAHLLOKOSA-N -1 3 279.336 1.780 10 0 CDAEHM COCCOC[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000357359298 366943978 /nfs/dbraw/zinc/94/39/78/366943978.db2.gz VUYKULXTNANWQF-JTQLQIEISA-N -1 3 253.298 1.174 10 0 CDAEHM Cc1cccc(NCCNC(=O)c2cccc([O-])c2)n1 ZINC000357362871 366945473 /nfs/dbraw/zinc/94/54/73/366945473.db2.gz IUPBALDEGITAGU-UHFFFAOYSA-N -1 3 271.320 1.938 10 0 CDAEHM Cn1cc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)c(=O)[n-]c1=O ZINC000357616314 367101774 /nfs/dbraw/zinc/10/17/74/367101774.db2.gz MGMRNKOWRZNRTG-VXGBXAGGSA-N -1 3 299.330 1.019 10 0 CDAEHM NC(=O)CC1CN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000280329330 367356301 /nfs/dbraw/zinc/35/63/01/367356301.db2.gz VLADNBJGDIKHKH-UHFFFAOYSA-N -1 3 288.347 1.218 10 0 CDAEHM CSCCON=C([O-])Nc1cn(C)nc1C(C)C ZINC000280638895 367467352 /nfs/dbraw/zinc/46/73/52/367467352.db2.gz AYXWMYMHNIPIOH-UHFFFAOYSA-N -1 3 272.374 1.960 10 0 CDAEHM CSCCO[N-]C(=O)Nc1cn(C)nc1C(C)C ZINC000280638895 367467355 /nfs/dbraw/zinc/46/73/55/367467355.db2.gz AYXWMYMHNIPIOH-UHFFFAOYSA-N -1 3 272.374 1.960 10 0 CDAEHM O=S(=O)([N-]CCC1=CCCC1)c1cnn2c1OCCC2 ZINC000416445923 242012343 /nfs/dbraw/zinc/01/23/43/242012343.db2.gz NJNCXWJHZMBSAS-UHFFFAOYSA-N -1 3 297.380 1.444 10 0 CDAEHM O=C(NC[C@@H]1CC[C@H](O)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000236563930 367655412 /nfs/dbraw/zinc/65/54/12/367655412.db2.gz OYWWLEXVYYMMAH-MNOVXSKESA-N -1 3 286.331 1.419 10 0 CDAEHM CCC[C@@](C)([N-]S(=O)(=O)c1ccc(C)o1)C(=O)OC ZINC000358468573 367706107 /nfs/dbraw/zinc/70/61/07/367706107.db2.gz HCKDFIHJRHVGRF-GFCCVEGCSA-N -1 3 289.353 1.598 10 0 CDAEHM CC(C)N(Cc1cccs1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000358556401 367772396 /nfs/dbraw/zinc/77/23/96/367772396.db2.gz CGIZHRSWWOCDTD-JTQLQIEISA-N -1 3 295.364 1.083 10 0 CDAEHM O=C(NCc1ncccc1[O-])NC[C@@H]1CCCSC1 ZINC000567137006 370891322 /nfs/dbraw/zinc/89/13/22/370891322.db2.gz VABGFZIQOPFTOV-JTQLQIEISA-N -1 3 281.381 1.730 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)CCC(F)(F)F ZINC000528545171 367891069 /nfs/dbraw/zinc/89/10/69/367891069.db2.gz WUJMCLUPKAPMJR-XAVMHZPKSA-N -1 3 289.319 1.670 10 0 CDAEHM CC(C)C[C@H](CO)N(C)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000282883773 368085825 /nfs/dbraw/zinc/08/58/25/368085825.db2.gz YSENTDZQTCOMMI-SNVBAGLBSA-N -1 3 294.330 1.576 10 0 CDAEHM CC(C)C[C@H](CO)N(C)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000282883773 368085833 /nfs/dbraw/zinc/08/58/33/368085833.db2.gz YSENTDZQTCOMMI-SNVBAGLBSA-N -1 3 294.330 1.576 10 0 CDAEHM CC(C)C[C@H](CO)N(C)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000282883773 368085843 /nfs/dbraw/zinc/08/58/43/368085843.db2.gz YSENTDZQTCOMMI-SNVBAGLBSA-N -1 3 294.330 1.576 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](C)C2)c1 ZINC000360353692 368247628 /nfs/dbraw/zinc/24/76/28/368247628.db2.gz RDXXISQELZMVCR-WDEREUQCSA-N -1 3 271.386 1.618 10 0 CDAEHM CCN1CCN(CC(=O)Nc2ccc([O-])cc2F)CC1 ZINC000360855118 368520374 /nfs/dbraw/zinc/52/03/74/368520374.db2.gz VIQOBCBAEYBSJY-UHFFFAOYSA-N -1 3 281.331 1.107 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000361000202 368593078 /nfs/dbraw/zinc/59/30/78/368593078.db2.gz VITWZHXQGGTJGF-GFCCVEGCSA-N -1 3 289.335 1.022 10 0 CDAEHM CC[C@@H](CS(=O)(=O)[N-][C@@H](CC)c1nccs1)OC ZINC000420671208 244322038 /nfs/dbraw/zinc/32/20/38/244322038.db2.gz ISYHKEGVHSURNP-UWVGGRQHSA-N -1 3 292.426 1.939 10 0 CDAEHM C[C@@H]1COCCN(C(=O)/C=C/c2cncc([O-])c2)C1 ZINC000368050089 369335984 /nfs/dbraw/zinc/33/59/84/369335984.db2.gz YPYZXBPZJXCKFP-VUDBWIFFSA-N -1 3 262.309 1.295 10 0 CDAEHM COc1cc(=NC(=O)NC2(C)CCCC2)[n-]n1C ZINC000547517003 369575717 /nfs/dbraw/zinc/57/57/17/369575717.db2.gz PLGFWOWBTFKBQN-UHFFFAOYSA-N -1 3 252.318 1.305 10 0 CDAEHM O=C(CCC(=O)c1cccc(F)c1)[N-]OC[C@@H]1CCOC1 ZINC000276284511 193272046 /nfs/dbraw/zinc/27/20/46/193272046.db2.gz LSIIXYXDFMAQFL-LLVKDONJSA-N -1 3 295.310 1.873 10 0 CDAEHM COc1cc(=NC(=O)CCCc2ccccc2)[n-]n1C ZINC000547493517 369568867 /nfs/dbraw/zinc/56/88/67/369568867.db2.gz GETYZKYGQYPRRL-UHFFFAOYSA-N -1 3 273.336 1.812 10 0 CDAEHM COc1cc(=NC(=O)C(=O)c2ccc(Cl)cc2)[n-]n1C ZINC000547817166 369655679 /nfs/dbraw/zinc/65/56/79/369655679.db2.gz JGXJIZILQUEXQJ-UHFFFAOYSA-N -1 3 293.710 1.325 10 0 CDAEHM COc1cc(=NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)[n-]n1C ZINC000547839556 369665614 /nfs/dbraw/zinc/66/56/14/369665614.db2.gz LOAXKMKFQUWZJI-NWDGAFQWSA-N -1 3 292.383 1.941 10 0 CDAEHM CCC[C@@H]1CCCN(C(=O)N=c2cc(OC)n(C)[n-]2)C1 ZINC000547844553 369666331 /nfs/dbraw/zinc/66/63/31/369666331.db2.gz IZIYVOPBHLUYDM-LLVKDONJSA-N -1 3 280.372 1.895 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)c1 ZINC000548058013 369739700 /nfs/dbraw/zinc/73/97/00/369739700.db2.gz IIRDQERGXZJTPW-AWEZNQCLSA-N -1 3 289.331 1.521 10 0 CDAEHM CC(C)N(Cc1cc(=O)n2[n-]ccc2n1)[C@@H]1CCOC1 ZINC000582275278 369852900 /nfs/dbraw/zinc/85/29/00/369852900.db2.gz ZKTCHQPQROXJTM-GFCCVEGCSA-N -1 3 276.340 1.022 10 0 CDAEHM CC[C@H]1CCCN(C(=O)N=c2cc(OC)n(C)[n-]2)C1 ZINC000548495612 369878624 /nfs/dbraw/zinc/87/86/24/369878624.db2.gz CCDTZOGHRUIBKO-JTQLQIEISA-N -1 3 266.345 1.505 10 0 CDAEHM Cc1cccc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1[O-] ZINC000369824097 369888940 /nfs/dbraw/zinc/88/89/40/369888940.db2.gz JOGFWFVHTYFULK-NQBHXWOUSA-N -1 3 288.347 1.440 10 0 CDAEHM COc1ccc([C@@H]2CCCN2CCOCC(=O)[O-])cc1 ZINC000565310598 370415348 /nfs/dbraw/zinc/41/53/48/370415348.db2.gz XLHLVVJZWVNTKD-AWEZNQCLSA-N -1 3 279.336 1.933 10 0 CDAEHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C1(CCF)CC1 ZINC000565691110 370506796 /nfs/dbraw/zinc/50/67/96/370506796.db2.gz FWSHJZZEHGEUFA-UHFFFAOYSA-N -1 3 275.287 1.945 10 0 CDAEHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C1(CCF)CC1 ZINC000565691110 370506800 /nfs/dbraw/zinc/50/68/00/370506800.db2.gz FWSHJZZEHGEUFA-UHFFFAOYSA-N -1 3 275.287 1.945 10 0 CDAEHM CC[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H]1O ZINC000270586501 371040210 /nfs/dbraw/zinc/04/02/10/371040210.db2.gz UKWLZIJADHTMEI-BMIGLBTASA-N -1 3 286.331 1.783 10 0 CDAEHM Cn1cc(NC(=O)c2nc[n-]n2)c(C2CCCCC2)n1 ZINC000295709851 371415578 /nfs/dbraw/zinc/41/55/78/371415578.db2.gz BPHMGHOBWNQZID-UHFFFAOYSA-N -1 3 274.328 1.838 10 0 CDAEHM CC[C@H](C)[C@H](OC)C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000377087501 371428356 /nfs/dbraw/zinc/42/83/56/371428356.db2.gz YXRDAGWQJGEUNX-HZMBPMFUSA-N -1 3 288.351 1.893 10 0 CDAEHM O=c1[n-]c(C2CCN(C[C@H]3CCCCO3)CC2)n[nH]1 ZINC000377602876 371600091 /nfs/dbraw/zinc/60/00/91/371600091.db2.gz NKNZIEGZJXUBJN-LLVKDONJSA-N -1 3 266.345 1.259 10 0 CDAEHM Cc1cn2cc(NC([O-])=NOC(C)(C)CO)ccc2n1 ZINC000296569536 371824094 /nfs/dbraw/zinc/82/40/94/371824094.db2.gz SUTHYQMTEPYDHJ-UHFFFAOYSA-N -1 3 278.312 1.467 10 0 CDAEHM Cc1cn2cc(NC(=O)[N-]OC(C)(C)CO)ccc2n1 ZINC000296569536 371824099 /nfs/dbraw/zinc/82/40/99/371824099.db2.gz SUTHYQMTEPYDHJ-UHFFFAOYSA-N -1 3 278.312 1.467 10 0 CDAEHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC2)c1 ZINC000577814256 372121957 /nfs/dbraw/zinc/12/19/57/372121957.db2.gz MWNQPLMSSCDOGD-NWDGAFQWSA-N -1 3 283.397 1.616 10 0 CDAEHM C[C@@H]1COCC[C@@H]1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000193268912 372656337 /nfs/dbraw/zinc/65/63/37/372656337.db2.gz OAAIXPUXJQGJIF-ZJUUUORDSA-N -1 3 289.339 1.421 10 0 CDAEHM C[C@@H]1COCC[C@@H]1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000193268912 372656344 /nfs/dbraw/zinc/65/63/44/372656344.db2.gz OAAIXPUXJQGJIF-ZJUUUORDSA-N -1 3 289.339 1.421 10 0 CDAEHM COc1ccc(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)c([O-])c1 ZINC000177412626 372855198 /nfs/dbraw/zinc/85/51/98/372855198.db2.gz GIEXWKUDJQESLS-ZJUUUORDSA-N -1 3 292.335 1.175 10 0 CDAEHM CO[C@H](C)[C@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000191469175 373496418 /nfs/dbraw/zinc/49/64/18/373496418.db2.gz OQGXDLJBUKKAOF-VHSXEESVSA-N -1 3 274.320 1.681 10 0 CDAEHM COC(=O)[C@@H](C)CS(=O)(=O)[N-]Cc1ccc(Cl)o1 ZINC000610700716 374016558 /nfs/dbraw/zinc/01/65/58/374016558.db2.gz AGQFFZYKUHBLHO-ZETCQYMHSA-N -1 3 295.744 1.162 10 0 CDAEHM COc1cc(N)c(I)c([O-])c1 ZINC000575726632 374136904 /nfs/dbraw/zinc/13/69/04/374136904.db2.gz HEDCJEJSGDSDBW-UHFFFAOYSA-N -1 3 265.050 1.588 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC2(O)CCCC2)o1 ZINC000334197867 374552702 /nfs/dbraw/zinc/55/27/02/374552702.db2.gz LFMJNDBGMLXZPR-UHFFFAOYSA-N -1 3 259.327 1.171 10 0 CDAEHM COc1cc(C(=O)[N-]c2cncc(OC(C)C)n2)on1 ZINC000653960873 412827457 /nfs/dbraw/zinc/82/74/57/412827457.db2.gz HOKASDGHZXXDGE-UHFFFAOYSA-N -1 3 278.268 1.513 10 0 CDAEHM NC(=O)[C@@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000343008603 374833093 /nfs/dbraw/zinc/83/30/93/374833093.db2.gz HUTGSCDNTNEUII-ZDUSSCGKSA-N -1 3 270.288 1.349 10 0 CDAEHM CC[C@@H](C)OCC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000124654622 374827357 /nfs/dbraw/zinc/82/73/57/374827357.db2.gz OKUOXCORZJFKSO-SNVBAGLBSA-N -1 3 289.339 1.544 10 0 CDAEHM CC[C@@H](C)OCC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000124654622 374827361 /nfs/dbraw/zinc/82/73/61/374827361.db2.gz OKUOXCORZJFKSO-SNVBAGLBSA-N -1 3 289.339 1.544 10 0 CDAEHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000334284900 374775539 /nfs/dbraw/zinc/77/55/39/374775539.db2.gz BELJXLOINWFYSA-NEPJUHHUSA-N -1 3 262.309 1.037 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H](C)C1CCOCC1 ZINC000427170259 247107074 /nfs/dbraw/zinc/10/70/74/247107074.db2.gz LJJCDRHHGYKIGO-SSDOTTSWSA-N -1 3 281.312 1.197 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCNC(=O)CC1 ZINC000627757124 375633690 /nfs/dbraw/zinc/63/36/90/375633690.db2.gz OWZWXVNBFRUQFV-JTQLQIEISA-N -1 3 262.309 1.099 10 0 CDAEHM C[C@@H](C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)C(F)(F)F ZINC000427059993 247090161 /nfs/dbraw/zinc/09/01/61/247090161.db2.gz CVGKTJWWOXHXOH-ZETCQYMHSA-N -1 3 299.256 1.927 10 0 CDAEHM C[C@@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)C(F)(F)F ZINC000427059993 247090164 /nfs/dbraw/zinc/09/01/64/247090164.db2.gz CVGKTJWWOXHXOH-ZETCQYMHSA-N -1 3 299.256 1.927 10 0 CDAEHM CCC(=O)N1CSC[C@H]1C(=O)Nc1ncccc1[O-] ZINC000330540682 376257421 /nfs/dbraw/zinc/25/74/21/376257421.db2.gz ROUWVWSFZOHDPK-QMMMGPOBSA-N -1 3 281.337 1.037 10 0 CDAEHM CC[C@@H]1C[C@@H](C(=O)NCc2ncccc2[O-])CCO1 ZINC000331011941 376451420 /nfs/dbraw/zinc/45/14/20/376451420.db2.gz JMHGHSKXKHBIHL-WDEREUQCSA-N -1 3 264.325 1.609 10 0 CDAEHM Cc1nocc1S(=O)(=O)[N-]CCc1ccsc1 ZINC000631726719 376497719 /nfs/dbraw/zinc/49/77/19/376497719.db2.gz GUHUZPBZHVFMID-UHFFFAOYSA-N -1 3 272.351 1.566 10 0 CDAEHM O=S(=O)([N-][C@@H]1CCOC1)c1cccnc1C(F)(F)F ZINC000344726798 376748331 /nfs/dbraw/zinc/74/83/31/376748331.db2.gz QPDJKHGHRKRIER-SSDOTTSWSA-N -1 3 296.270 1.168 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CCCc2ccccn2)c1 ZINC000435214798 248157700 /nfs/dbraw/zinc/15/77/00/248157700.db2.gz SZWVPSFJQDCQDM-UHFFFAOYSA-N -1 3 294.380 1.209 10 0 CDAEHM COc1nnc(NC(=O)c2cn(C)c3ccc(F)cc23)[n-]1 ZINC000435806876 248195617 /nfs/dbraw/zinc/19/56/17/248195617.db2.gz GZYPBAGWFFXBMR-UHFFFAOYSA-N -1 3 289.270 1.696 10 0 CDAEHM COc1nc(NC(=O)c2cn(C)c3ccc(F)cc23)n[n-]1 ZINC000435806876 248195619 /nfs/dbraw/zinc/19/56/19/248195619.db2.gz GZYPBAGWFFXBMR-UHFFFAOYSA-N -1 3 289.270 1.696 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cn(C)c3ccc(F)cc23)n1 ZINC000435806876 248195620 /nfs/dbraw/zinc/19/56/20/248195620.db2.gz GZYPBAGWFFXBMR-UHFFFAOYSA-N -1 3 289.270 1.696 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)C1(N2CCOCC2)CC1 ZINC000631942115 376833047 /nfs/dbraw/zinc/83/30/47/376833047.db2.gz PPDNQKLAYNRDTF-UHFFFAOYSA-N -1 3 294.326 1.012 10 0 CDAEHM CC1(C)CC[C@H]([N-]S(=O)(=O)c2c[nH]c(=O)s2)C1 ZINC000632169684 377086376 /nfs/dbraw/zinc/08/63/76/377086376.db2.gz BNFYYVPLZMNBHX-ZETCQYMHSA-N -1 3 276.383 1.706 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCO[C@]2(CCOC2)C1 ZINC000186062942 296262518 /nfs/dbraw/zinc/26/25/18/296262518.db2.gz FZVNNALRRVAJRX-CQSZACIVSA-N -1 3 263.293 1.024 10 0 CDAEHM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1conc1C ZINC000632508826 377545355 /nfs/dbraw/zinc/54/53/55/377545355.db2.gz OWXHTRAFXXLPCE-WPRPVWTQSA-N -1 3 276.358 1.058 10 0 CDAEHM C[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632537945 377576878 /nfs/dbraw/zinc/57/68/78/377576878.db2.gz BFACZUJKAZSACE-MRVPVSSYSA-N -1 3 299.377 1.153 10 0 CDAEHM CC(C)(F)CC[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632557356 377599657 /nfs/dbraw/zinc/59/96/57/377599657.db2.gz LZKZQCCILGOBOC-UHFFFAOYSA-N -1 3 268.335 1.265 10 0 CDAEHM O=S(=O)(C[C@@H]1CCC1(F)F)[N-]Cc1ccns1 ZINC000632589842 377645241 /nfs/dbraw/zinc/64/52/41/377645241.db2.gz ZKMIMLWAOKADRK-ZETCQYMHSA-N -1 3 282.337 1.608 10 0 CDAEHM C/C=C\C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632599182 377655513 /nfs/dbraw/zinc/65/55/13/377655513.db2.gz KYEBORHDIUICKI-ARJAWSKDSA-N -1 3 283.275 1.293 10 0 CDAEHM O=S(=O)([N-][C@H](C1CCC1)[C@H]1CCCO1)c1ccco1 ZINC000632706239 377767490 /nfs/dbraw/zinc/76/74/90/377767490.db2.gz ZMMQOBIVICQLBZ-DGCLKSJQSA-N -1 3 285.365 1.906 10 0 CDAEHM O=S1(=O)CC[C@@H]([N-]C(=S)OCc2ccccc2)C1 ZINC000040167352 377795422 /nfs/dbraw/zinc/79/54/22/377795422.db2.gz YOJZFDMUGHGETF-LLVKDONJSA-N -1 3 285.390 1.265 10 0 CDAEHM COc1ccc(C(=O)N[C@@H]2CCCN(C)C2)c([O-])c1 ZINC000040452255 378089676 /nfs/dbraw/zinc/08/96/76/378089676.db2.gz VYDNYZNKVHWCOS-SNVBAGLBSA-N -1 3 264.325 1.225 10 0 CDAEHM CCC(CC)(CC)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633520308 378508948 /nfs/dbraw/zinc/50/89/48/378508948.db2.gz FHMPRDWQIZVYIK-UHFFFAOYSA-N -1 3 267.329 1.720 10 0 CDAEHM CCC1(C(=O)NCc2cc(=O)[n-]c(=O)[nH]2)CCC1 ZINC000633521695 378513067 /nfs/dbraw/zinc/51/30/67/378513067.db2.gz UONMJLXPPROHKB-UHFFFAOYSA-N -1 3 251.286 1.084 10 0 CDAEHM C[C@@H]1C[C@H](NC(=O)c2c[n-]c3ccccc3c2=O)[C@@H](C)O1 ZINC000634016231 378948842 /nfs/dbraw/zinc/94/88/42/378948842.db2.gz POWOSYBZUYHHRO-RULNRJAQSA-N -1 3 286.331 1.824 10 0 CDAEHM O=S(=O)([N-]CCc1ccccc1O)c1cncc(F)c1 ZINC000443185892 250013489 /nfs/dbraw/zinc/01/34/89/250013489.db2.gz SYLNRFSOGPFWIG-UHFFFAOYSA-N -1 3 296.323 1.447 10 0 CDAEHM O=C(CCCC(=O)C1CC1)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000449836826 251042794 /nfs/dbraw/zinc/04/27/94/251042794.db2.gz VHHMYNOTBUJRBD-UHFFFAOYSA-N -1 3 298.346 1.982 10 0 CDAEHM CCOC1(C)CN(C(=O)CCc2c(C)nc(C)[n-]c2=O)C1 ZINC000452273973 252005762 /nfs/dbraw/zinc/00/57/62/252005762.db2.gz ULGBPNHZFXHJLE-UHFFFAOYSA-N -1 3 293.367 1.369 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](C)O)o1 ZINC000660162942 412970263 /nfs/dbraw/zinc/97/02/63/412970263.db2.gz RQEKSCNLDXCKCM-RISCZKNCSA-N -1 3 295.360 1.988 10 0 CDAEHM CCCC[C@H](COC)NC(=O)NCc1ncccc1[O-] ZINC000471931948 252835056 /nfs/dbraw/zinc/83/50/56/252835056.db2.gz FFKSSBZVRRRQKN-LLVKDONJSA-N -1 3 281.356 1.792 10 0 CDAEHM COC(=O)c1cncc(NC([O-])=NOCCSC)c1 ZINC000281234115 195160341 /nfs/dbraw/zinc/16/03/41/195160341.db2.gz CZBRTORTSLUAMH-UHFFFAOYSA-N -1 3 285.325 1.284 10 0 CDAEHM COC(=O)c1cncc(NC(=O)[N-]OCCSC)c1 ZINC000281234115 195160343 /nfs/dbraw/zinc/16/03/43/195160343.db2.gz CZBRTORTSLUAMH-UHFFFAOYSA-N -1 3 285.325 1.284 10 0 CDAEHM COCC[C@@H](CO)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000281536762 195279800 /nfs/dbraw/zinc/27/98/00/195279800.db2.gz JOLBCTBZFSXNMK-LBPRGKRZSA-N -1 3 293.363 1.398 10 0 CDAEHM Cc1nc2[nH]ccc2c(Sc2nnc(CO)[n-]2)n1 ZINC000530531330 390222928 /nfs/dbraw/zinc/22/29/28/390222928.db2.gz CYZCFRVGXRAKTC-UHFFFAOYSA-N -1 3 262.298 1.028 10 0 CDAEHM Cc1nc2[nH]ccc2c(Sc2n[n-]c(CO)n2)n1 ZINC000530531330 390222930 /nfs/dbraw/zinc/22/29/30/390222930.db2.gz CYZCFRVGXRAKTC-UHFFFAOYSA-N -1 3 262.298 1.028 10 0 CDAEHM O=C(Nc1n[nH]c2cc(F)ccc21)c1cccc2nn[n-]c21 ZINC000530563729 390252565 /nfs/dbraw/zinc/25/25/65/390252565.db2.gz MFXACGRELDJNBX-UHFFFAOYSA-N -1 3 296.265 1.648 10 0 CDAEHM O=C(Nc1n[nH]c2cc(F)ccc21)c1cccc2[n-]nnc21 ZINC000530563729 390252568 /nfs/dbraw/zinc/25/25/68/390252568.db2.gz MFXACGRELDJNBX-UHFFFAOYSA-N -1 3 296.265 1.648 10 0 CDAEHM O=C(Nc1n[nH]c2cc(F)ccc21)c1cccc2n[n-]nc21 ZINC000530563729 390252569 /nfs/dbraw/zinc/25/25/69/390252569.db2.gz MFXACGRELDJNBX-UHFFFAOYSA-N -1 3 296.265 1.648 10 0 CDAEHM CN(C(=O)NCc1ccc([O-])c(F)c1)C1CCOCC1 ZINC000531066093 390483295 /nfs/dbraw/zinc/48/32/95/390483295.db2.gz ZLEKVVDUSPWMHP-UHFFFAOYSA-N -1 3 282.315 1.852 10 0 CDAEHM O=C(C[C@@H]1CCCO1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527208801 391003421 /nfs/dbraw/zinc/00/34/21/391003421.db2.gz ZHYBXRQICHZIGU-GXSJLCMTSA-N -1 3 265.313 1.191 10 0 CDAEHM CC[C@@H]1CCCCCN1C(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000408273724 391046515 /nfs/dbraw/zinc/04/65/15/391046515.db2.gz SICIILZAJXCMOW-MRVPVSSYSA-N -1 3 280.328 1.265 10 0 CDAEHM COc1ccc([O-])c(C(=O)NCc2noc(C3CC3)n2)c1 ZINC000345322057 391133367 /nfs/dbraw/zinc/13/33/67/391133367.db2.gz PJKSDLMDBFQWOZ-UHFFFAOYSA-N -1 3 289.291 1.591 10 0 CDAEHM C[C@@H]1CN(C(=O)c2csc(=O)[n-]2)[C@H](C)[C@@H](C)O1 ZINC000526929101 391229467 /nfs/dbraw/zinc/22/94/67/391229467.db2.gz MHYHYBSUAANBAR-BWZBUEFSSA-N -1 3 256.327 1.487 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)N(CCO)C[C@H]2C)c1 ZINC000416294881 391260011 /nfs/dbraw/zinc/26/00/11/391260011.db2.gz LNOZHQFFRWWKNN-QWHCGFSZSA-N -1 3 292.379 1.228 10 0 CDAEHM O=C([N-]c1nccn1-c1ccccc1)C(=O)N[C@@H]1CC12CC2 ZINC000425800094 391256248 /nfs/dbraw/zinc/25/62/48/391256248.db2.gz NETFEKXAUDUIKX-GFCCVEGCSA-N -1 3 296.330 1.480 10 0 CDAEHM Cc1ccc(C(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)c([O-])c1 ZINC000416321373 391275469 /nfs/dbraw/zinc/27/54/69/391275469.db2.gz ZZRLDAYUCSRYNH-STQMWFEESA-N -1 3 292.379 1.228 10 0 CDAEHM C[C@H]1OCCC[C@@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000189555606 391316265 /nfs/dbraw/zinc/31/62/65/391316265.db2.gz QVNIOPAQBPZKAK-KOLCDFICSA-N -1 3 267.300 1.963 10 0 CDAEHM O=C(Cc1cccc(O)c1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352983325 391319415 /nfs/dbraw/zinc/31/94/15/391319415.db2.gz DZBFVPDNJYPSBC-ZDUSSCGKSA-N -1 3 287.319 1.570 10 0 CDAEHM CC(C)CCCC(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000411107590 391390202 /nfs/dbraw/zinc/39/02/02/391390202.db2.gz GSBDXXRNXQAZNT-UHFFFAOYSA-N -1 3 279.344 1.462 10 0 CDAEHM CC(C)CCCC(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000411107590 391390205 /nfs/dbraw/zinc/39/02/05/391390205.db2.gz GSBDXXRNXQAZNT-UHFFFAOYSA-N -1 3 279.344 1.462 10 0 CDAEHM CC(C)CCCC(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000411107590 391390206 /nfs/dbraw/zinc/39/02/06/391390206.db2.gz GSBDXXRNXQAZNT-UHFFFAOYSA-N -1 3 279.344 1.462 10 0 CDAEHM CC(=O)N[C@@H](CC(=O)Nc1ccncc1[O-])c1ccccc1 ZINC000109889175 391394922 /nfs/dbraw/zinc/39/49/22/391394922.db2.gz DJFMCANYIGASIX-AWEZNQCLSA-N -1 3 299.330 1.993 10 0 CDAEHM C[C@@H](C(=O)Nc1cccc(F)c1)N(C)CCCC(=O)[O-] ZINC000430666507 391530463 /nfs/dbraw/zinc/53/04/63/391530463.db2.gz SWUPKOMSYUOKBP-JTQLQIEISA-N -1 3 282.315 1.949 10 0 CDAEHM CCOCC(C)(C)CNC(=O)NCc1ncccc1[O-] ZINC000341944263 130151119 /nfs/dbraw/zinc/15/11/19/130151119.db2.gz IAOWCRWRMPCLKU-UHFFFAOYSA-N -1 3 281.356 1.649 10 0 CDAEHM CCC(CC)(NCc1cncnc1OC)C(=O)[O-] ZINC000647646720 391777312 /nfs/dbraw/zinc/77/73/12/391777312.db2.gz KPIMDEQRRCDSLB-UHFFFAOYSA-N -1 3 253.302 1.218 10 0 CDAEHM COc1nnc(NC(=O)[C@H](C)Cc2ccccc2)[n-]1 ZINC000179373886 391779242 /nfs/dbraw/zinc/77/92/42/391779242.db2.gz PETSREAFBCIMFI-SECBINFHSA-N -1 3 260.297 1.631 10 0 CDAEHM COc1nc(NC(=O)[C@H](C)Cc2ccccc2)n[n-]1 ZINC000179373886 391779243 /nfs/dbraw/zinc/77/92/43/391779243.db2.gz PETSREAFBCIMFI-SECBINFHSA-N -1 3 260.297 1.631 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H](C)Cc2ccccc2)n1 ZINC000179373886 391779245 /nfs/dbraw/zinc/77/92/45/391779245.db2.gz PETSREAFBCIMFI-SECBINFHSA-N -1 3 260.297 1.631 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2C[C@H](O)CC[C@H]2C)n1 ZINC000421007010 391793598 /nfs/dbraw/zinc/79/35/98/391793598.db2.gz HJOMDPCZJVUXGF-MWLCHTKSSA-N -1 3 251.330 1.090 10 0 CDAEHM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000407986130 391797587 /nfs/dbraw/zinc/79/75/87/391797587.db2.gz KQKANVMELVFOGY-ZYHUDNBSSA-N -1 3 292.383 1.899 10 0 CDAEHM Cc1ccc([O-])c(CN2C[C@H](CO)OC(C)(C)C2)n1 ZINC000421363979 391866609 /nfs/dbraw/zinc/86/66/09/391866609.db2.gz RBFZVUCWOKZKSR-LLVKDONJSA-N -1 3 266.341 1.067 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2noc3c2CCCC3)o1 ZINC000334673445 391939812 /nfs/dbraw/zinc/93/98/12/391939812.db2.gz RYXBYKSOIYBTGA-UHFFFAOYSA-N -1 3 296.348 1.933 10 0 CDAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc2nc[nH]c2n1 ZINC000525967160 392008113 /nfs/dbraw/zinc/00/81/13/392008113.db2.gz SYTXZLUYWOZRDT-LLVKDONJSA-N -1 3 298.306 1.207 10 0 CDAEHM Cn1[n-]nnc1=NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000525192577 391964409 /nfs/dbraw/zinc/96/44/09/391964409.db2.gz MOBOFSODVOGLGH-ZYHUDNBSSA-N -1 3 292.412 1.189 10 0 CDAEHM CC[C@H]1CC[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)CC1 ZINC000479547399 392086425 /nfs/dbraw/zinc/08/64/25/392086425.db2.gz ODVVPYAKOBJPHT-ZKCHVHJHSA-N -1 3 280.328 1.169 10 0 CDAEHM Cn1cnnc1NC(=O)c1c[n-]nc1-c1ccc(F)cc1 ZINC000163053336 392020672 /nfs/dbraw/zinc/02/06/72/392020672.db2.gz SUOMJHQFPQVCGD-UHFFFAOYSA-N -1 3 286.270 1.597 10 0 CDAEHM C[C@H](C(=O)NCc1cccs1)N(C)CCCC(=O)[O-] ZINC000430671498 392039475 /nfs/dbraw/zinc/03/94/75/392039475.db2.gz QNYUGEWJPGVBMR-SNVBAGLBSA-N -1 3 284.381 1.549 10 0 CDAEHM C[C@@H](C(=O)N(C)Cc1ccccc1)N(C)CCCC(=O)[O-] ZINC000430674692 392039697 /nfs/dbraw/zinc/03/96/97/392039697.db2.gz CDDPHVSSDVIACC-ZDUSSCGKSA-N -1 3 292.379 1.830 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)c2cn(C3CCC3)nn2)n1 ZINC000648884226 392140495 /nfs/dbraw/zinc/14/04/95/392140495.db2.gz ZGBPVMBQANEVDL-UHFFFAOYSA-N -1 3 273.296 1.664 10 0 CDAEHM CCc1nccn1[C@H](C)CC(=O)NCc1ncccc1[O-] ZINC000648886736 392147851 /nfs/dbraw/zinc/14/78/51/392147851.db2.gz YVQZXCXAVGKINV-LLVKDONJSA-N -1 3 288.351 1.814 10 0 CDAEHM COc1cc(=NC(=O)[C@@H](OC)c2ccc(F)cc2)[n-]n1C ZINC000529060499 392238843 /nfs/dbraw/zinc/23/88/43/392238843.db2.gz JSKNZJHESJLFRC-ZDUSSCGKSA-N -1 3 293.298 1.316 10 0 CDAEHM Cc1cnc(C(=O)N(C)C[C@@H]2CCCN2C)c([O-])c1 ZINC000422030990 392184125 /nfs/dbraw/zinc/18/41/25/392184125.db2.gz BNSBOVDXMGIWNB-NSHDSACASA-N -1 3 263.341 1.262 10 0 CDAEHM CCc1ccc(C(=O)N2CC[C@]23CCOC3)c([O-])c1 ZINC000422080537 392203257 /nfs/dbraw/zinc/20/32/57/392203257.db2.gz ZPRYNKDMJZGCDP-OAHLLOKOSA-N -1 3 261.321 1.960 10 0 CDAEHM CC[C@@H](O)CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000422138670 392229328 /nfs/dbraw/zinc/22/93/28/392229328.db2.gz ZRZNRBKMNNWYTQ-MRVPVSSYSA-N -1 3 294.738 1.682 10 0 CDAEHM C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1cscn1 ZINC000645879782 392451580 /nfs/dbraw/zinc/45/15/80/392451580.db2.gz SZDBJELNPQEZKM-RNFRBKRXSA-N -1 3 264.397 1.315 10 0 CDAEHM CC[C@H]1[C@H](CO)CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000458430927 392528572 /nfs/dbraw/zinc/52/85/72/392528572.db2.gz WKWBNXFFKVNNAE-AAEUAGOBSA-N -1 3 296.342 1.834 10 0 CDAEHM COCCCCCN1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450915365 393003210 /nfs/dbraw/zinc/00/32/10/393003210.db2.gz PRUDYEPZUITBNL-UHFFFAOYSA-N -1 3 269.345 1.771 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-]CC2(CCO)CC2)c1 ZINC000451440396 393271884 /nfs/dbraw/zinc/27/18/84/393271884.db2.gz PPBHGOYMCGBKBM-UHFFFAOYSA-N -1 3 275.395 1.497 10 0 CDAEHM Cc1nn(C)c(C)c1S(=O)(=O)[N-]CCCC(C)(F)F ZINC000451608571 393359018 /nfs/dbraw/zinc/35/90/18/393359018.db2.gz NWVVOFZYJHGDOI-UHFFFAOYSA-N -1 3 295.355 1.751 10 0 CDAEHM CCc1onc(C)c1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000186105422 140054673 /nfs/dbraw/zinc/05/46/73/140054673.db2.gz KKEMQKPQILKGKF-UHFFFAOYSA-N -1 3 289.217 1.935 10 0 CDAEHM CCc1onc(C)c1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000186105422 140054675 /nfs/dbraw/zinc/05/46/75/140054675.db2.gz KKEMQKPQILKGKF-UHFFFAOYSA-N -1 3 289.217 1.935 10 0 CDAEHM CO[C@@H]1CC[C@@H](NC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000188291431 140092178 /nfs/dbraw/zinc/09/21/78/140092178.db2.gz OYNAZDMMAAUEIC-GHMZBOCLSA-N -1 3 286.331 1.825 10 0 CDAEHM Cc1nc(CN2CCC[C@@H]2c2nc(=N)n(C)[n-]2)c(C)o1 ZINC000660467923 413149069 /nfs/dbraw/zinc/14/90/69/413149069.db2.gz BOJKVWPOIDIEFK-LLVKDONJSA-N -1 3 276.344 1.170 10 0 CDAEHM Cc1cccc(C(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)c1[O-] ZINC000650939532 397716785 /nfs/dbraw/zinc/71/67/85/397716785.db2.gz FQAJRMALQLXKSE-CHWSQXEVSA-N -1 3 291.347 1.719 10 0 CDAEHM Cc1cnc(C)c([N-]S(=O)(=O)CCOCC2CC2)c1 ZINC000650489318 398016363 /nfs/dbraw/zinc/01/63/63/398016363.db2.gz IZGWVZHCLYNRAF-UHFFFAOYSA-N -1 3 284.381 1.867 10 0 CDAEHM C[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651574797 398106248 /nfs/dbraw/zinc/10/62/48/398106248.db2.gz IKULLARYDDGVIQ-YUMQZZPRSA-N -1 3 295.763 1.774 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1Cn1ccnc1 ZINC000179746486 148132145 /nfs/dbraw/zinc/13/21/45/148132145.db2.gz AGFUDQRZZLWMTI-GFCCVEGCSA-N -1 3 271.320 1.894 10 0 CDAEHM O=C(Nc1cccnc1-n1cncn1)c1cccc([O-])c1 ZINC000182244133 148250917 /nfs/dbraw/zinc/25/09/17/148250917.db2.gz MITYIDOCYFFYSY-UHFFFAOYSA-N -1 3 281.275 1.620 10 0 CDAEHM CC(C)C(=O)NCCN(C)C(=O)c1cccc([O-])c1 ZINC000182968477 148278137 /nfs/dbraw/zinc/27/81/37/148278137.db2.gz MPCFPJMDGCIKDI-UHFFFAOYSA-N -1 3 264.325 1.236 10 0 CDAEHM COc1nnc(NC(=O)C(C)(C)C2CCCC2)[n-]1 ZINC000182987242 148279468 /nfs/dbraw/zinc/27/94/68/148279468.db2.gz FGMXTTNPRJSKOR-UHFFFAOYSA-N -1 3 252.318 1.968 10 0 CDAEHM COc1nc(NC(=O)C(C)(C)C2CCCC2)n[n-]1 ZINC000182987242 148279471 /nfs/dbraw/zinc/27/94/71/148279471.db2.gz FGMXTTNPRJSKOR-UHFFFAOYSA-N -1 3 252.318 1.968 10 0 CDAEHM COc1n[n-]c(NC(=O)C(C)(C)C2CCCC2)n1 ZINC000182987242 148279473 /nfs/dbraw/zinc/27/94/73/148279473.db2.gz FGMXTTNPRJSKOR-UHFFFAOYSA-N -1 3 252.318 1.968 10 0 CDAEHM O=C(NC[C@H](O)Cc1ccccc1)c1cccc([O-])c1 ZINC000305807061 149166935 /nfs/dbraw/zinc/16/69/35/149166935.db2.gz GXUAFHGLTAJSJK-OAHLLOKOSA-N -1 3 271.316 1.726 10 0 CDAEHM O=C(NCc1ncccc1[O-])C1=Cc2ccccc2OC1 ZINC000352501609 155230291 /nfs/dbraw/zinc/23/02/91/155230291.db2.gz OZVDYYCRBQVTHV-UHFFFAOYSA-N -1 3 282.299 1.879 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1[nH]nc2ccccc21 ZINC000352501607 155230327 /nfs/dbraw/zinc/23/03/27/155230327.db2.gz OZOCSUUDKCRWNY-UHFFFAOYSA-N -1 3 268.276 1.594 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1n[nH]c2ccccc21 ZINC000352501607 155230329 /nfs/dbraw/zinc/23/03/29/155230329.db2.gz OZOCSUUDKCRWNY-UHFFFAOYSA-N -1 3 268.276 1.594 10 0 CDAEHM Cn1cc(C(=O)NCc2ncccc2[O-])c(-c2ccoc2)n1 ZINC000352500793 155230674 /nfs/dbraw/zinc/23/06/74/155230674.db2.gz LPEFEQREEKYQQW-UHFFFAOYSA-N -1 3 298.302 1.711 10 0 CDAEHM O=C(CNC(=O)CC1CCCC1)NCc1ncccc1[O-] ZINC000352508062 155235537 /nfs/dbraw/zinc/23/55/37/155235537.db2.gz LTGDYTUCDUDNMC-UHFFFAOYSA-N -1 3 291.351 1.100 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1ccc(-n2ccnn2)cc1 ZINC000352507625 155236001 /nfs/dbraw/zinc/23/60/01/155236001.db2.gz KTPZDOUPJPPIGF-UHFFFAOYSA-N -1 3 295.302 1.298 10 0 CDAEHM CC(C)(C)OC(=O)CCC(=O)NCc1ncccc1[O-] ZINC000352506669 155236104 /nfs/dbraw/zinc/23/61/04/155236104.db2.gz HZKROODNNOTEKI-UHFFFAOYSA-N -1 3 280.324 1.525 10 0 CDAEHM COc1ccc(C(=O)NCc2ncccc2[O-])cn1 ZINC000352515340 155240796 /nfs/dbraw/zinc/24/07/96/155240796.db2.gz GETQHCOHOLNNOA-UHFFFAOYSA-N -1 3 259.265 1.121 10 0 CDAEHM Cc1cccc(C(=O)N2CC3(C2)CCCOC3)c1[O-] ZINC000335849365 151071688 /nfs/dbraw/zinc/07/16/88/151071688.db2.gz BXLUKZBIXGINFG-UHFFFAOYSA-N -1 3 261.321 1.953 10 0 CDAEHM C[C@@H]1C[C@H](C)N1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000336081548 151253004 /nfs/dbraw/zinc/25/30/04/151253004.db2.gz CLKYNQRWRWTYKT-OCAPTIKFSA-N -1 3 273.292 1.585 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H]2C)c1 ZINC000336143781 151308056 /nfs/dbraw/zinc/30/80/56/151308056.db2.gz TUKZUWMLQMIMPK-PRHODGIISA-N -1 3 262.309 1.879 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCSC2)o1 ZINC000336251000 151391018 /nfs/dbraw/zinc/39/10/18/151391018.db2.gz YBGJCOBHXWHQIE-SECBINFHSA-N -1 3 261.368 1.619 10 0 CDAEHM COc1nnc(NC(=O)[C@H](C)c2cccc(C)c2)[n-]1 ZINC000352649099 155324248 /nfs/dbraw/zinc/32/42/48/155324248.db2.gz XCNPZQKKGBJWSN-SECBINFHSA-N -1 3 260.297 1.864 10 0 CDAEHM COc1nc(NC(=O)[C@H](C)c2cccc(C)c2)n[n-]1 ZINC000352649099 155324250 /nfs/dbraw/zinc/32/42/50/155324250.db2.gz XCNPZQKKGBJWSN-SECBINFHSA-N -1 3 260.297 1.864 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H](C)c2cccc(C)c2)n1 ZINC000352649099 155324253 /nfs/dbraw/zinc/32/42/53/155324253.db2.gz XCNPZQKKGBJWSN-SECBINFHSA-N -1 3 260.297 1.864 10 0 CDAEHM Cc1cnccc1NC(=O)NCc1ncccc1[O-] ZINC000346910965 153346302 /nfs/dbraw/zinc/34/63/02/153346302.db2.gz MIVDBCYJVCKARP-UHFFFAOYSA-N -1 3 258.281 1.234 10 0 CDAEHM COC(=O)[C@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000350416643 154379498 /nfs/dbraw/zinc/37/94/98/154379498.db2.gz RAFVRUATNRCITL-VIFPVBQESA-N -1 3 273.288 1.837 10 0 CDAEHM O=C(CCc1cncs1)NCc1ncccc1[O-] ZINC000352211538 155025961 /nfs/dbraw/zinc/02/59/61/155025961.db2.gz KXIPSELTPPPHGE-UHFFFAOYSA-N -1 3 263.322 1.493 10 0 CDAEHM CC(C)(C)c1n[nH]cc1C(=O)NCc1ncccc1[O-] ZINC000352214117 155029164 /nfs/dbraw/zinc/02/91/64/155029164.db2.gz XYAJPVKGSSSFAW-UHFFFAOYSA-N -1 3 274.324 1.738 10 0 CDAEHM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1ccoc1 ZINC000352329833 155099190 /nfs/dbraw/zinc/09/91/90/155099190.db2.gz MAFUGKVKARKLFX-UHFFFAOYSA-N -1 3 269.244 1.900 10 0 CDAEHM Cc1nc(C)c(CNC(=O)c2ccc3n[n-]nc3c2)o1 ZINC000353705125 156028059 /nfs/dbraw/zinc/02/80/59/156028059.db2.gz BIYOVVMAMQWTMG-UHFFFAOYSA-N -1 3 271.280 1.493 10 0 CDAEHM O=C(Cc1ccccc1O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000371503631 160018794 /nfs/dbraw/zinc/01/87/94/160018794.db2.gz MRJYAIHPKCNMCD-UHFFFAOYSA-N -1 3 294.314 1.780 10 0 CDAEHM NC(=O)c1ccccc1CN1CCC(C(=O)[O-])CC1 ZINC000035299629 172114397 /nfs/dbraw/zinc/11/43/97/172114397.db2.gz REJWTYCWXNDKLZ-UHFFFAOYSA-N -1 3 262.309 1.082 10 0 CDAEHM C[C@H]1CN(c2nc3nncc-3c(O)[n-]2)C[C@@](C)(C(F)F)O1 ZINC000664687914 413595784 /nfs/dbraw/zinc/59/57/84/413595784.db2.gz PIWJZMILAMQNDN-QTTZVWFDSA-N -1 3 299.281 1.307 10 0 CDAEHM COc1nnc([N-]C(=O)c2nc(C)oc2C)s1 ZINC000660356159 413603731 /nfs/dbraw/zinc/60/37/31/413603731.db2.gz QAHMYSFAWPUPMB-UHFFFAOYSA-N -1 3 254.271 1.404 10 0 CDAEHM Cc1cccc([O-])c1NC(=O)C[C@@H](C)NC(N)=O ZINC000654979471 413867511 /nfs/dbraw/zinc/86/75/11/413867511.db2.gz NWCOJNWZZPDWRS-MRVPVSSYSA-N -1 3 251.286 1.086 10 0 CDAEHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccccn1 ZINC000657057542 413880382 /nfs/dbraw/zinc/88/03/82/413880382.db2.gz HXFHCANJBVOSSJ-LBPRGKRZSA-N -1 3 284.381 1.565 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H](Cn3ccnn3)C2)n1 ZINC000661138376 413818470 /nfs/dbraw/zinc/81/84/70/413818470.db2.gz ALBSFYVXCBDKBC-NEPJUHHUSA-N -1 3 288.355 1.165 10 0 CDAEHM C[C@@H]1CCCCN1CCNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000663112608 413950070 /nfs/dbraw/zinc/95/00/70/413950070.db2.gz MKVVSLIZMYQPGK-OCCSQVGLSA-N -1 3 296.411 1.868 10 0 CDAEHM CCCCS(=O)(=O)[N-][C@@H]1Cc2ccccc2N(C)C1=O ZINC000657071045 413903999 /nfs/dbraw/zinc/90/39/99/413903999.db2.gz MMMSWRHMUCAMDC-GFCCVEGCSA-N -1 3 296.392 1.294 10 0 CDAEHM C[C@]1(C[N-]S(=O)(=O)c2cncc(F)c2)CC1(F)F ZINC000657156637 413978415 /nfs/dbraw/zinc/97/84/15/413978415.db2.gz PKRWQKGXHDPOCZ-SECBINFHSA-N -1 3 280.271 1.544 10 0 CDAEHM C[C@@]1(C[N-]S(=O)(=O)c2ccoc2)CC1(F)F ZINC000657155365 413989130 /nfs/dbraw/zinc/98/91/30/413989130.db2.gz IJAIXJHBISCWFT-QMMMGPOBSA-N -1 3 251.254 1.603 10 0 CDAEHM Cc1cccc(S(=O)(=O)[N-][C@@H]2C[C@@H](O)C23CCC3)c1F ZINC000657190304 414025180 /nfs/dbraw/zinc/02/51/80/414025180.db2.gz WJBAPNPBMBDGLX-VXGBXAGGSA-N -1 3 299.367 1.716 10 0 CDAEHM Cc1ccc(C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)c([O-])c1 ZINC000285672744 196361909 /nfs/dbraw/zinc/36/19/09/196361909.db2.gz BCPHUYYXKLJGDN-FZMZJTMJSA-N -1 3 295.379 1.588 10 0 CDAEHM C[C@](NC1CC1)(C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000037183401 173015632 /nfs/dbraw/zinc/01/56/32/173015632.db2.gz JVJLIKXRJDFOED-CYBMUJFWSA-N -1 3 283.349 1.142 10 0 CDAEHM C[C@@H](NCCC(=O)[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000037308594 173111310 /nfs/dbraw/zinc/11/13/10/173111310.db2.gz OCPREXCFMMXCCY-MRVPVSSYSA-N -1 3 264.281 1.143 10 0 CDAEHM O=C([O-])[C@@]1(N2CCCCC2)COc2cc(O)ccc21 ZINC000037361727 173150671 /nfs/dbraw/zinc/15/06/71/173150671.db2.gz MLPXPWGSRRNEGJ-CQSZACIVSA-N -1 3 263.293 1.550 10 0 CDAEHM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000655160725 414136215 /nfs/dbraw/zinc/13/62/15/414136215.db2.gz NMUZNDFZJWFCNE-GARJFASQSA-N -1 3 273.336 1.978 10 0 CDAEHM O=c1cc(CN2CCC[C@@H](CCF)C2)nc2cc[n-]n21 ZINC000661690076 414282966 /nfs/dbraw/zinc/28/29/66/414282966.db2.gz INIXLHHTNISVHX-NSHDSACASA-N -1 3 278.331 1.594 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC2CCC(O)CC2)o1 ZINC000660024657 414367643 /nfs/dbraw/zinc/36/76/43/414367643.db2.gz FTNSVXBPBXNMBH-UHFFFAOYSA-N -1 3 273.354 1.417 10 0 CDAEHM CCN(CCC(=O)OC)C(=O)c1ccc([O-])cc1 ZINC000038023449 174005540 /nfs/dbraw/zinc/00/55/40/174005540.db2.gz UUILIXKTEZBIIR-UHFFFAOYSA-N -1 3 251.282 1.417 10 0 CDAEHM CCN(CCC(=O)[O-])[C@@H](C)C(=O)NC1CCCC1 ZINC000038025066 174009480 /nfs/dbraw/zinc/00/94/80/174009480.db2.gz BLQRKNKCCYXNEN-JTQLQIEISA-N -1 3 256.346 1.230 10 0 CDAEHM CC(C)([N-]S(=O)(=O)c1ccc(F)cc1F)C(N)=S ZINC000040350084 174244383 /nfs/dbraw/zinc/24/43/83/174244383.db2.gz LCDPYVKSQOWTCR-UHFFFAOYSA-N -1 3 294.348 1.308 10 0 CDAEHM O=C([O-])c1ccc2c(c1)CCN2C(=O)CNCC1CC1 ZINC000040480859 174285006 /nfs/dbraw/zinc/28/50/06/174285006.db2.gz LEORTTWPCOPCRW-UHFFFAOYSA-N -1 3 274.320 1.274 10 0 CDAEHM CCC1CCC(NC(=O)[C@](C)(N)C2CC2)(C(=O)[O-])CC1 ZINC000040481457 174285254 /nfs/dbraw/zinc/28/52/54/174285254.db2.gz CFUNELWAKYXZRJ-CIQACWJJSA-N -1 3 282.384 1.654 10 0 CDAEHM CCC[C@@](C)(NC(=O)C[C@H](N)c1ccccc1)C(=O)[O-] ZINC000040482849 174286557 /nfs/dbraw/zinc/28/65/57/174286557.db2.gz MTMFKWMZMUMHQO-SWLSCSKDSA-N -1 3 278.352 1.836 10 0 CDAEHM Cc1ccccc1N(CCC(=O)[O-])C(=O)[C@@](C)(N)C1CC1 ZINC000040483968 174287453 /nfs/dbraw/zinc/28/74/53/174287453.db2.gz QCSVRYOZZRAOHM-INIZCTEOSA-N -1 3 290.363 1.930 10 0 CDAEHM CC(C)[C@H](N)C(=O)N(CCC(=O)[O-])c1ccccc1 ZINC000040483881 174287490 /nfs/dbraw/zinc/28/74/90/174287490.db2.gz ONKXROGXFUELIU-ZDUSSCGKSA-N -1 3 264.325 1.478 10 0 CDAEHM C[C@H](N)C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC000040486498 174288963 /nfs/dbraw/zinc/28/89/63/174288963.db2.gz JUXATYNEEWGKHI-YFKPBYRVSA-N -1 3 287.113 1.433 10 0 CDAEHM CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000040633723 174360135 /nfs/dbraw/zinc/36/01/35/174360135.db2.gz OIEFPFVTNBQOKZ-GZMMTYOYSA-N -1 3 298.726 1.354 10 0 CDAEHM CN1CCC[C@@H](NC(=O)Nc2ccc(F)cc2C(=O)[O-])C1 ZINC000040716389 174383160 /nfs/dbraw/zinc/38/31/60/174383160.db2.gz FPICBMJIKQRAHZ-SNVBAGLBSA-N -1 3 295.314 1.740 10 0 CDAEHM Cc1nc(=O)n([C@H]2CCCN(C)C2)c(C)c1CCC(=O)[O-] ZINC000040716069 174383673 /nfs/dbraw/zinc/38/36/73/174383673.db2.gz CYPPTOUAMRRWAH-LBPRGKRZSA-N -1 3 293.367 1.144 10 0 CDAEHM CN1CC[C@@H](NC(=O)NCC2(CC(=O)[O-])CCCCC2)C1 ZINC000043414356 175037851 /nfs/dbraw/zinc/03/78/51/175037851.db2.gz ARDIDYHDFRMKSE-GFCCVEGCSA-N -1 3 297.399 1.415 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000043594662 175075386 /nfs/dbraw/zinc/07/53/86/175075386.db2.gz GECMAUNNBCDDCK-LEWSCRJBSA-N -1 3 290.363 1.570 10 0 CDAEHM CCN1CCC[C@@H]1Cn1c(C)c(C(=O)[O-])c(C)cc1=O ZINC000043672798 175087475 /nfs/dbraw/zinc/08/74/75/175087475.db2.gz WKBIGTUHVRURNT-GFCCVEGCSA-N -1 3 278.352 1.648 10 0 CDAEHM CN1CCC[C@H](CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])C1 ZINC000044536171 175198292 /nfs/dbraw/zinc/19/82/92/175198292.db2.gz CJWJZSPLGCSYIN-UPJWGTAASA-N -1 3 280.368 1.111 10 0 CDAEHM CN1CCCC[C@@H]1CNc1ccc(C(=O)[O-])cc1N ZINC000044560414 175204255 /nfs/dbraw/zinc/20/42/55/175204255.db2.gz LKZYVTXYEMWKOY-LLVKDONJSA-N -1 3 263.341 1.863 10 0 CDAEHM CCN(CC(=O)[O-])C(=O)C[C@H](N)c1ccccc1 ZINC000044624382 175220499 /nfs/dbraw/zinc/22/04/99/175220499.db2.gz OLLQGBJFEZOAKL-NSHDSACASA-N -1 3 250.298 1.010 10 0 CDAEHM CCOC[C@H](C)[N-]S(=O)(=O)c1cc(N)cs1 ZINC000044687509 175232410 /nfs/dbraw/zinc/23/24/10/175232410.db2.gz IKJHSTVTWAACHY-ZETCQYMHSA-N -1 3 264.372 1.034 10 0 CDAEHM Cc1ccc(CN2CCN([C@H](C)C(=O)[O-])CC2)cc1 ZINC000044881176 175269556 /nfs/dbraw/zinc/26/95/56/175269556.db2.gz ZQQDLSVBLUWCJY-CYBMUJFWSA-N -1 3 262.353 1.586 10 0 CDAEHM Cc1cc(CN[C@@H](C)c2c(C)nc(C)[n-]c2=O)on1 ZINC000044987374 175285005 /nfs/dbraw/zinc/28/50/05/175285005.db2.gz AHKRFAQYCKBIBJ-QMMMGPOBSA-N -1 3 262.313 1.534 10 0 CDAEHM C[C@H](CNC(=O)NC(C)(C)C(=O)[O-])N1CCCCC1 ZINC000045013390 175290437 /nfs/dbraw/zinc/29/04/37/175290437.db2.gz HGRRLSPTZRAFPD-SNVBAGLBSA-N -1 3 271.361 1.023 10 0 CDAEHM CC(C)(Nc1c(C(=O)[O-])cnc2ccccc21)C(N)=O ZINC000045110097 175310143 /nfs/dbraw/zinc/31/01/43/175310143.db2.gz OXDYBUNXHNLNEV-UHFFFAOYSA-N -1 3 273.292 1.609 10 0 CDAEHM C/C(C(=O)[O-])=C(\C)C(=O)N[C@H](CN(C)C)C(C)C ZINC000071165687 176048039 /nfs/dbraw/zinc/04/80/39/176048039.db2.gz QQRBQHVBOKIPEC-DWOQACPDSA-N -1 3 256.346 1.110 10 0 CDAEHM Cc1cccc(NC(=O)[C@](C)(N)C2CC2)c1C(=O)[O-] ZINC000071171358 176051610 /nfs/dbraw/zinc/05/16/10/176051610.db2.gz ULJOIQSZDNZXDY-CQSZACIVSA-N -1 3 262.309 1.759 10 0 CDAEHM Cc1cccc(NC(=O)N[C@@H]2CCN(C)C2)c1C(=O)[O-] ZINC000071172012 176052240 /nfs/dbraw/zinc/05/22/40/176052240.db2.gz FOYSMAPGEGPZCJ-SNVBAGLBSA-N -1 3 277.324 1.519 10 0 CDAEHM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(CN)c2)n(C)n1 ZINC000071238981 176093760 /nfs/dbraw/zinc/09/37/60/176093760.db2.gz VCZAFHVYEOHXFF-UHFFFAOYSA-N -1 3 298.343 1.127 10 0 CDAEHM CC[C@@H](OC1CCCC1)C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000547815877 289811985 /nfs/dbraw/zinc/81/19/85/289811985.db2.gz UTULTVRZHKUDFG-LLVKDONJSA-N -1 3 281.356 1.527 10 0 CDAEHM CCc1cc(=O)[n-]c(CNC2(CCO)CCCC2)n1 ZINC000660682986 423786951 /nfs/dbraw/zinc/78/69/51/423786951.db2.gz XXEKGOMGPGBYJJ-UHFFFAOYSA-N -1 3 265.357 1.529 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCC2(CO)CCC2)o1 ZINC000651906620 423878765 /nfs/dbraw/zinc/87/87/65/423878765.db2.gz BXARIVKTJABRPS-UHFFFAOYSA-N -1 3 273.354 1.419 10 0 CDAEHM CCc1ncnc(N2CCC[C@H]2c2nc(=N)n(C)[n-]2)c1F ZINC000663961157 424076190 /nfs/dbraw/zinc/07/61/90/424076190.db2.gz FNYVUSQFEGGVQE-VIFPVBQESA-N -1 3 291.334 1.061 10 0 CDAEHM CCN(C(=O)c1cccc2[n-]nnc21)[C@@H]1CCCOC1 ZINC000652816034 424251364 /nfs/dbraw/zinc/25/13/64/424251364.db2.gz RWIJIVDCKYPBEV-SNVBAGLBSA-N -1 3 274.324 1.599 10 0 CDAEHM CCN(C(=O)c1cccc2nn[n-]c21)[C@@H]1CCCOC1 ZINC000652816034 424251369 /nfs/dbraw/zinc/25/13/69/424251369.db2.gz RWIJIVDCKYPBEV-SNVBAGLBSA-N -1 3 274.324 1.599 10 0 CDAEHM CCN(C(=O)c1cccc2n[n-]nc21)[C@@H]1CCCOC1 ZINC000652816034 424251374 /nfs/dbraw/zinc/25/13/74/424251374.db2.gz RWIJIVDCKYPBEV-SNVBAGLBSA-N -1 3 274.324 1.599 10 0 CDAEHM Cc1noc(C)c1[N-]C(=O)c1ccc2c(n1)OCCO2 ZINC000653595543 424319512 /nfs/dbraw/zinc/31/95/12/424319512.db2.gz MKKMREJVUZORCA-UHFFFAOYSA-N -1 3 275.264 1.710 10 0 CDAEHM O=C([O-])CCN(C[C@H](O)C(F)(F)F)CC1CC1 ZINC000652468057 424464327 /nfs/dbraw/zinc/46/43/27/424464327.db2.gz UXTSUBIIUNUSEW-QMMMGPOBSA-N -1 3 255.236 1.096 10 0 CDAEHM Cc1ccc([O-])c(CN2CCOC[C@@H]2c2ccnn2C)n1 ZINC000652054768 424635769 /nfs/dbraw/zinc/63/57/69/424635769.db2.gz LCXVTVXETMAMFF-CQSZACIVSA-N -1 3 288.351 1.403 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2C[C@@H](O)CC[C@H]2C)c1 ZINC000399240482 270371977 /nfs/dbraw/zinc/37/19/77/270371977.db2.gz INKGVZHLVSUXOT-ZJUUUORDSA-N -1 3 265.309 1.386 10 0 CDAEHM C[C@@H](CO)N(C)C(=O)c1cc([O-])cc(Br)c1 ZINC000529300276 270919344 /nfs/dbraw/zinc/91/93/44/270919344.db2.gz BJKTVHOQYQPRPF-ZETCQYMHSA-N -1 3 288.141 1.608 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)CC[S@](=O)C1 ZINC000277567473 288045688 /nfs/dbraw/zinc/04/56/88/288045688.db2.gz NSYNUUZJWRMHSG-MGNBDDOMSA-N -1 3 267.350 1.233 10 0 CDAEHM CC(C)N(C(=O)CN1CC[C@@H](C(=O)[O-])C1)C1CCCCC1 ZINC000062133648 279282912 /nfs/dbraw/zinc/28/29/12/279282912.db2.gz YMWHLJSLYXPKGP-CYBMUJFWSA-N -1 3 296.411 1.963 10 0 CDAEHM CCN1CN(Cc2cc([O-])ccc2Br)CC1=O ZINC000191842216 279974399 /nfs/dbraw/zinc/97/43/99/279974399.db2.gz VHZHUMFPASCPCM-UHFFFAOYSA-N -1 3 299.168 1.776 10 0 CDAEHM COc1cccc(C(=O)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1[O-] ZINC000529985553 281408917 /nfs/dbraw/zinc/40/89/17/281408917.db2.gz LRWXIQYPQLYTDM-DNJQJEMRSA-N -1 3 279.336 1.943 10 0 CDAEHM COc1cc(=NC(=O)c2ccccc2Cl)[n-]n1C ZINC000547817630 289812185 /nfs/dbraw/zinc/81/21/85/289812185.db2.gz NPUNISZDQWBRFV-UHFFFAOYSA-N -1 3 265.700 1.756 10 0 CDAEHM CCN(CC1CC1)C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000547838197 289815095 /nfs/dbraw/zinc/81/50/95/289815095.db2.gz PIUVOFDAGRVPAM-UHFFFAOYSA-N -1 3 252.318 1.114 10 0 CDAEHM COc1cc(=NC(=O)[C@@H](C)Oc2cccc(C)c2)[n-]n1C ZINC000548471932 289891653 /nfs/dbraw/zinc/89/16/53/289891653.db2.gz SSIJQFIRYVBNDN-LLVKDONJSA-N -1 3 289.335 1.565 10 0 CDAEHM COc1ccc([O-])c(C(=O)NCc2cccc(CO)n2)c1 ZINC000549714759 289973675 /nfs/dbraw/zinc/97/36/75/289973675.db2.gz TYHPLQWRJKMWFY-UHFFFAOYSA-N -1 3 288.303 1.218 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CCC2CCCC2)nc1=N ZINC000550110997 289982594 /nfs/dbraw/zinc/98/25/94/289982594.db2.gz XEVOWAZIXDHHER-LBPRGKRZSA-N -1 3 291.399 1.862 10 0 CDAEHM C[C@]1(C[N-]S(=O)(=O)C[C@@H]2CCCC2(F)F)CCCO1 ZINC000556307218 290263124 /nfs/dbraw/zinc/26/31/24/290263124.db2.gz SNKFIICRSVJYFB-WDEREUQCSA-N -1 3 297.367 1.910 10 0 CDAEHM O=S(=O)(CC1CC1)[N-]Cc1noc(-c2ccccc2)n1 ZINC000558693688 290417824 /nfs/dbraw/zinc/41/78/24/290417824.db2.gz OJCHTTBSXIILHH-UHFFFAOYSA-N -1 3 293.348 1.566 10 0 CDAEHM CC1CCN(CCN=c2[n-]c(C3CCC3)no2)CC1 ZINC000560193522 290477189 /nfs/dbraw/zinc/47/71/89/290477189.db2.gz CCGHXDGBAAOXMZ-UHFFFAOYSA-N -1 3 264.373 1.903 10 0 CDAEHM CCCc1ncc(CN=c2ncnc3[nH][n-]cc2-3)o1 ZINC000560227407 290478533 /nfs/dbraw/zinc/47/85/33/290478533.db2.gz FJOJPRRZERYFTP-UHFFFAOYSA-N -1 3 258.285 1.279 10 0 CDAEHM CC1(C)CC(CC(=O)N2CCc3nc[n-]c(=O)c3C2)C1 ZINC000560331341 293020491 /nfs/dbraw/zinc/02/04/91/293020491.db2.gz PKENDHQJECTRLE-UHFFFAOYSA-N -1 3 275.352 1.893 10 0 CDAEHM C[C@H](CC(=O)N1CCc2c(=O)[n-]cnc2C1)n1cccc1 ZINC000561390061 293082588 /nfs/dbraw/zinc/08/25/88/293082588.db2.gz MWSSYXHLNMYPBS-LLVKDONJSA-N -1 3 286.335 1.520 10 0 CDAEHM CO[C@@H]1[C@H](C)[C@@H]([N-]S(=O)(=O)c2cscn2)C1(C)C ZINC000564911953 293454147 /nfs/dbraw/zinc/45/41/47/293454147.db2.gz CJWPVXCXTIHVJL-SZEHBUNVSA-N -1 3 290.410 1.481 10 0 CDAEHM CCCn1ncc([N-]S(=O)(=O)N2CCC2)c1C1CC1 ZINC000565814864 293688794 /nfs/dbraw/zinc/68/87/94/293688794.db2.gz KUOURQRDWYGFIE-UHFFFAOYSA-N -1 3 284.385 1.533 10 0 CDAEHM O=c1cc(CN2C[C@@H](O)C3(CC3)C2)nc(C2CC2)[n-]1 ZINC000570536501 294258694 /nfs/dbraw/zinc/25/86/94/294258694.db2.gz WQVCJTYVFVXAMZ-LLVKDONJSA-N -1 3 261.325 1.016 10 0 CDAEHM O=C(c1c([O-])cccc1O)N1CCO[C@@]2(CCSC2)C1 ZINC000574208340 294965174 /nfs/dbraw/zinc/96/51/74/294965174.db2.gz LTVRMJHGNDTBRO-AWEZNQCLSA-N -1 3 295.360 1.446 10 0 CDAEHM Cc1cnc(C(=O)NC(C)(C)CN2CCCC2)c([O-])c1 ZINC000457049526 302334609 /nfs/dbraw/zinc/33/46/09/302334609.db2.gz JZFJCPLFBXLDDW-UHFFFAOYSA-N -1 3 277.368 1.700 10 0 CDAEHM Nc1cnc(N2CCN(c3ccncc3)CC2)c(C(=O)[O-])c1 ZINC000049455797 303502600 /nfs/dbraw/zinc/50/26/00/303502600.db2.gz USMSXTDYDRCCCA-UHFFFAOYSA-N -1 3 299.334 1.084 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CC[C@H](O)CC12CCC2 ZINC000563412034 316300341 /nfs/dbraw/zinc/30/03/41/316300341.db2.gz ICTKGTPIPYZVBS-LBPRGKRZSA-N -1 3 276.336 1.236 10 0 CDAEHM CCOCC(C)(C)[N-]S(=O)(=O)c1cscn1 ZINC000563532796 316325826 /nfs/dbraw/zinc/32/58/26/316325826.db2.gz PEYZRWDUZKHTLB-UHFFFAOYSA-N -1 3 264.372 1.237 10 0 CDAEHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cscn2)C1 ZINC000563807761 316374011 /nfs/dbraw/zinc/37/40/11/316374011.db2.gz PNOHKKNDGHQACB-DTORHVGOSA-N -1 3 276.383 1.377 10 0 CDAEHM CC(C)[C@@H](C(=O)N=c1cc(C(F)(F)F)[n-][nH]1)[C@@H](C)N ZINC000566190603 316507224 /nfs/dbraw/zinc/50/72/24/316507224.db2.gz ILZPBPXQJLQDNO-HZGVNTEJSA-N -1 3 278.278 1.408 10 0 CDAEHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cscn2)C(C)(C)O1 ZINC000576939914 317234327 /nfs/dbraw/zinc/23/43/27/317234327.db2.gz REVAKAUBCGOXEO-MRVPVSSYSA-N -1 3 290.410 1.768 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@@H]2CC23CCCC3)nc1=N ZINC000577378709 317318023 /nfs/dbraw/zinc/31/80/23/317318023.db2.gz AJFNTSVFDJLSMF-QWRGUYRKSA-N -1 3 289.383 1.471 10 0 CDAEHM CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000183253406 323326883 /nfs/dbraw/zinc/32/68/83/323326883.db2.gz FEMQMQCBIJXLMN-LLVKDONJSA-N -1 3 298.339 1.781 10 0 CDAEHM C[C@@H](NC(=O)CNC(=O)c1cccc([O-])c1)C(C)(C)C ZINC000579606326 324233389 /nfs/dbraw/zinc/23/33/89/324233389.db2.gz FTPDQUVLZONQAB-SNVBAGLBSA-N -1 3 278.352 1.673 10 0 CDAEHM Cc1ccccc1OCCCN1CCC(O)(C(=O)[O-])CC1 ZINC000580898333 324593317 /nfs/dbraw/zinc/59/33/17/324593317.db2.gz XIOAYOGRDXAFJE-UHFFFAOYSA-N -1 3 293.363 1.675 10 0 CDAEHM CCCCc1noc([C@H](C)Sc2n[n-]c(CO)n2)n1 ZINC000582040944 324888360 /nfs/dbraw/zinc/88/83/60/324888360.db2.gz GLHSGFRBEBWQDZ-ZETCQYMHSA-N -1 3 283.357 1.876 10 0 CDAEHM CO[C@H]1CN(C(=O)Cc2cncc([O-])c2)CC[C@H]1C ZINC000583510201 325192227 /nfs/dbraw/zinc/19/22/27/325192227.db2.gz KFUWKYLWWXYEKK-MFKMUULPSA-N -1 3 264.325 1.213 10 0 CDAEHM CCC[C@@H](NC(=O)[C@@H](N)CC1CCCCC1)C(=O)[O-] ZINC000311791130 482482395 /nfs/dbraw/zinc/48/23/95/482482395.db2.gz AGGMSQBXHVKJLZ-NWDGAFQWSA-N -1 3 270.373 1.654 10 0 CDAEHM C[C@H](C(=O)Nc1nnc(-c2ccccn2)[n-]1)c1cncnc1 ZINC000683918191 482551165 /nfs/dbraw/zinc/55/11/65/482551165.db2.gz IHEUUNJIQIGEBT-VIFPVBQESA-N -1 3 295.306 1.399 10 0 CDAEHM C[C@H](C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1cncnc1 ZINC000683918191 482551169 /nfs/dbraw/zinc/55/11/69/482551169.db2.gz IHEUUNJIQIGEBT-VIFPVBQESA-N -1 3 295.306 1.399 10 0 CDAEHM C[C@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1cncnc1 ZINC000683918191 482551172 /nfs/dbraw/zinc/55/11/72/482551172.db2.gz IHEUUNJIQIGEBT-VIFPVBQESA-N -1 3 295.306 1.399 10 0 CDAEHM CCN1CC[C@@H]([N-]c2nc3cc(F)ccc3o2)C1=O ZINC000669973170 482574904 /nfs/dbraw/zinc/57/49/04/482574904.db2.gz RNDGFXRYNLVSHV-SECBINFHSA-N -1 3 263.272 2.000 10 0 CDAEHM Cn1ncc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000672431396 482593063 /nfs/dbraw/zinc/59/30/63/482593063.db2.gz ZFEFJXVAPPQLMP-SSDOTTSWSA-N -1 3 299.730 1.540 10 0 CDAEHM Cc1noc(C)c1[C@@H](C)NC(=O)NCc1ncccc1[O-] ZINC000684265574 482727131 /nfs/dbraw/zinc/72/71/31/482727131.db2.gz HRWWSUUOWYMHGY-MRVPVSSYSA-N -1 3 290.323 1.952 10 0 CDAEHM CC1(C(=O)NCc2ncccc2[O-])CCOCC1 ZINC000684350274 482766825 /nfs/dbraw/zinc/76/68/25/482766825.db2.gz JNYVNHWSVMGJPN-UHFFFAOYSA-N -1 3 250.298 1.220 10 0 CDAEHM CCCc1cc(C(=O)NCc2ncccc2[O-])[nH]n1 ZINC000684350820 482768446 /nfs/dbraw/zinc/76/84/46/482768446.db2.gz UTZGELSLGNIGDU-UHFFFAOYSA-N -1 3 260.297 1.393 10 0 CDAEHM CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000232601458 482815398 /nfs/dbraw/zinc/81/53/98/482815398.db2.gz FQULFCLRZCXWKV-AGIUHOORSA-N -1 3 284.400 1.580 10 0 CDAEHM O=C(Nc1ncccc1[O-])c1cc(N2CCCCC2)ncn1 ZINC000238880910 482863018 /nfs/dbraw/zinc/86/30/18/482863018.db2.gz PFONVZLNPVUHKQ-UHFFFAOYSA-N -1 3 299.334 1.820 10 0 CDAEHM Cn1cc(CNC(=O)c2cc3c(cc2[O-])CCCC3)nn1 ZINC000680004541 483512405 /nfs/dbraw/zinc/51/24/05/483512405.db2.gz QKMZJOIEBZRYTE-UHFFFAOYSA-N -1 3 286.335 1.330 10 0 CDAEHM COc1cc(C(=O)N2CCC23CCOCC3)ccc1[O-] ZINC000683491418 483550865 /nfs/dbraw/zinc/55/08/65/483550865.db2.gz BIOXNPQDQGJURS-UHFFFAOYSA-N -1 3 277.320 1.796 10 0 CDAEHM Cc1nnc(CNC(=O)c2ccc3c(c2[O-])CCCC3)o1 ZINC000680426327 483617580 /nfs/dbraw/zinc/61/75/80/483617580.db2.gz GMVHXLBDFCOLAJ-UHFFFAOYSA-N -1 3 287.319 1.892 10 0 CDAEHM COc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)nc1 ZINC000672105735 483647597 /nfs/dbraw/zinc/64/75/97/483647597.db2.gz MCMKAMADBYFQKM-ZETCQYMHSA-N -1 3 289.213 1.467 10 0 CDAEHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccco1 ZINC000188717827 519688172 /nfs/dbraw/zinc/68/81/72/519688172.db2.gz ZBYNMJFWMURQFE-GFCCVEGCSA-N -1 3 275.370 1.745 10 0 CDAEHM CC(C)C[C@@H](C)NC(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000061145678 519772622 /nfs/dbraw/zinc/77/26/22/519772622.db2.gz VMDFSXBWSQAOLE-GFCCVEGCSA-N -1 3 285.388 1.223 10 0 CDAEHM CC(C)[C@@H](CN(C)C)NC(=O)NC1(C(=O)[O-])CCCC1 ZINC000049230579 519793304 /nfs/dbraw/zinc/79/33/04/519793304.db2.gz UFWPZVZRLZGLSH-LLVKDONJSA-N -1 3 285.388 1.269 10 0 CDAEHM CCN(C(=O)N[C@@H]1CCCN(CC)C1)C(C)(C)C(=O)[O-] ZINC000061175582 519979779 /nfs/dbraw/zinc/97/97/79/519979779.db2.gz MVAHHVMATPNUOT-LLVKDONJSA-N -1 3 285.388 1.365 10 0 CDAEHM CCN(CC(=O)Nc1ccc(F)cc1)[C@@H](C)CC(=O)[O-] ZINC000061183170 520360524 /nfs/dbraw/zinc/36/05/24/520360524.db2.gz ADDKISKIQNQMLR-JTQLQIEISA-N -1 3 282.315 1.949 10 0 CDAEHM CCN(CC(=O)Nc1ccccc1)[C@H](C)CC(=O)[O-] ZINC000061183154 520365017 /nfs/dbraw/zinc/36/50/17/520365017.db2.gz VNSDCJKEHMNBCW-LLVKDONJSA-N -1 3 264.325 1.810 10 0 CDAEHM CCN(CC(=O)Nc1ccccc1C)C[C@@H](C)C(=O)[O-] ZINC000061220415 520368913 /nfs/dbraw/zinc/36/89/13/520368913.db2.gz MDIYELPZPHWYAF-GFCCVEGCSA-N -1 3 278.352 1.976 10 0 CDAEHM CCCCS(=O)(=O)[N-][C@H]1CCN(c2ccccc2)C1=O ZINC000068942091 520939548 /nfs/dbraw/zinc/93/95/48/520939548.db2.gz GAYFXGPRZMCEJQ-ZDUSSCGKSA-N -1 3 296.392 1.511 10 0 CDAEHM CCN(C[C@@H](C)C(=O)[O-])[C@@H](C)C(=O)NCCC(C)C ZINC000061218660 521198379 /nfs/dbraw/zinc/19/83/79/521198379.db2.gz LIONNHKAIFALLK-NEPJUHHUSA-N -1 3 272.389 1.580 10 0 CDAEHM CCN1CCC[C@H](Nc2ccc(C(=O)[O-])cc2N)C1 ZINC000049232256 521649535 /nfs/dbraw/zinc/64/95/35/521649535.db2.gz VIDVBEDYLICJJM-NSHDSACASA-N -1 3 263.341 1.863 10 0 CDAEHM CN(C)CCN1CCN(c2ccc(C(=O)[O-])cc2)CC1 ZINC000061645111 521768295 /nfs/dbraw/zinc/76/82/95/521768295.db2.gz SXYPUYRPDKBSKJ-UHFFFAOYSA-N -1 3 277.368 1.068 10 0 CDAEHM CC[C@H](C)[C@@H](N)C(=O)N1CC[C@@](CC)(C(=O)[O-])C1 ZINC000062917245 521830068 /nfs/dbraw/zinc/83/00/68/521830068.db2.gz HUJPWBMTTWCYSV-OPQQBVKSSA-N -1 3 256.346 1.073 10 0 CDAEHM CC[C@H](C)[C@@H](N)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000050927677 521825735 /nfs/dbraw/zinc/82/57/35/521825735.db2.gz ZDMOKZFJEVERNU-GXFFZTMASA-N -1 3 270.373 1.463 10 0 CDAEHM CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000061643233 521832893 /nfs/dbraw/zinc/83/28/93/521832893.db2.gz BGOWFJSSPLXQSK-AVGNSLFASA-N -1 3 282.384 1.430 10 0 CDAEHM CNC(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000061316538 521940604 /nfs/dbraw/zinc/94/06/04/521940604.db2.gz YERSKCLKMCJLEO-UHFFFAOYSA-N -1 3 270.716 1.975 10 0 CDAEHM CC[C@@H](C)N1CCN(c2ccc(C(=O)[O-])o2)CC1 ZINC000055083251 522133834 /nfs/dbraw/zinc/13/38/34/522133834.db2.gz IFJGGVKMKWZTPS-SNVBAGLBSA-N -1 3 252.314 1.898 10 0 CDAEHM CC[C@@H](C)N1CCN(c2nnc(C)c(C)c2C(=O)[O-])CC1 ZINC000055085530 522136993 /nfs/dbraw/zinc/13/69/93/522136993.db2.gz LWSTUNFBFKQMDZ-SNVBAGLBSA-N -1 3 292.383 1.712 10 0 CDAEHM CC[C@@H]1CC[C@@H](C(=O)[O-])[C@H](N2CCOC[C@@H]2C)C1 ZINC000062752004 523347728 /nfs/dbraw/zinc/34/77/28/523347728.db2.gz AEBLXQUNTBDMOM-UMSGYPCISA-N -1 3 255.358 1.987 10 0 CDAEHM CCn1cc(CN2CCCC[C@H]2CC(=O)[O-])cn1 ZINC000050541179 523373010 /nfs/dbraw/zinc/37/30/10/523373010.db2.gz IYXLIBNETTZJKX-LBPRGKRZSA-N -1 3 251.330 1.732 10 0 CDAEHM COCCN(C)CCNc1ccc(C)cc1C(=O)[O-] ZINC000061399594 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CCc1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc(=O)[nH]1 ZINC000181615071 536136018 /nfs/dbraw/zinc/13/60/18/536136018.db2.gz KEYSKIVTMRXHRO-UHFFFAOYSA-N -1 3 299.290 1.568 10 0 CDAEHM CCc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc(=O)[nH]1 ZINC000181615071 536136022 /nfs/dbraw/zinc/13/60/22/536136022.db2.gz KEYSKIVTMRXHRO-UHFFFAOYSA-N -1 3 299.290 1.568 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CCN(C(C)=O)C[C@@H]2C)c1 ZINC000268839440 536816422 /nfs/dbraw/zinc/81/64/22/536816422.db2.gz XVSWEKJAWMPQRS-JTQLQIEISA-N -1 3 292.335 1.094 10 0 CDAEHM C[C@H]1C[C@H]1CNC(=O)c1nnc2ccccc2c1[O-] ZINC000732270039 575085060 /nfs/dbraw/zinc/08/50/60/575085060.db2.gz IXLOCVWXISMEGE-IUCAKERBSA-N -1 3 257.293 1.721 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(C)cc2)o1 ZINC000770414982 575447581 /nfs/dbraw/zinc/44/75/81/575447581.db2.gz DTHXUUVIOMMPGD-CYBMUJFWSA-N -1 3 295.360 1.908 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CCC[C@H](OC(C)=O)C2)c1 ZINC000765087329 575984825 /nfs/dbraw/zinc/98/48/25/575984825.db2.gz 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C[C@H](NC(=O)CCF)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000908185078 628057976 /nfs/dbraw/zinc/05/79/76/628057976.db2.gz DUOBNKPPCOODLF-IUCAKERBSA-N -1 3 283.303 1.226 10 0 CDAEHM CCS(=O)(=O)c1ccccc1CC(=O)[N-]OC(C)C ZINC000908570185 628277726 /nfs/dbraw/zinc/27/77/26/628277726.db2.gz MWZYFBHNTCCKSQ-UHFFFAOYSA-N -1 3 285.365 1.479 10 0 CDAEHM CCO[C@@H]1[C@H](C)[C@H]1C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000911808365 629540322 /nfs/dbraw/zinc/54/03/22/629540322.db2.gz DCPGDCWREFRZBY-YUSALJHKSA-N -1 3 293.367 1.513 10 0 CDAEHM O=C([C@H]1CCC=CO1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911851652 629589807 /nfs/dbraw/zinc/58/98/07/629589807.db2.gz DVKWPOLZRHYZNQ-GXSJLCMTSA-N -1 3 263.297 1.124 10 0 CDAEHM O=C([C@@H](O)C1CCCCC1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911851241 629589853 /nfs/dbraw/zinc/58/98/53/629589853.db2.gz BTPLKDUEDOBOAM-FZMZJTMJSA-N -1 3 293.367 1.372 10 0 CDAEHM O=C([C@@H](O)C1CCCCC1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911851242 629589993 /nfs/dbraw/zinc/58/99/93/629589993.db2.gz 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/nfs/dbraw/zinc/46/17/47/347461747.db2.gz BNZKIOCTUXLMOK-MNOVXSKESA-N -1 3 288.307 1.182 10 0 CDAEHM COc1nnc(NC(=O)[C@H]2COC[C@@H]2c2ccccc2)[n-]1 ZINC000613195035 347461748 /nfs/dbraw/zinc/46/17/48/347461748.db2.gz BNZKIOCTUXLMOK-MNOVXSKESA-N -1 3 288.307 1.182 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H]2COC[C@@H]2c2ccccc2)n1 ZINC000613195035 347461750 /nfs/dbraw/zinc/46/17/50/347461750.db2.gz BNZKIOCTUXLMOK-MNOVXSKESA-N -1 3 288.307 1.182 10 0 CDAEHM COc1nc(NC(=O)[C@@H](C)Cc2ccco2)n[n-]1 ZINC000613197257 347463671 /nfs/dbraw/zinc/46/36/71/347463671.db2.gz ZKWCMIMEAHPUCT-ZETCQYMHSA-N -1 3 250.258 1.224 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](C)Cc2ccco2)[n-]1 ZINC000613197257 347463674 /nfs/dbraw/zinc/46/36/74/347463674.db2.gz ZKWCMIMEAHPUCT-ZETCQYMHSA-N -1 3 250.258 1.224 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](C)Cc2ccco2)n1 ZINC000613197257 347463675 /nfs/dbraw/zinc/46/36/75/347463675.db2.gz ZKWCMIMEAHPUCT-ZETCQYMHSA-N -1 3 250.258 1.224 10 0 CDAEHM CCC1(O)CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 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CO[C@@H](C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616024488 349251917 /nfs/dbraw/zinc/25/19/17/349251917.db2.gz CQSHNEXYBXENMI-VIFPVBQESA-N -1 3 260.293 1.592 10 0 CDAEHM O=C(c1csc(=O)[n-]1)N1CCC(c2ccon2)CC1 ZINC000620226235 350099599 /nfs/dbraw/zinc/09/95/99/350099599.db2.gz YFBHMEIZYMSYRU-UHFFFAOYSA-N -1 3 279.321 1.857 10 0 CDAEHM Cc1ccc(C(=O)N2CCC3(COC3)C2)c([O-])c1C ZINC000620290031 350120754 /nfs/dbraw/zinc/12/07/54/350120754.db2.gz IDFATJYPOGELSR-UHFFFAOYSA-N -1 3 261.321 1.872 10 0 CDAEHM CC12CC(C1)CN2C(=O)CNC(=O)c1cccc([O-])c1 ZINC000621215758 350489117 /nfs/dbraw/zinc/48/91/17/350489117.db2.gz RNFLYCVKJRHIOT-UHFFFAOYSA-N -1 3 274.320 1.133 10 0 CDAEHM O=C(c1cc(F)c[n-]c1=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000621927756 350865066 /nfs/dbraw/zinc/86/50/66/350865066.db2.gz CGZOFLPBQHKANL-QWRGUYRKSA-N -1 3 294.326 1.815 10 0 CDAEHM CC1(c2cc(=NC(=O)c3ncc[nH]3)[n-]o2)CCCC1 ZINC000621977907 350908738 /nfs/dbraw/zinc/90/87/38/350908738.db2.gz CCIDDEFPWFMQJY-UHFFFAOYSA-N -1 3 260.297 1.904 10 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ACMHWFLPCDTJON-UHFFFAOYSA-N -1 3 290.323 1.838 10 0 CDAEHM COc1n[n-]c(NC(=O)CCOc2cccc(C)c2C)n1 ZINC000158178842 188361105 /nfs/dbraw/zinc/36/11/05/188361105.db2.gz ACMHWFLPCDTJON-UHFFFAOYSA-N -1 3 290.323 1.838 10 0 CDAEHM COc1nnc(NC(=O)c2cc(OC)ccc2OC)[n-]1 ZINC000158170116 188361324 /nfs/dbraw/zinc/36/13/24/188361324.db2.gz UJBXUKVWNNPHDZ-UHFFFAOYSA-N -1 3 278.268 1.083 10 0 CDAEHM COc1nc(NC(=O)c2cc(OC)ccc2OC)n[n-]1 ZINC000158170116 188361326 /nfs/dbraw/zinc/36/13/26/188361326.db2.gz UJBXUKVWNNPHDZ-UHFFFAOYSA-N -1 3 278.268 1.083 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cc(OC)ccc2OC)n1 ZINC000158170116 188361327 /nfs/dbraw/zinc/36/13/27/188361327.db2.gz UJBXUKVWNNPHDZ-UHFFFAOYSA-N -1 3 278.268 1.083 10 0 CDAEHM C[C@@H]1C[C@H]1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000265727959 363385508 /nfs/dbraw/zinc/38/55/08/363385508.db2.gz JNAPUFCATNHILK-SCZZXKLOSA-N -1 3 252.289 1.987 10 0 CDAEHM Cc1ccc(C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c([O-])c1C ZINC000629765688 363418527 /nfs/dbraw/zinc/41/85/27/363418527.db2.gz DDSWJGQKUJVDFY-IACUBPJLSA-N -1 3 275.348 1.994 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1[O-] ZINC000629769336 363425702 /nfs/dbraw/zinc/42/57/02/363425702.db2.gz XCIUIVDIUZRJQL-PSOPSSQASA-N -1 3 289.331 1.580 10 0 CDAEHM COCCCOCCN(C)C(=O)c1cccc([O-])c1 ZINC000273014328 192018575 /nfs/dbraw/zinc/01/85/75/192018575.db2.gz QNEOGCGNRVMFRK-UHFFFAOYSA-N -1 3 267.325 1.517 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000286331132 356258010 /nfs/dbraw/zinc/25/80/10/356258010.db2.gz OIQWCYTXUSYEHE-YUTCNCBUSA-N -1 3 291.347 1.394 10 0 CDAEHM COC(=O)CCc1nnc([N-]C(=O)c2ccoc2)s1 ZINC000134422883 356280575 /nfs/dbraw/zinc/28/05/75/356280575.db2.gz LRIDUYAKVSXTHW-UHFFFAOYSA-N -1 3 281.293 1.489 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000628048717 356431629 /nfs/dbraw/zinc/43/16/29/356431629.db2.gz PCSBHFPXBWOYGT-ZJUUUORDSA-N -1 3 272.308 1.728 10 0 CDAEHM CC[C@@H](COCC1CC1)NC(=O)c1cc(=O)[n-]cn1 ZINC000628045652 356425781 /nfs/dbraw/zinc/42/57/81/356425781.db2.gz JZOGCNLSXBYERN-JTQLQIEISA-N -1 3 265.313 1.117 10 0 CDAEHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000356371349 366276077 /nfs/dbraw/zinc/27/60/77/366276077.db2.gz XAUBKTDSAJBENS-JKUQZMGJSA-N -1 3 276.218 1.187 10 0 CDAEHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000356371349 366276080 /nfs/dbraw/zinc/27/60/80/366276080.db2.gz XAUBKTDSAJBENS-JKUQZMGJSA-N -1 3 276.218 1.187 10 0 CDAEHM CC[C@H](N=c1cc(-c2ccccc2)n2[n-]cnc2n1)[C@H](C)O ZINC000631292955 356542462 /nfs/dbraw/zinc/54/24/62/356542462.db2.gz QYABPGUFQMYVDY-AAEUAGOBSA-N -1 3 297.362 1.785 10 0 CDAEHM Cn1nccc1[C@H](N)C[C@H](CC(=O)[O-])C(F)(F)F ZINC000725256874 538452255 /nfs/dbraw/zinc/45/22/55/538452255.db2.gz CEUNQRLJRIURNP-RNFRBKRXSA-N -1 3 265.235 1.463 10 0 CDAEHM CCCn1c(S[C@@H](C)C(=O)N(CC)CC)n[n-]c1=O ZINC000023763216 356690021 /nfs/dbraw/zinc/69/00/21/356690021.db2.gz IEQRAJSVIPPSBJ-VIFPVBQESA-N -1 3 286.401 1.743 10 0 CDAEHM CN(C)c1nc(C(=O)N2CCCC2(C)C)cc(=O)[n-]1 ZINC000407991395 356873305 /nfs/dbraw/zinc/87/33/05/356873305.db2.gz ORSVUKJCJKZZFN-UHFFFAOYSA-N -1 3 264.329 1.263 10 0 CDAEHM CN(C)c1nc(C(=O)NC(C)(C)C2CC2)cc(=O)[n-]1 ZINC000562440470 290523062 /nfs/dbraw/zinc/52/30/62/290523062.db2.gz JRLMHKVRVNCCHB-UHFFFAOYSA-N -1 3 264.329 1.167 10 0 CDAEHM CCC[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccccc1 ZINC000042814328 357081397 /nfs/dbraw/zinc/08/13/97/357081397.db2.gz PSLKPVXWYVBSBD-NEPJUHHUSA-N -1 3 289.335 1.242 10 0 CDAEHM Nc1cc(I)cc(F)c1[O-] ZINC000575726133 357344746 /nfs/dbraw/zinc/34/47/46/357344746.db2.gz MXVWHIMWLJEWRR-UHFFFAOYSA-N -1 3 253.014 1.718 10 0 CDAEHM O=c1[n-]c2c(Cl)ccc(Br)c2c(=O)o1 ZINC000062821948 357468258 /nfs/dbraw/zinc/46/82/58/357468258.db2.gz LQFRCFLIPPERME-UHFFFAOYSA-N -1 3 276.473 1.897 10 0 CDAEHM COc1ccsc1S(=O)(=O)[N-]C[C@H]1C[C@@H](OC)C1 ZINC000625665994 357988525 /nfs/dbraw/zinc/98/85/25/357988525.db2.gz GDSMXWURKGAGSK-DTORHVGOSA-N -1 3 291.394 1.460 10 0 CDAEHM 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ZINC000182993577 278086028 /nfs/dbraw/zinc/08/60/28/278086028.db2.gz RAFHVKYQLDXVIK-UHFFFAOYSA-N -1 3 283.291 1.922 10 0 CDAEHM COc1nc(NC(=O)c2cccc3ccc(C)nc32)n[n-]1 ZINC000182993577 278086029 /nfs/dbraw/zinc/08/60/29/278086029.db2.gz RAFHVKYQLDXVIK-UHFFFAOYSA-N -1 3 283.291 1.922 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cccc3ccc(C)nc32)n1 ZINC000182993577 278086031 /nfs/dbraw/zinc/08/60/31/278086031.db2.gz RAFHVKYQLDXVIK-UHFFFAOYSA-N -1 3 283.291 1.922 10 0 CDAEHM COc1nnc(NC(=O)c2ccn(-c3ccccc3)n2)[n-]1 ZINC000158191841 278086182 /nfs/dbraw/zinc/08/61/82/278086182.db2.gz XOBHRLKXARPJMM-UHFFFAOYSA-N -1 3 284.279 1.251 10 0 CDAEHM COc1nc(NC(=O)c2ccn(-c3ccccc3)n2)n[n-]1 ZINC000158191841 278086184 /nfs/dbraw/zinc/08/61/84/278086184.db2.gz XOBHRLKXARPJMM-UHFFFAOYSA-N -1 3 284.279 1.251 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccn(-c3ccccc3)n2)n1 ZINC000158191841 278086185 /nfs/dbraw/zinc/08/61/85/278086185.db2.gz XOBHRLKXARPJMM-UHFFFAOYSA-N -1 3 284.279 1.251 10 0 CDAEHM CC(C)C[C@H](CNC(=O)NC[C@H]1CCCN1C)C(=O)[O-] ZINC000225876968 279154512 /nfs/dbraw/zinc/15/45/12/279154512.db2.gz USYSFIIKISQRDL-VXGBXAGGSA-N -1 3 285.388 1.127 10 0 CDAEHM Cc1ccn2c(c1)nnc2[N-]C(=O)c1cnns1 ZINC000122004815 279412119 /nfs/dbraw/zinc/41/21/19/279412119.db2.gz NAWOUORGWASQJM-UHFFFAOYSA-N -1 3 260.282 1.142 10 0 CDAEHM CO[C@@H]1CN([C@@H](C)c2nc(C)cc(=O)[n-]2)CC[C@H]1C ZINC000248787380 280382668 /nfs/dbraw/zinc/38/26/68/280382668.db2.gz WSUKIQXPMSFZBA-ADEWGFFLSA-N -1 3 265.357 1.908 10 0 CDAEHM C[C@H](C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cccnc1 ZINC000527499473 281145227 /nfs/dbraw/zinc/14/52/27/281145227.db2.gz FZWSSQJMAOTXES-GXFFZTMASA-N -1 3 286.335 1.820 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1CC[C@H]2C[C@H]2C1)c1ccco1 ZINC000528447543 281232940 /nfs/dbraw/zinc/23/29/40/281232940.db2.gz HFWUFLRRFOTOQJ-OUAUKWLOSA-N -1 3 255.339 1.994 10 0 CDAEHM CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1cncc(F)c1 ZINC000528496932 281245491 /nfs/dbraw/zinc/24/54/91/281245491.db2.gz PYGXJMHQSXNIIQ-PELKAZGASA-N -1 3 286.328 1.067 10 0 CDAEHM Cc1nc(C)c(CC(=O)N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c(=O)[n-]1 ZINC000529978698 281406998 /nfs/dbraw/zinc/40/69/98/281406998.db2.gz FJSIHZUDLVBORX-QPJVAMMUSA-N -1 3 293.367 1.270 10 0 CDAEHM CN(C)C(=O)c1cc([O-])ccc1I ZINC000095711476 282001854 /nfs/dbraw/zinc/00/18/54/282001854.db2.gz KRQSGZCDKJNHDZ-UHFFFAOYSA-N -1 3 291.088 1.699 10 0 CDAEHM COc1cc(=NC(=O)Cc2ccsc2)[n-]n1C ZINC000547494176 289780632 /nfs/dbraw/zinc/78/06/32/289780632.db2.gz DHBKJPZJSXPRET-UHFFFAOYSA-N -1 3 251.311 1.093 10 0 CDAEHM COc1cc(=NC(=O)CCOCc2ccccc2)[n-]n1C ZINC000548142992 289849300 /nfs/dbraw/zinc/84/93/00/289849300.db2.gz JOFLYXGRLXRNHU-UHFFFAOYSA-N -1 3 289.335 1.396 10 0 CDAEHM COc1cc(=NC(=O)N(CCO)C2CCCCC2)[n-]n1C ZINC000548167771 289853063 /nfs/dbraw/zinc/85/30/63/289853063.db2.gz QKKOWVANKSBELX-UHFFFAOYSA-N -1 3 296.371 1.010 10 0 CDAEHM COc1cc(=NC(=O)NCC[C@@H]2CCO[C@@H](C)C2)[n-]n1C ZINC000548493969 289895043 /nfs/dbraw/zinc/89/50/43/289895043.db2.gz AUVHYEADSRLGMX-WDEREUQCSA-N -1 3 296.371 1.177 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2C(=O)Cc2ccsc2)nc1=N ZINC000549721680 289974086 /nfs/dbraw/zinc/97/40/86/289974086.db2.gz VLUJJCRBMAPCQU-SNVBAGLBSA-N -1 3 291.380 1.195 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2cc(Cl)c[nH]2)nc1=N ZINC000549727868 289974763 /nfs/dbraw/zinc/97/47/63/289974763.db2.gz ZSHFEGCCCKUSHS-VIFPVBQESA-N -1 3 294.746 1.186 10 0 CDAEHM C[C@@H](C(=O)N=c1cc2ccccn2[n-]1)C1CCOCC1 ZINC000552986366 290088928 /nfs/dbraw/zinc/08/89/28/290088928.db2.gz ZNJKTSNIXZSUMC-LLVKDONJSA-N -1 3 273.336 1.757 10 0 CDAEHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCOC[C@H]1C1CC1 ZINC000553544420 290125711 /nfs/dbraw/zinc/12/57/11/290125711.db2.gz JYRBWWRRFSXOTG-LBPRGKRZSA-N -1 3 289.335 1.311 10 0 CDAEHM COc1cc(=NC(=O)NC[C@@H]2CCCC2(C)C)[n-]n1C ZINC000556613967 290274925 /nfs/dbraw/zinc/27/49/25/290274925.db2.gz YCUIULXGRXPELV-JTQLQIEISA-N -1 3 280.372 1.798 10 0 CDAEHM CC(C)N(C(=O)C[C@@H]1NC(=O)[N-]C1=O)C1CC(C)(C)C1 ZINC000556705143 290285158 /nfs/dbraw/zinc/28/51/58/290285158.db2.gz YXKYSMZYNAQLBX-JTQLQIEISA-N -1 3 281.356 1.010 10 0 CDAEHM C[C@@H]1CCN(CC(=O)Nc2cc(F)ccc2[O-])C1 ZINC000557636626 290359314 /nfs/dbraw/zinc/35/93/14/290359314.db2.gz XPQLKUHUXCHOPQ-SECBINFHSA-N -1 3 252.289 1.812 10 0 CDAEHM C[C@@H](C(=O)N=c1cc2ccccn2[n-]1)c1cncnc1 ZINC000561153836 293056229 /nfs/dbraw/zinc/05/62/29/293056229.db2.gz NPOBXAILXBYLJN-SNVBAGLBSA-N -1 3 267.292 1.288 10 0 CDAEHM O=C(c1cccc2[n-]nnc21)N1CCOC[C@@H]1CC(F)F ZINC000561398956 293083152 /nfs/dbraw/zinc/08/31/52/293083152.db2.gz JHNFWOWOUSSXME-QMMMGPOBSA-N -1 3 296.277 1.454 10 0 CDAEHM O=C(c1cccc2nn[n-]c21)N1CCOC[C@@H]1CC(F)F ZINC000561398956 293083156 /nfs/dbraw/zinc/08/31/56/293083156.db2.gz JHNFWOWOUSSXME-QMMMGPOBSA-N -1 3 296.277 1.454 10 0 CDAEHM O=C(c1cccc2n[n-]nc21)N1CCOC[C@@H]1CC(F)F ZINC000561398956 293083159 /nfs/dbraw/zinc/08/31/59/293083159.db2.gz JHNFWOWOUSSXME-QMMMGPOBSA-N -1 3 296.277 1.454 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C2(C3CC3)CC2)c1 ZINC000564748301 293407678 /nfs/dbraw/zinc/40/76/78/293407678.db2.gz ZKLWQWNOILRNHH-UHFFFAOYSA-N -1 3 255.343 1.124 10 0 CDAEHM O=C([O-])c1cnccc1N1CCN(CC(F)F)CC1 ZINC000568517464 294052027 /nfs/dbraw/zinc/05/20/27/294052027.db2.gz NBAKLGATQXFBKJ-UHFFFAOYSA-N -1 3 271.267 1.167 10 0 CDAEHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cscn1 ZINC000571078111 294366049 /nfs/dbraw/zinc/36/60/49/294366049.db2.gz GHVPTMKTSSSOIO-RKDXNWHRSA-N -1 3 276.383 1.379 10 0 CDAEHM CC[C@H]1C[C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)CCO1 ZINC000571461169 294441588 /nfs/dbraw/zinc/44/15/88/294441588.db2.gz PAYZCBUMILMUHA-QWRGUYRKSA-N -1 3 291.351 1.747 10 0 CDAEHM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cscn2)CCO1 ZINC000572598332 294654358 /nfs/dbraw/zinc/65/43/58/294654358.db2.gz CMWOZHBKNWEOLT-IUCAKERBSA-N -1 3 276.383 1.237 10 0 CDAEHM CC1(C)CCC[C@@H](Sc2n[n-]c(CO)n2)C1=O ZINC000566901814 316699820 /nfs/dbraw/zinc/69/98/20/316699820.db2.gz VBMCLMIPYYPJFU-SSDOTTSWSA-N -1 3 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ZINC000228784483 835464435 /nfs/dbraw/zinc/46/44/35/835464435.db2.gz KLNDBMOPUQVPCY-SNVBAGLBSA-N -1 3 258.281 1.482 10 0 CDAEHM CCOc1nc(NC(=O)[C@@H]2Cc3ccccc32)n[n-]1 ZINC000228784483 835464441 /nfs/dbraw/zinc/46/44/41/835464441.db2.gz KLNDBMOPUQVPCY-SNVBAGLBSA-N -1 3 258.281 1.482 10 0 CDAEHM CCOc1n[n-]c(NC(=O)[C@@H]2Cc3ccccc32)n1 ZINC000228784483 835464445 /nfs/dbraw/zinc/46/44/45/835464445.db2.gz KLNDBMOPUQVPCY-SNVBAGLBSA-N -1 3 258.281 1.482 10 0 CDAEHM Cc1cnn(CCOC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000792294428 835508554 /nfs/dbraw/zinc/50/85/54/835508554.db2.gz NCYJXFDDWKPWGS-UHFFFAOYSA-N -1 3 289.270 1.459 10 0 CDAEHM Cc1cnn(CCOC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000792294428 835508559 /nfs/dbraw/zinc/50/85/59/835508559.db2.gz NCYJXFDDWKPWGS-UHFFFAOYSA-N -1 3 289.270 1.459 10 0 CDAEHM Cc1cnn(CCOC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000792294428 835508565 /nfs/dbraw/zinc/50/85/65/835508565.db2.gz NCYJXFDDWKPWGS-UHFFFAOYSA-N -1 3 289.270 1.459 10 0 CDAEHM CCc1onc(C)c1C[N-]S(=O)(=O)Cc1cc(C)on1 ZINC000922030832 835716307 /nfs/dbraw/zinc/71/63/07/835716307.db2.gz FJXAJPJZRUVPMD-UHFFFAOYSA-N -1 3 299.352 1.461 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)OCCC1(O)CC1 ZINC000838146961 835743960 /nfs/dbraw/zinc/74/39/60/835743960.db2.gz XKUCSCQEHJUPJW-UHFFFAOYSA-N -1 3 254.257 1.532 10 0 CDAEHM Cc1nc[n-]c(=O)c1CCC(=O)N1CC(C)(CC(F)F)C1 ZINC001647249498 1168491076 /nfs/dbraw/zinc/49/10/76/1168491076.db2.gz YHWHVAHQAJABRQ-UHFFFAOYSA-N -1 3 299.321 1.927 10 0 CDAEHM CCOc1nnc(NC(=O)C=Cc2cncc(C)c2)[n-]1 ZINC001174744957 913330386 /nfs/dbraw/zinc/33/03/86/913330386.db2.gz JMJAZQBITPDABA-SNAWJCMRSA-N -1 3 273.296 1.559 10 0 CDAEHM CCOc1nc(NC(=O)C=Cc2cncc(C)c2)n[n-]1 ZINC001174744957 913330396 /nfs/dbraw/zinc/33/03/96/913330396.db2.gz JMJAZQBITPDABA-SNAWJCMRSA-N -1 3 273.296 1.559 10 0 CDAEHM CCOc1n[n-]c(NC(=O)C=Cc2cncc(C)c2)n1 ZINC001174744957 913330410 /nfs/dbraw/zinc/33/04/10/913330410.db2.gz JMJAZQBITPDABA-SNAWJCMRSA-N -1 3 273.296 1.559 10 0 CDAEHM C[C@@H](NC(=O)c1cnncc1[O-])c1cccc(O)c1 ZINC001567540138 1168838256 /nfs/dbraw/zinc/83/82/56/1168838256.db2.gz PLCDDPSUWVCDSE-MRVPVSSYSA-N -1 3 259.265 1.379 10 0 CDAEHM Cc1conc1CNCCN(C)C(=O)c1ccccc1[O-] ZINC001267347833 897668152 /nfs/dbraw/zinc/66/81/52/897668152.db2.gz MAMQTSCLGDNXHJ-UHFFFAOYSA-N -1 3 289.335 1.550 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](CCO)C2CCCC2)nn1 ZINC000725034041 897682453 /nfs/dbraw/zinc/68/24/53/897682453.db2.gz YCZTZHGXOOURHL-LBPRGKRZSA-N -1 3 299.396 1.005 10 0 CDAEHM CCC(=O)NC/C=C\CNC(=O)c1ccccc1[O-] ZINC001298205469 936643560 /nfs/dbraw/zinc/64/35/60/936643560.db2.gz TUODLRSVUHQKLZ-WAYWQWQTSA-N -1 3 262.309 1.204 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](C)C1CCC1 ZINC001464883650 936665668 /nfs/dbraw/zinc/66/56/68/936665668.db2.gz ABQNJXASAWSODY-KWQFWETISA-N -1 3 251.330 1.051 10 0 CDAEHM CCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001487278358 923780226 /nfs/dbraw/zinc/78/02/26/923780226.db2.gz PJMLNZIUSAZJSQ-XYYAHUGASA-N -1 3 288.347 1.236 10 0 CDAEHM C[C@@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1csnn1 ZINC001411442687 931795679 /nfs/dbraw/zinc/79/56/79/931795679.db2.gz DAHULMKEZFCZIU-SSDOTTSWSA-N -1 3 291.323 1.777 10 0 CDAEHM O=C(NCC1(Cc2ccccc2)CC1)c1cnncc1[O-] ZINC001411957417 932178396 /nfs/dbraw/zinc/17/83/96/932178396.db2.gz RRGJCZZVUCPWQU-UHFFFAOYSA-N -1 3 283.331 1.935 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CC[C@H](c2ncccn2)C1 ZINC001412701619 932649195 /nfs/dbraw/zinc/64/91/95/932649195.db2.gz SEOBQOSAUPUDCT-JTQLQIEISA-N -1 3 285.303 1.518 10 0 CDAEHM CCC1([N-]S(=O)(=O)c2ccc(C)nn2)CCOCC1 ZINC000867027613 932847012 /nfs/dbraw/zinc/84/70/12/932847012.db2.gz PCSCYVQNYLXFLI-UHFFFAOYSA-N -1 3 285.369 1.023 10 0 CDAEHM O=C([O-])c1cc(CNC[C@@H]2C[C@@H]3CCC[C@H]3O2)[nH]n1 ZINC001119606772 937738058 /nfs/dbraw/zinc/73/80/58/937738058.db2.gz LCFABYJEXZKDCB-PTOFAABTSA-N -1 3 265.313 1.155 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)CCOC)c1 ZINC001123505927 936172886 /nfs/dbraw/zinc/17/28/86/936172886.db2.gz SSZLSKJFZOJDLD-UHFFFAOYSA-N -1 3 278.308 1.235 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CC(C(F)F)C2)c1 ZINC001123665269 936197141 /nfs/dbraw/zinc/19/71/41/936197141.db2.gz WTVXVVODGLSCMT-UHFFFAOYSA-N -1 3 296.273 1.854 10 0 CDAEHM CCn1ccnc1CN1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722672486 945273122 /nfs/dbraw/zinc/27/31/22/945273122.db2.gz IWUJKINXHHVLHE-GHMZBOCLSA-N -1 3 251.330 1.446 10 0 CDAEHM CN(Cc1n[n-]c(=O)o1)CC1(O)CCCCCC1 ZINC001473573463 970820130 /nfs/dbraw/zinc/82/01/30/970820130.db2.gz GMGKSPMXZQOXDA-UHFFFAOYSA-N -1 3 255.318 1.292 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1coc(C(F)F)c1 ZINC001362055177 970823906 /nfs/dbraw/zinc/82/39/06/970823906.db2.gz AXKFIRZMPWKTFR-MRVPVSSYSA-N -1 3 285.250 1.459 10 0 CDAEHM CC(C)(C)CCN1CCN(C(=O)c2ccc([O-])cn2)CC1 ZINC001362074409 970850181 /nfs/dbraw/zinc/85/01/81/970850181.db2.gz CLAHPTUJHAYTNK-UHFFFAOYSA-N -1 3 291.395 1.981 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCC(c3cncn3C)CC2)n1 ZINC001473895078 970885689 /nfs/dbraw/zinc/88/56/89/970885689.db2.gz ZLAKQWAICYEMLC-UHFFFAOYSA-N -1 3 287.367 1.604 10 0 CDAEHM Cc1ccc(C(=O)N[C@@H]2CCC3(C2)OCCO3)c([O-])c1 ZINC001362386024 971213996 /nfs/dbraw/zinc/21/39/96/971213996.db2.gz NQJAYEYSYGIHHP-LLVKDONJSA-N -1 3 277.320 1.726 10 0 CDAEHM CCn1ccnc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001362540957 971385366 /nfs/dbraw/zinc/38/53/66/971385366.db2.gz LTPCYIQPBNFAOY-UHFFFAOYSA-N -1 3 275.264 1.590 10 0 CDAEHM Cc1oc(C(=O)Nc2ncccc2[O-])cc1S(C)(=O)=O ZINC001362647333 971489855 /nfs/dbraw/zinc/48/98/55/971489855.db2.gz DPBKGRVJKMLINQ-UHFFFAOYSA-N -1 3 296.304 1.344 10 0 CDAEHM O=C(c1ccc(F)c([O-])c1)N1CCC(c2nc[nH]n2)CC1 ZINC001362680701 971524323 /nfs/dbraw/zinc/52/43/23/971524323.db2.gz IXHOAAPCCLSITO-UHFFFAOYSA-N -1 3 290.298 1.669 10 0 CDAEHM O=C(NCc1cc(=O)c([O-])co1)c1nccc(Cl)c1F ZINC001363032088 971827836 /nfs/dbraw/zinc/82/78/36/971827836.db2.gz ZCEIJJDCWHFZPX-UHFFFAOYSA-N -1 3 298.657 1.463 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CC(c2ccccn2)C1 ZINC001363500471 953386055 /nfs/dbraw/zinc/38/60/55/953386055.db2.gz JUFYSMNGIHDFFB-UHFFFAOYSA-N -1 3 270.288 1.732 10 0 CDAEHM COc1ccc([S@@](C)(=O)=NC(=O)c2nc[n-]n2)cc1 ZINC001363618706 953555916 /nfs/dbraw/zinc/55/59/16/953555916.db2.gz CESHZHNYHSRBLE-LJQANCHMSA-N -1 3 280.309 1.110 10 0 CDAEHM CC[S@](C)(=O)=NC(=O)c1cc(F)cc2[n-]nnc21 ZINC001363619957 953558038 /nfs/dbraw/zinc/55/80/38/953558038.db2.gz DDGHOBNZJVUOSJ-SFHVURJKSA-N -1 3 270.289 1.355 10 0 CDAEHM CC[S@](C)(=O)=NC(=O)c1cc(F)cc2nn[n-]c21 ZINC001363619957 953558046 /nfs/dbraw/zinc/55/80/46/953558046.db2.gz DDGHOBNZJVUOSJ-SFHVURJKSA-N -1 3 270.289 1.355 10 0 CDAEHM CC[S@](C)(=O)=NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001363619957 953558051 /nfs/dbraw/zinc/55/80/51/953558051.db2.gz DDGHOBNZJVUOSJ-SFHVURJKSA-N -1 3 270.289 1.355 10 0 CDAEHM CC[C@@](C)(OC)C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001363650370 953606251 /nfs/dbraw/zinc/60/62/51/953606251.db2.gz IWRZQKPWORBOLL-QUBYGPBYSA-N -1 3 294.277 1.816 10 0 CDAEHM O=C(NN1C[C@H]2CCC[C@@H]2C1)c1cccc2n[n-]nc21 ZINC001363708123 953679488 /nfs/dbraw/zinc/67/94/88/953679488.db2.gz WIALOXUWZSUYTG-NXEZZACHSA-N -1 3 271.324 1.335 10 0 CDAEHM Cc1cc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)no1 ZINC001363967742 954086961 /nfs/dbraw/zinc/08/69/61/954086961.db2.gz HAPMREDXDPADAE-UHFFFAOYSA-N -1 3 274.280 1.286 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1ccncc1C ZINC001292969821 954277749 /nfs/dbraw/zinc/27/77/49/954277749.db2.gz ONLRYGJDQKEAOA-OOPCZODUSA-N -1 3 286.335 1.031 10 0 CDAEHM C[C@@H](NC(=O)c1ccc[nH]1)c1nc(C(F)(F)F)n[n-]1 ZINC001364314723 954453567 /nfs/dbraw/zinc/45/35/67/954453567.db2.gz ZBCOOIYRLWUNIU-RXMQYKEDSA-N -1 3 273.218 1.643 10 0 CDAEHM CC(C)C[C@@H]1C[C@H]1C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001363279444 972048143 /nfs/dbraw/zinc/04/81/43/972048143.db2.gz STSLWMSCDVUOMW-CHWSQXEVSA-N -1 3 291.399 1.663 10 0 CDAEHM CC(C)C[C@@H]1C[C@H]1C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001363279444 972048150 /nfs/dbraw/zinc/04/81/50/972048150.db2.gz STSLWMSCDVUOMW-CHWSQXEVSA-N -1 3 291.399 1.663 10 0 CDAEHM Cc1ccnc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC001364779467 955165656 /nfs/dbraw/zinc/16/56/56/955165656.db2.gz BNILQDFVKAXMSV-UHFFFAOYSA-N -1 3 285.307 1.088 10 0 CDAEHM O=C(Cc1[nH]nc2ccccc21)[N-]OCc1ccccn1 ZINC001299115530 955280119 /nfs/dbraw/zinc/28/01/19/955280119.db2.gz JHCUUEZGLCOTNC-UHFFFAOYSA-N -1 3 282.303 1.748 10 0 CDAEHM O=c1[n-]c(CN2CCO[C@@H]3CCC[C@@H]32)nc2c1COCC2 ZINC001365318400 955884904 /nfs/dbraw/zinc/88/49/04/955884904.db2.gz XZDRXLHALRDSCJ-QWHCGFSZSA-N -1 3 291.351 1.008 10 0 CDAEHM C[C@H](CNC(=O)c1ccccc1[O-])CNC(=O)C(F)F ZINC001430947059 959547790 /nfs/dbraw/zinc/54/77/90/959547790.db2.gz UNTNLBDEFLOLHX-MRVPVSSYSA-N -1 3 286.278 1.139 10 0 CDAEHM CCC[C@H](CC)C(=O)N[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001415014781 972510277 /nfs/dbraw/zinc/51/02/77/972510277.db2.gz RPOWEMJLXQFRKL-GARJFASQSA-N -1 3 293.371 1.008 10 0 CDAEHM Clc1cc(CN2CC[C@H](c3nnn[n-]3)C2)cc(Cl)n1 ZINC001560101919 960856101 /nfs/dbraw/zinc/85/61/01/960856101.db2.gz YTUKCXXYYQGRAQ-QMMMGPOBSA-N -1 3 299.165 1.891 10 0 CDAEHM Clc1cc(CN2CC[C@H](c3nn[n-]n3)C2)cc(Cl)n1 ZINC001560101919 960856118 /nfs/dbraw/zinc/85/61/18/960856118.db2.gz YTUKCXXYYQGRAQ-QMMMGPOBSA-N -1 3 299.165 1.891 10 0 CDAEHM Cn1cccc([N-]C(=O)c2c(F)ccnc2F)c1=O ZINC001435077363 962031423 /nfs/dbraw/zinc/03/14/23/962031423.db2.gz SVSXSKBMCGEKKV-UHFFFAOYSA-N -1 3 265.219 1.311 10 0 CDAEHM CC/C(C)=C\C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1cn[n-]n1 ZINC001339833607 962567047 /nfs/dbraw/zinc/56/70/47/962567047.db2.gz ZQYSHEKMKSMXGJ-GOLMWGNGSA-N -1 3 293.371 1.174 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1nc(Cl)ccc1F ZINC001443448472 965469222 /nfs/dbraw/zinc/46/92/22/965469222.db2.gz HQSOPWIOJPUZCC-ZETCQYMHSA-N -1 3 298.705 1.116 10 0 CDAEHM CN1Cc2ccccc2[C@@H](NC(=O)c2ccc([O-])cn2)C1 ZINC001447336342 966760138 /nfs/dbraw/zinc/76/01/38/966760138.db2.gz SRZBYWMQQIUAGR-HNNXBMFYSA-N -1 3 283.331 1.704 10 0 CDAEHM O=Cc1cncc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001544665473 967376491 /nfs/dbraw/zinc/37/64/91/967376491.db2.gz KDJKIGZXYKAOQU-UHFFFAOYSA-N -1 3 294.274 1.327 10 0 CDAEHM O=Cc1cncc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001544665473 967376499 /nfs/dbraw/zinc/37/64/99/967376499.db2.gz KDJKIGZXYKAOQU-UHFFFAOYSA-N -1 3 294.274 1.327 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1ccc(Cl)nc1 ZINC001300193621 967684478 /nfs/dbraw/zinc/68/44/78/967684478.db2.gz BEARMGVJXOQYLT-UHFFFAOYSA-N -1 3 296.739 1.449 10 0 CDAEHM COc1cnc(F)c([N-]C(=O)c2csnn2)c1 ZINC001454360065 968473872 /nfs/dbraw/zinc/47/38/72/968473872.db2.gz IXPJLIJGOOLSEW-UHFFFAOYSA-N -1 3 254.246 1.333 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCCCF)c1 ZINC001528434495 968849847 /nfs/dbraw/zinc/84/98/47/968849847.db2.gz RWUNZDVUNSGGON-UHFFFAOYSA-N -1 3 280.299 1.996 10 0 CDAEHM O=C(c1ccc(Cl)c([O-])c1)N1CC(N[C@H]2CCOC2)C1 ZINC001456300822 968929143 /nfs/dbraw/zinc/92/91/43/968929143.db2.gz IGPUWDGGFCWGHR-JTQLQIEISA-N -1 3 296.754 1.249 10 0 CDAEHM Nc1ccc(F)cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001464610984 969799697 /nfs/dbraw/zinc/79/96/97/969799697.db2.gz LCSWCGSMCAYKMF-UHFFFAOYSA-N -1 3 298.281 1.840 10 0 CDAEHM Nc1ccc(F)cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001464610984 969799700 /nfs/dbraw/zinc/79/97/00/969799700.db2.gz LCSWCGSMCAYKMF-UHFFFAOYSA-N -1 3 298.281 1.840 10 0 CDAEHM CSc1nc(NC(=O)C(C)=Cc2ccccn2)n[n-]1 ZINC001464604517 969799743 /nfs/dbraw/zinc/79/97/43/969799743.db2.gz OAWYYQFFAKLAMG-FPLPWBNLSA-N -1 3 275.337 1.964 10 0 CDAEHM Clc1cnc(CN2CCC(Cc3nnn[n-]3)CC2)s1 ZINC001414039419 969886059 /nfs/dbraw/zinc/88/60/59/969886059.db2.gz QJUKFLGICDHHGC-UHFFFAOYSA-N -1 3 298.803 1.764 10 0 CDAEHM Clc1cnc(CN2CCC(Cc3nn[n-]n3)CC2)s1 ZINC001414039419 969886067 /nfs/dbraw/zinc/88/60/67/969886067.db2.gz QJUKFLGICDHHGC-UHFFFAOYSA-N -1 3 298.803 1.764 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001465650211 969887091 /nfs/dbraw/zinc/88/70/91/969887091.db2.gz FARKQPMMSUJEOR-SECBINFHSA-N -1 3 295.339 1.730 10 0 CDAEHM O=C(Nc1cccc([O-])c1F)c1ccc(CO)nc1 ZINC001466118040 969925672 /nfs/dbraw/zinc/92/56/72/969925672.db2.gz DGGCXPMVPUNEDA-UHFFFAOYSA-N -1 3 262.240 1.671 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)c2cc3n(n2)CCC[C@H]3O)n1 ZINC001467595427 970078472 /nfs/dbraw/zinc/07/84/72/970078472.db2.gz VKUZWOCVOJNZSJ-LLVKDONJSA-N -1 3 288.307 1.372 10 0 CDAEHM Cc1cc(C)c(C(=O)NCCc2c(C)[n-][nH]c2=O)s1 ZINC001361926454 970683764 /nfs/dbraw/zinc/68/37/64/970683764.db2.gz RARFRCVCQJCTKD-JTQLQIEISA-N -1 3 279.365 1.607 10 0 CDAEHM CCC[C@@H](CC)C(=O)NCC[C@@H](C)NC(=O)c1cn[n-]n1 ZINC001495668750 972586897 /nfs/dbraw/zinc/58/68/97/972586897.db2.gz DEDDORHACDECQK-GHMZBOCLSA-N -1 3 295.387 1.256 10 0 CDAEHM COC1CCC(CC(=O)NCCc2c(C)[n-][nH]c2=O)CC1 ZINC001417636358 973221380 /nfs/dbraw/zinc/22/13/80/973221380.db2.gz XLXOHZDUSGBVPJ-WXRRBKDZSA-N -1 3 295.383 1.210 10 0 CDAEHM CN(CCN(C)C(=O)C(F)F)C(=O)c1ccccc1[O-] ZINC001376118962 974567902 /nfs/dbraw/zinc/56/79/02/974567902.db2.gz FLQDXRLTCAMSHI-UHFFFAOYSA-N -1 3 286.278 1.188 10 0 CDAEHM CCCC(=O)NCc1nc(CNC[C@@H](F)CC)cc(=O)[n-]1 ZINC001397166770 975484186 /nfs/dbraw/zinc/48/41/86/975484186.db2.gz GOVYGHUSBUKLKR-JTQLQIEISA-N -1 3 298.362 1.436 10 0 CDAEHM O=C(CCC(F)(F)F)NCC1([N-]C(=O)C(F)F)CC1 ZINC001400549413 977088856 /nfs/dbraw/zinc/08/88/56/977088856.db2.gz GJGGUSXNJFELOC-UHFFFAOYSA-N -1 3 288.216 1.359 10 0 CDAEHM CCC(C)(C)C(=O)N[C@@H](C)CCCNCc1n[nH]c(=O)[n-]1 ZINC001571305094 1170362421 /nfs/dbraw/zinc/36/24/21/1170362421.db2.gz UVMVCNABNBUNAK-JTQLQIEISA-N -1 3 297.403 1.321 10 0 CDAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000616825264 342528945 /nfs/dbraw/zinc/52/89/45/342528945.db2.gz VSOKXPZZLZXWDG-XNDJQWLSSA-N -1 3 261.325 1.668 10 0 CDAEHM COC(=O)[C@@H](C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000590438509 342545852 /nfs/dbraw/zinc/54/58/52/342545852.db2.gz ISBTUSKDBIYRDT-ZCFIWIBFSA-N -1 3 291.225 1.702 10 0 CDAEHM CC(C)(C)c1ccc(NC(=O)[C@@H](N)CC(=O)[O-])cc1 ZINC000082572128 178110112 /nfs/dbraw/zinc/11/01/12/178110112.db2.gz WNEZLZNNRMDCMW-NSHDSACASA-N -1 3 264.325 1.725 10 0 CDAEHM C[C@]1(CNC(=O)c2cc(F)cc3nn[n-]c32)CC1(F)F ZINC000618596005 342003872 /nfs/dbraw/zinc/00/38/72/342003872.db2.gz SCWGEVYAJWEWBM-LLVKDONJSA-N -1 3 284.241 1.872 10 0 CDAEHM C[C@]1(CNC(=O)c2cc(F)cc3[n-]nnc32)CC1(F)F ZINC000618596005 342003873 /nfs/dbraw/zinc/00/38/73/342003873.db2.gz SCWGEVYAJWEWBM-LLVKDONJSA-N -1 3 284.241 1.872 10 0 CDAEHM C[C@]1(CNC(=O)c2cc(F)cc3n[n-]nc32)CC1(F)F ZINC000618596005 342003874 /nfs/dbraw/zinc/00/38/74/342003874.db2.gz SCWGEVYAJWEWBM-LLVKDONJSA-N -1 3 284.241 1.872 10 0 CDAEHM CC(C)(C)OC(=O)[C@H](N)c1cccc(-c2nnn[n-]2)c1 ZINC000096028413 185067292 /nfs/dbraw/zinc/06/72/92/185067292.db2.gz XJLCKTAELJQXNY-SNVBAGLBSA-N -1 3 275.312 1.208 10 0 CDAEHM CC(C)(C)OC(=O)[C@H](N)c1cccc(-c2nn[n-]n2)c1 ZINC000096028413 185067293 /nfs/dbraw/zinc/06/72/93/185067293.db2.gz XJLCKTAELJQXNY-SNVBAGLBSA-N -1 3 275.312 1.208 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)CCO)c(F)c1F ZINC000625027157 342027491 /nfs/dbraw/zinc/02/74/91/342027491.db2.gz KBVWPLCJVGAXPB-QMMMGPOBSA-N -1 3 293.335 1.570 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@]2(C)CCOC2)c(F)c1F 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/nfs/dbraw/zinc/49/31/20/343493120.db2.gz LIKTVDMQABVDSC-CQSZACIVSA-N -1 3 292.339 1.595 10 0 CDAEHM COC(=O)Cc1nc(NC(=O)[C@]2(C)CC=C(C)CC2)n[n-]1 ZINC000597267276 343493122 /nfs/dbraw/zinc/49/31/22/343493122.db2.gz LIKTVDMQABVDSC-CQSZACIVSA-N -1 3 292.339 1.595 10 0 CDAEHM COC(=O)Cc1n[n-]c(NC(=O)[C@H]2CCCC3(CC3)C2)n1 ZINC000597267325 343493138 /nfs/dbraw/zinc/49/31/38/343493138.db2.gz MMMQVZQWCNNNPI-VIFPVBQESA-N -1 3 292.339 1.429 10 0 CDAEHM COC(=O)Cc1nnc(NC(=O)[C@H]2CCCC3(CC3)C2)[n-]1 ZINC000597267325 343493140 /nfs/dbraw/zinc/49/31/40/343493140.db2.gz MMMQVZQWCNNNPI-VIFPVBQESA-N -1 3 292.339 1.429 10 0 CDAEHM COC(=O)Cc1nc(NC(=O)[C@H]2CCCC3(CC3)C2)n[n-]1 ZINC000597267325 343493141 /nfs/dbraw/zinc/49/31/41/343493141.db2.gz MMMQVZQWCNNNPI-VIFPVBQESA-N -1 3 292.339 1.429 10 0 CDAEHM COC(=O)C12CC(C1)CN2C(=O)c1ccc([O-])c(OC)c1 ZINC000598058377 343698082 /nfs/dbraw/zinc/69/80/82/343698082.db2.gz BKNLHOLGZHFTOZ-UHFFFAOYSA-N -1 3 291.303 1.178 10 0 CDAEHM CCc1cc(C(=O)N(C)[C@H]2C[C@@H](C(=O)OC)C2)ccc1[O-] ZINC000598424310 343787157 /nfs/dbraw/zinc/78/71/57/343787157.db2.gz PDYYDPDCGLUCRV-BETUJISGSA-N -1 3 291.347 1.978 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)[C@@H]1CCC1(C)C ZINC000598847645 343911259 /nfs/dbraw/zinc/91/12/59/343911259.db2.gz OIRCZDSAMWMZFP-ZETCQYMHSA-N -1 3 251.286 1.571 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)[C@@H]1CCC1(C)C ZINC000598847645 343911261 /nfs/dbraw/zinc/91/12/61/343911261.db2.gz OIRCZDSAMWMZFP-ZETCQYMHSA-N -1 3 251.286 1.571 10 0 CDAEHM COC(=O)[C@@]1(OC)CCN(Cc2cc([O-])ccc2Cl)C1 ZINC000599557664 344081817 /nfs/dbraw/zinc/08/18/17/344081817.db2.gz BAKMBCSZDQFGOC-CQSZACIVSA-N -1 3 299.754 1.810 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)[C@]23CCC[C@H]2OCC3)[n-]1 ZINC000601530481 344190233 /nfs/dbraw/zinc/19/02/33/344190233.db2.gz UVRLIOYLIUPLGE-OTYXRUKQSA-N -1 3 293.323 1.484 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)[C@]23CCC[C@H]2OCC3)c[n-]1 ZINC000601530481 344190237 /nfs/dbraw/zinc/19/02/37/344190237.db2.gz UVRLIOYLIUPLGE-OTYXRUKQSA-N 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CC[C@H](NC(=O)c1csc(=O)[n-]1)C(F)(F)F ZINC000352065681 362822105 /nfs/dbraw/zinc/82/21/05/362822105.db2.gz NYNUHFUMUKMXNG-YFKPBYRVSA-N -1 3 254.233 1.919 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)N1CC2(C1)CCOCC2 ZINC000613347837 347694077 /nfs/dbraw/zinc/69/40/77/347694077.db2.gz AEFKQCODGXCOCO-UHFFFAOYSA-N -1 3 279.311 1.713 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCC[C@H](O)C2)s1 ZINC000677238657 482590731 /nfs/dbraw/zinc/59/07/31/482590731.db2.gz GKAFUTBSVDYROR-BDAKNGLRSA-N -1 3 276.383 1.033 10 0 CDAEHM CC(C)(C)c1ccc(NC(=O)[C@@H]2CC(=O)N2)c([O-])c1 ZINC000614489902 348126285 /nfs/dbraw/zinc/12/62/85/348126285.db2.gz XWKGZSBRCVZYQF-JTQLQIEISA-N -1 3 262.309 1.517 10 0 CDAEHM C[C@H](CC(=O)NCCCc1cc(=O)[nH][n-]1)c1cccnc1 ZINC000614921009 348273770 /nfs/dbraw/zinc/27/37/70/348273770.db2.gz LSVWMNSFACFWNT-LLVKDONJSA-N -1 3 288.351 1.348 10 0 CDAEHM CC[C@](C)(NC(=O)CNC(=O)c1cccc([O-])c1)C1CC1 ZINC000618960836 348304377 /nfs/dbraw/zinc/30/43/77/348304377.db2.gz MJQHFRWWTCTIID-INIZCTEOSA-N -1 3 290.363 1.817 10 0 CDAEHM C[C@@](O)(CC(=O)[N-]OCc1ccc(F)cc1)C1CC1 ZINC000273461310 192159951 /nfs/dbraw/zinc/15/99/51/192159951.db2.gz QOGHGGLURNZLLJ-CQSZACIVSA-N -1 3 267.300 1.925 10 0 CDAEHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCOC1 ZINC000615766318 348712676 /nfs/dbraw/zinc/71/26/76/348712676.db2.gz QPYWYYDMOKDDEC-UHFFFAOYSA-N -1 3 261.199 1.841 10 0 CDAEHM O=C(NCc1ccc([O-])c2ncccc12)[C@H]1CCCO1 ZINC000616019508 349246519 /nfs/dbraw/zinc/24/65/19/349246519.db2.gz CSKKJTDMFAAGJG-CYBMUJFWSA-N -1 3 272.304 1.736 10 0 CDAEHM NC(=O)[C@H]1CC[C@@H]1C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616023393 349251135 /nfs/dbraw/zinc/25/11/35/349251135.db2.gz RLIMSLKFCTUROU-RYUDHWBXSA-N -1 3 299.330 1.068 10 0 CDAEHM CC(=O)c1ccc(C(=O)N(C)CC2CN(C)C2)cc1[O-] ZINC000618190195 349396681 /nfs/dbraw/zinc/39/66/81/349396681.db2.gz KQLYPPOWYIJNFV-UHFFFAOYSA-N -1 3 276.336 1.228 10 0 CDAEHM CCC(CC)CCCN(C)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000620199057 350090137 /nfs/dbraw/zinc/09/01/37/350090137.db2.gz 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/nfs/dbraw/zinc/36/37/89/188363789.db2.gz XYJNBVNROZLQPE-SSDOTTSWSA-N -1 3 296.714 1.873 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](C)Oc2ccccc2Cl)n1 ZINC000158208176 188363790 /nfs/dbraw/zinc/36/37/90/188363790.db2.gz XYJNBVNROZLQPE-SSDOTTSWSA-N -1 3 296.714 1.873 10 0 CDAEHM CCc1cc(C(=O)N[C@H](CF)C(=O)OC)ccc1[O-] ZINC000292714633 198385458 /nfs/dbraw/zinc/38/54/58/198385458.db2.gz UGOFGQZTOXNRLF-SNVBAGLBSA-N -1 3 269.272 1.196 10 0 CDAEHM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1cn(CC)cn1)OC ZINC000451684420 363293128 /nfs/dbraw/zinc/29/31/28/363293128.db2.gz XLXUOKLBCDGLDZ-GHMZBOCLSA-N -1 3 289.401 1.242 10 0 CDAEHM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)c1cccc([O-])c1 ZINC000570067043 363341832 /nfs/dbraw/zinc/34/18/32/363341832.db2.gz FDIZVSFEBSDVBH-WCQYABFASA-N -1 3 281.352 1.280 10 0 CDAEHM O=S(=O)([N-][C@@]12C[C@@H]1CCCC2)c1cscn1 ZINC000632654633 363375163 /nfs/dbraw/zinc/37/51/63/363375163.db2.gz YCFCJCPPHGAXBX-WPRPVWTQSA-N -1 3 258.368 1.754 10 0 CDAEHM CCn1nccc1-c1[n-]nnc1C(=O)OC(C)(C)C 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Cc1cccc([O-])c1C(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000628082265 357069987 /nfs/dbraw/zinc/06/99/87/357069987.db2.gz PPTLNHNDDVOBSG-MNOVXSKESA-N -1 3 297.376 1.396 10 0 CDAEHM CCc1ccc([C@H](C)NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000042813355 357081388 /nfs/dbraw/zinc/08/13/88/357081388.db2.gz XTKUXZOZKAFDSD-CABZTGNLSA-N -1 3 289.335 1.024 10 0 CDAEHM COc1cc(=NC(=O)N[C@@H]2CCC[C@@H](F)C2)[n-]n1C ZINC000565537883 357144921 /nfs/dbraw/zinc/14/49/21/357144921.db2.gz HPMUKOAOSDDWGS-RKDXNWHRSA-N -1 3 270.308 1.253 10 0 CDAEHM CC(C)OCCCC[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632200501 357247441 /nfs/dbraw/zinc/24/74/41/357247441.db2.gz APZVTYFAXDIYDN-UHFFFAOYSA-N -1 3 294.398 1.332 10 0 CDAEHM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2cscn2)C1(C)C ZINC000565773412 357372031 /nfs/dbraw/zinc/37/20/31/357372031.db2.gz QDBQIGLTZWUKFY-LDYMZIIASA-N -1 3 290.410 1.625 10 0 CDAEHM COc1nnc(NC(=O)c2csc([C@H]3CCCO3)n2)[n-]1 ZINC000182987217 357452791 /nfs/dbraw/zinc/45/27/91/357452791.db2.gz 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CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000330655471 203084698 /nfs/dbraw/zinc/08/46/98/203084698.db2.gz NXGWMIVROISAFX-PSASIEDQSA-N -1 3 261.343 1.273 10 0 CDAEHM COCCCON=C([O-])Nc1ccnn1[C@@H](C)C1CC1 ZINC000287381233 369182091 /nfs/dbraw/zinc/18/20/91/369182091.db2.gz BGQSHWQSRQRLTO-JTQLQIEISA-N -1 3 282.344 1.944 10 0 CDAEHM COCCCO[N-]C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000287381233 369182094 /nfs/dbraw/zinc/18/20/94/369182094.db2.gz BGQSHWQSRQRLTO-JTQLQIEISA-N -1 3 282.344 1.944 10 0 CDAEHM O=C(/C=C/c1cncc([O-])c1)N1CCC(n2cccn2)CC1 ZINC000367886845 369280544 /nfs/dbraw/zinc/28/05/44/369280544.db2.gz RDNIDWNDRUHUOC-NSCUHMNNSA-N -1 3 298.346 1.861 10 0 CDAEHM Cc1cc(C)nc(-c2noc([C@@H](C)[N-]S(C)(=O)=O)n2)c1 ZINC000330911875 203381594 /nfs/dbraw/zinc/38/15/94/203381594.db2.gz QNRAHODNLKJHSZ-SECBINFHSA-N -1 3 296.352 1.359 10 0 CDAEHM CCC(C)(CC)NC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000547516969 369575845 /nfs/dbraw/zinc/57/58/45/369575845.db2.gz MFSSOPDIGMWIPE-UHFFFAOYSA-N -1 3 254.334 1.551 10 0 CDAEHM COc1cc(=NC(=O)CCc2ccc(F)cc2F)[n-]n1C ZINC000547495386 369570256 /nfs/dbraw/zinc/57/02/56/369570256.db2.gz PCSOPPGDJNKWHN-UHFFFAOYSA-N -1 3 295.289 1.700 10 0 CDAEHM COC(C)(C)CS(=O)(=O)[N-][C@H]1c2ccccc2O[C@@H]1C ZINC000289819435 369676929 /nfs/dbraw/zinc/67/69/29/369676929.db2.gz KPAOVYDVSAGMIB-ZWNOBZJWSA-N -1 3 299.392 1.853 10 0 CDAEHM COc1cc(=NC(=O)NCc2sc(C)nc2C)[n-]n1C ZINC000548166958 369774761 /nfs/dbraw/zinc/77/47/61/369774761.db2.gz TZPZMZXAYOMGMU-UHFFFAOYSA-N -1 3 295.368 1.246 10 0 CDAEHM O=C(Nc1ccccc1[O-])C1(N2CCOCC2)CC1 ZINC000630796873 370019500 /nfs/dbraw/zinc/01/95/00/370019500.db2.gz QSGORORJLVQCPS-UHFFFAOYSA-N -1 3 262.309 1.196 10 0 CDAEHM Cc1nocc1S(=O)(=O)[N-]CCN1CCCC[C@@H]1C ZINC000631751596 370088410 /nfs/dbraw/zinc/08/84/10/370088410.db2.gz MLPKMFSBRHNCOB-JTQLQIEISA-N -1 3 287.385 1.136 10 0 CDAEHM CC[C@@H](C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)N(C)C ZINC000120612229 370432093 /nfs/dbraw/zinc/43/20/93/370432093.db2.gz QUUGIKPZWUYFAN-LBPRGKRZSA-N -1 3 288.355 1.069 10 0 CDAEHM CC[C@@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)N(C)C ZINC000120612229 370432100 /nfs/dbraw/zinc/43/21/00/370432100.db2.gz QUUGIKPZWUYFAN-LBPRGKRZSA-N -1 3 288.355 1.069 10 0 CDAEHM CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1cscn1 ZINC000567769825 371141461 /nfs/dbraw/zinc/14/14/61/371141461.db2.gz PWZZUZIKDPYICG-JTQLQIEISA-N -1 3 289.426 1.296 10 0 CDAEHM C[C@H]1C[C@H](N=c2[n-]c(C3CCC3)no2)CN1C1CC1 ZINC000573435134 371541474 /nfs/dbraw/zinc/54/14/74/371541474.db2.gz BYYFMQGJISOKHS-ONGXEEELSA-N -1 3 262.357 1.796 10 0 CDAEHM CO[C@@H]1C[C@H](CC(=O)[O-])N(CCc2ccccc2F)C1 ZINC000577760937 372113370 /nfs/dbraw/zinc/11/33/70/372113370.db2.gz XCFNXHVHDAIRIJ-CHWSQXEVSA-N -1 3 281.327 1.932 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)[C@H]2CCOC[C@H]2C)n[n-]1 ZINC000192851290 372062968 /nfs/dbraw/zinc/06/29/68/372062968.db2.gz LMBIIBPQNHGFQF-BDAKNGLRSA-N -1 3 281.312 1.198 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)[C@H]2CCOC[C@H]2C)[n-]n1 ZINC000192851290 372062974 /nfs/dbraw/zinc/06/29/74/372062974.db2.gz LMBIIBPQNHGFQF-BDAKNGLRSA-N -1 3 281.312 1.198 10 0 CDAEHM Cc1cc(CN2[C@H](C)CC[C@H](C(=O)[O-])[C@@H]2C)ncn1 ZINC000580964189 372768567 /nfs/dbraw/zinc/76/85/67/372768567.db2.gz PTCFIEFVCBTJNX-MDZLAQPJSA-N -1 3 263.341 1.859 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)[n-]1 ZINC000179702508 372992286 /nfs/dbraw/zinc/99/22/86/372992286.db2.gz UOIOHILCYGWQIN-OIBJUYFYSA-N -1 3 274.280 1.317 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)n[n-]1 ZINC000179702508 372992292 /nfs/dbraw/zinc/99/22/92/372992292.db2.gz UOIOHILCYGWQIN-OIBJUYFYSA-N -1 3 274.280 1.317 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)n1 ZINC000179702508 372992297 /nfs/dbraw/zinc/99/22/97/372992297.db2.gz UOIOHILCYGWQIN-OIBJUYFYSA-N -1 3 274.280 1.317 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2SCCc3ccccc32)[n-]1 ZINC000179378402 372986596 /nfs/dbraw/zinc/98/65/96/372986596.db2.gz WCBPDGVWOOOVHS-SNVBAGLBSA-N -1 3 290.348 1.782 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2SCCc3ccccc32)n[n-]1 ZINC000179378402 372986602 /nfs/dbraw/zinc/98/66/02/372986602.db2.gz WCBPDGVWOOOVHS-SNVBAGLBSA-N -1 3 290.348 1.782 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2SCCc3ccccc32)n1 ZINC000179378402 372986606 /nfs/dbraw/zinc/98/66/06/372986606.db2.gz WCBPDGVWOOOVHS-SNVBAGLBSA-N -1 3 290.348 1.782 10 0 CDAEHM C[C@H](C[S@@](=O)c1cccc([O-])c1)CS(C)(=O)=O ZINC000184050232 373046336 /nfs/dbraw/zinc/04/63/36/373046336.db2.gz KKVVRXWEOZERRC-JDNHERCYSA-N -1 3 276.379 1.181 10 0 CDAEHM COCC[C@H](COC)NC(=O)c1cc(OC)ccc1[O-] ZINC000383263069 373105891 /nfs/dbraw/zinc/10/58/91/373105891.db2.gz DKLLNGYOLHCVAM-SNVBAGLBSA-N -1 3 283.324 1.182 10 0 CDAEHM Cc1cc(CS(=O)(=O)[N-]CCC(F)(F)F)no1 ZINC000340919413 373131546 /nfs/dbraw/zinc/13/15/46/373131546.db2.gz YIDPXYMVXGUOJM-UHFFFAOYSA-N -1 3 272.248 1.355 10 0 CDAEHM COc1ccc(CC[N-]S(=O)(=O)c2cscn2)cc1 ZINC000584466704 373829609 /nfs/dbraw/zinc/82/96/09/373829609.db2.gz ISKJYGQWWRMUKH-UHFFFAOYSA-N -1 3 298.389 1.673 10 0 CDAEHM Cn1[n-]c(CN2CCC[C@]3(CC=CCC3)C2)nc1=O ZINC000334153533 206108382 /nfs/dbraw/zinc/10/83/82/206108382.db2.gz ORPYKDTXOPSEBD-CQSZACIVSA-N -1 3 262.357 1.431 10 0 CDAEHM CCc1nc2n(n1)C[C@@H](NC(=O)c1ccccc1[O-])CC2 ZINC000114890308 374528134 /nfs/dbraw/zinc/52/81/34/374528134.db2.gz KGOFCCBEZGFWAF-JTQLQIEISA-N -1 3 286.335 1.291 10 0 CDAEHM O=C(NCC1CC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000048031441 375269928 /nfs/dbraw/zinc/26/99/28/375269928.db2.gz MRBMENXTRJVQJT-ZDUSSCGKSA-N -1 3 288.347 1.523 10 0 CDAEHM O=C([N-]c1cnns1)C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000627674240 375501463 /nfs/dbraw/zinc/50/14/63/375501463.db2.gz BYPLCFLOCRITGI-HLTSFMKQSA-N -1 3 280.353 1.029 10 0 CDAEHM COc1cc(C(=O)NC[C@H](CO)C2CC2)ccc1[O-] ZINC000427867407 247207296 /nfs/dbraw/zinc/20/72/96/247207296.db2.gz BHUYLDFEIAGEFX-LLVKDONJSA-N -1 3 265.309 1.149 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N[C@H](CCOC)COC)c1 ZINC000427807768 247192575 /nfs/dbraw/zinc/19/25/75/247192575.db2.gz VOYVMEHZPQAVKC-GFCCVEGCSA-N -1 3 281.352 1.736 10 0 CDAEHM CCc1nnc([N-]c2cn(C)nc2OC)nc1CC ZINC000428255423 247271374 /nfs/dbraw/zinc/27/13/74/247271374.db2.gz GXXYDMLWDJKLPT-UHFFFAOYSA-N -1 3 262.317 1.482 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1CCN(CCCF)CC1 ZINC000627964312 375915128 /nfs/dbraw/zinc/91/51/28/375915128.db2.gz LFZVCQBAUUXKBW-UHFFFAOYSA-N -1 3 280.343 1.818 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)Cc2ccoc2)n[n-]1 ZINC000165157739 376304178 /nfs/dbraw/zinc/30/41/78/376304178.db2.gz TZGVLYBPICGHPM-UHFFFAOYSA-N -1 3 271.280 1.584 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)Cc2ccoc2)[n-]n1 ZINC000165157739 376304182 /nfs/dbraw/zinc/30/41/82/376304182.db2.gz TZGVLYBPICGHPM-UHFFFAOYSA-N -1 3 271.280 1.584 10 0 CDAEHM CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000331163610 376644289 /nfs/dbraw/zinc/64/42/89/376644289.db2.gz LVSMCRGGNBXIFF-LLVKDONJSA-N -1 3 272.370 1.351 10 0 CDAEHM COC(=O)c1[n-]c(=NCCN2CCCC[C@@H]2C)sc1C ZINC000433616147 248045827 /nfs/dbraw/zinc/04/58/27/248045827.db2.gz KYOHIJYOLQNFQR-JTQLQIEISA-N -1 3 297.424 1.946 10 0 CDAEHM Cc1nn(C)c(C)c1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000433219819 248013978 /nfs/dbraw/zinc/01/39/78/248013978.db2.gz JCKOWOGVJDIBIG-UHFFFAOYSA-N -1 3 288.286 1.700 10 0 CDAEHM Cc1nn(C)c(C)c1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000433219819 248013980 /nfs/dbraw/zinc/01/39/80/248013980.db2.gz JCKOWOGVJDIBIG-UHFFFAOYSA-N -1 3 288.286 1.700 10 0 CDAEHM Cc1nn(C)c(C)c1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000433219819 248013983 /nfs/dbraw/zinc/01/39/83/248013983.db2.gz JCKOWOGVJDIBIG-UHFFFAOYSA-N -1 3 288.286 1.700 10 0 CDAEHM CCN1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000074272168 376877742 /nfs/dbraw/zinc/87/77/42/376877742.db2.gz AFQZGSGCFLEDPE-UHFFFAOYSA-N -1 3 286.335 1.113 10 0 CDAEHM CC(C)[C@@H](C(=O)[O-])C(=O)NCCN1CCCC[C@H]1C ZINC000567114439 377032256 /nfs/dbraw/zinc/03/22/56/377032256.db2.gz MZGWDLHSQQCBPX-VXGBXAGGSA-N -1 3 270.373 1.334 10 0 CDAEHM O=C(Nc1cc(F)ccc1[O-])C1(N2CCOCC2)CC1 ZINC000632139336 377048819 /nfs/dbraw/zinc/04/88/19/377048819.db2.gz PHXTUQKBDMECIQ-UHFFFAOYSA-N -1 3 280.299 1.335 10 0 CDAEHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)C2CCC(C)CC2)o1 ZINC000632099705 377007895 /nfs/dbraw/zinc/00/78/95/377007895.db2.gz YSETXFAHWZGQMD-INWMGODYSA-N -1 3 287.385 1.937 10 0 CDAEHM O=S(=O)(C[C@@H]1CCC1(F)F)[N-]Cc1ccno1 ZINC000632185246 377104559 /nfs/dbraw/zinc/10/45/59/377104559.db2.gz YVRHNJPVDHZHRJ-ZETCQYMHSA-N -1 3 266.269 1.139 10 0 CDAEHM Cc1nocc1S(=O)(=O)[N-][C@H](CO)c1ccsc1 ZINC000632226938 377154195 /nfs/dbraw/zinc/15/41/95/377154195.db2.gz KULBKEMWIBFOCB-SECBINFHSA-N -1 3 288.350 1.056 10 0 CDAEHM CC[C@@](C)(C[N-]S(=O)(=O)CC1(OC)CCC1)OC ZINC000632409445 377408525 /nfs/dbraw/zinc/40/85/25/377408525.db2.gz WJXTZHQBCIYVSL-NSHDSACASA-N -1 3 279.402 1.290 10 0 CDAEHM CCOCCS(=O)(=O)[N-][C@H](CC)c1nccs1 ZINC000172608985 377651977 /nfs/dbraw/zinc/65/19/77/377651977.db2.gz SXLQFSFIWATOPB-SECBINFHSA-N -1 3 278.399 1.550 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@]12C[C@@H]1CCCC2 ZINC000632654920 377713861 /nfs/dbraw/zinc/71/38/61/377713861.db2.gz CZOCCSJEADGONF-JQWIXIFHSA-N -1 3 270.354 1.902 10 0 CDAEHM O=C(C[C@@H]1C=CCCC1)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633520248 378508797 /nfs/dbraw/zinc/50/87/97/378508797.db2.gz CCLYIXPRKUACTD-SECBINFHSA-N -1 3 263.297 1.250 10 0 CDAEHM C[C@H](CC(=O)NCc1cc(=O)[n-]c(=O)[nH]1)c1ccccc1 ZINC000633520586 378510432 /nfs/dbraw/zinc/51/04/32/378510432.db2.gz AOYSMAJKMWYEFZ-SNVBAGLBSA-N -1 3 287.319 1.698 10 0 CDAEHM Cc1ccc(CC(=O)NCc2cc(=O)[n-]c(=O)[nH]2)cc1C ZINC000633522599 378514302 /nfs/dbraw/zinc/51/43/02/378514302.db2.gz WXZHXUBYFANCJN-UHFFFAOYSA-N -1 3 287.319 1.364 10 0 CDAEHM CCc1ccsc1C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633522384 378514911 /nfs/dbraw/zinc/51/49/11/378514911.db2.gz UAJCNZSOTQIFJU-UHFFFAOYSA-N -1 3 279.321 1.442 10 0 CDAEHM CCC[C@@H](CCO)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000633828876 378780166 /nfs/dbraw/zinc/78/01/66/378780166.db2.gz XXVWDQSIDNSSIZ-NSHDSACASA-N -1 3 288.347 1.809 10 0 CDAEHM O=C(c1cccc([O-])c1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000634241104 379233769 /nfs/dbraw/zinc/23/37/69/379233769.db2.gz VUCTZYATDKNXNT-GXSJLCMTSA-N -1 3 289.253 1.635 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)[C@H]2CCC(C)(C)O2)n1 ZINC000279293588 194371433 /nfs/dbraw/zinc/37/14/33/194371433.db2.gz PQRJHOGIRSWKMG-SNVBAGLBSA-N -1 3 250.298 1.992 10 0 CDAEHM CCOC(=O)c1cc(C(=O)[N-]c2cnc(C)s2)on1 ZINC000450206349 251174010 /nfs/dbraw/zinc/17/40/10/251174010.db2.gz VGBKCVXDUPDYTG-UHFFFAOYSA-N -1 3 281.293 1.869 10 0 CDAEHM CC(C)c1n[n-]c(=NCCN2CCC(C)CC2)o1 ZINC000450257963 251196793 /nfs/dbraw/zinc/19/67/93/251196793.db2.gz OIGOKPZNRDYUIE-UHFFFAOYSA-N -1 3 252.362 1.759 10 0 CDAEHM CC(=O)c1[n-]c(=N[C@@H](C)Cn2cncn2)sc1C ZINC000450291212 251210887 /nfs/dbraw/zinc/21/08/87/251210887.db2.gz SJEALZRAZMSVFL-ZETCQYMHSA-N -1 3 265.342 1.168 10 0 CDAEHM COc1ccc(C(=O)N2CC[C@@](O)(C(F)F)C2)c([O-])c1 ZINC000452684364 252137027 /nfs/dbraw/zinc/13/70/27/252137027.db2.gz LZICFMQWYYRWAP-ZDUSSCGKSA-N -1 3 287.262 1.243 10 0 CDAEHM CCOC(=O)[C@H](CCOC)NC(=O)c1ccc(C)cc1[O-] ZINC000281042002 195080459 /nfs/dbraw/zinc/08/04/59/195080459.db2.gz DPKOGGIEZPNAJP-LBPRGKRZSA-N -1 3 295.335 1.399 10 0 CDAEHM CN(C)S(=O)(=O)N=c1[n-]c(C2CCC2)cs1 ZINC000288498842 197095323 /nfs/dbraw/zinc/09/53/23/197095323.db2.gz DPUQQVVKMIKKQI-UHFFFAOYSA-N -1 3 261.372 1.629 10 0 CDAEHM COCC1(CNC(=O)c2cccc(OC)c2[O-])CC1 ZINC000654095749 413033150 /nfs/dbraw/zinc/03/31/50/413033150.db2.gz VATQNFJFPLUYDE-UHFFFAOYSA-N -1 3 265.309 1.557 10 0 CDAEHM CC(C)(C)OC(=O)N1CCC(c2cc(=O)[n-]cn2)CC1 ZINC000095083487 184937896 /nfs/dbraw/zinc/93/78/96/184937896.db2.gz SHHUXVYRDAIZCE-UHFFFAOYSA-N -1 3 279.340 1.884 10 0 CDAEHM CO[C@@H](C)CC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119643455 390548626 /nfs/dbraw/zinc/54/86/26/390548626.db2.gz PLOIHYXAEDOHSR-QMMMGPOBSA-N -1 3 263.301 1.174 10 0 CDAEHM CO[C@@H](C)CC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119643455 390548627 /nfs/dbraw/zinc/54/86/27/390548627.db2.gz PLOIHYXAEDOHSR-QMMMGPOBSA-N -1 3 263.301 1.174 10 0 CDAEHM COc1nnc(NC(=O)CCc2ccc(F)cc2)[n-]1 ZINC000126811944 390848724 /nfs/dbraw/zinc/84/87/24/390848724.db2.gz VSHUVODHRPUTFA-UHFFFAOYSA-N -1 3 264.260 1.524 10 0 CDAEHM COc1nc(NC(=O)CCc2ccc(F)cc2)n[n-]1 ZINC000126811944 390848727 /nfs/dbraw/zinc/84/87/27/390848727.db2.gz VSHUVODHRPUTFA-UHFFFAOYSA-N -1 3 264.260 1.524 10 0 CDAEHM COc1n[n-]c(NC(=O)CCc2ccc(F)cc2)n1 ZINC000126811944 390848730 /nfs/dbraw/zinc/84/87/30/390848730.db2.gz VSHUVODHRPUTFA-UHFFFAOYSA-N -1 3 264.260 1.524 10 0 CDAEHM CC(C)N(C)C(=O)[C@H](C)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000647367927 390948309 /nfs/dbraw/zinc/94/83/09/390948309.db2.gz AMNOWQWZTCZDSN-GRYCIOLGSA-N -1 3 270.373 1.284 10 0 CDAEHM CC[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000647368883 390950672 /nfs/dbraw/zinc/95/06/72/390950672.db2.gz QRIJUGDWXDOLDB-MJBXVCDLSA-N -1 3 296.411 1.820 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCN(CCCF)CC1 ZINC000137563812 390905797 /nfs/dbraw/zinc/90/57/97/390905797.db2.gz MEKMTWPPMCLODL-UHFFFAOYSA-N -1 3 266.316 1.510 10 0 CDAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC(C)C1 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JVUKORPBWBJEJN-UHFFFAOYSA-N -1 3 266.688 1.648 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2ccccc2Cl)n1 ZINC000126796290 392588290 /nfs/dbraw/zinc/58/82/90/392588290.db2.gz JVUKORPBWBJEJN-UHFFFAOYSA-N -1 3 266.688 1.648 10 0 CDAEHM C[C@@H]1C(=O)N(C)CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000649157704 392884894 /nfs/dbraw/zinc/88/48/94/392884894.db2.gz FHRYMXPAOHJBSP-SNVBAGLBSA-N -1 3 294.326 1.501 10 0 CDAEHM Cc1cc(CS(=O)(=O)[N-][C@@H]2CCCc3c[nH]nc32)no1 ZINC000268810364 132070159 /nfs/dbraw/zinc/07/01/59/132070159.db2.gz TZQSHHPENBZBMW-LLVKDONJSA-N -1 3 296.352 1.203 10 0 CDAEHM CCc1cnc(C[N-]S(=O)(=O)c2cnccc2C)o1 ZINC000451401702 393253129 /nfs/dbraw/zinc/25/31/29/393253129.db2.gz GRVUGWNQNPNOCP-UHFFFAOYSA-N -1 3 281.337 1.419 10 0 CDAEHM N[C@H](CCC(=O)[O-])C(=O)N1CCSc2ccccc21 ZINC000085842560 135038300 /nfs/dbraw/zinc/03/83/00/135038300.db2.gz WEKBGOPCGZKSBE-SECBINFHSA-N -1 3 280.349 1.317 10 0 CDAEHM COC(=O)[C@@H]1CCN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000227019538 140182205 /nfs/dbraw/zinc/18/22/05/140182205.db2.gz PCQXHUZHWCOCBM-LLVKDONJSA-N -1 3 263.293 1.336 10 0 CDAEHM [O-]c1cc(F)cc(CN2CCC(n3cncn3)CC2)c1 ZINC000186200154 140056925 /nfs/dbraw/zinc/05/69/25/140056925.db2.gz WCDWZGNAFQCEHG-UHFFFAOYSA-N -1 3 276.315 1.960 10 0 CDAEHM O=C(c1ccc(Cl)cc1[O-])N1CCN2CCC1CC2 ZINC000188847874 140102661 /nfs/dbraw/zinc/10/26/61/140102661.db2.gz MFTIVWBKWPPVJT-UHFFFAOYSA-N -1 3 280.755 1.966 10 0 CDAEHM Cc1nc(C)c(CCC(=O)N2C[C@H](O)CC[C@H]2C)c(=O)[n-]1 ZINC000399270690 398021461 /nfs/dbraw/zinc/02/14/61/398021461.db2.gz WOGGDNUQHHMYNS-BXKDBHETSA-N -1 3 293.367 1.103 10 0 CDAEHM CCOc1ccc(CN(C)[C@H](CC)C(=O)[O-])nc1 ZINC000650517422 398031256 /nfs/dbraw/zinc/03/12/56/398031256.db2.gz KXRYMKZVKBQBHS-GFCCVEGCSA-N -1 3 252.314 1.775 10 0 CDAEHM Cc1ccncc1S(=O)(=O)[N-]C(C)(C)C(F)F ZINC000649967987 398064146 /nfs/dbraw/zinc/06/41/46/398064146.db2.gz DKKIJWDVRAMPRW-UHFFFAOYSA-N -1 3 264.297 1.712 10 0 CDAEHM COc1nnc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)[n-]1 ZINC000179372533 148110459 /nfs/dbraw/zinc/11/04/59/148110459.db2.gz FINHLBNRNGJVJT-UHFFFAOYSA-N -1 3 298.306 1.764 10 0 CDAEHM COc1nc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)n[n-]1 ZINC000179372533 148110461 /nfs/dbraw/zinc/11/04/61/148110461.db2.gz FINHLBNRNGJVJT-UHFFFAOYSA-N -1 3 298.306 1.764 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)n1 ZINC000179372533 148110463 /nfs/dbraw/zinc/11/04/63/148110463.db2.gz FINHLBNRNGJVJT-UHFFFAOYSA-N -1 3 298.306 1.764 10 0 CDAEHM COc1ccccc1CC(=O)NCc1ncccc1[O-] ZINC000352499636 155228534 /nfs/dbraw/zinc/22/85/34/155228534.db2.gz GTQLSMRHNSXSGA-UHFFFAOYSA-N -1 3 272.304 1.655 10 0 CDAEHM COC(=O)[C@@H]1CCC[C@@H](C(=O)NCc2ncccc2[O-])C1 ZINC000352498618 155228725 /nfs/dbraw/zinc/22/87/25/155228725.db2.gz CGIZEDNEODUWIG-GHMZBOCLSA-N -1 3 292.335 1.383 10 0 CDAEHM C[C@@H](Oc1cccnc1)C(=O)NCc1ncccc1[O-] ZINC000352502275 155232437 /nfs/dbraw/zinc/23/24/37/155232437.db2.gz SEAYDMIUYRJSEO-SNVBAGLBSA-N -1 3 273.292 1.266 10 0 CDAEHM C[C@@H]1C[C@H](C(=O)NCc2ncccc2[O-])CCC1=O ZINC000352514772 155241164 /nfs/dbraw/zinc/24/11/64/155241164.db2.gz CIUZPPMHEAJPSK-NXEZZACHSA-N -1 3 262.309 1.409 10 0 CDAEHM COc1ccccc1NCC(=O)NCc1ncccc1[O-] ZINC000352515438 155241196 /nfs/dbraw/zinc/24/11/96/155241196.db2.gz GUSVMKIUCXJYJE-UHFFFAOYSA-N -1 3 287.319 1.524 10 0 CDAEHM Cn1ncc(C(=O)NCc2ncccc2[O-])c1-n1cccc1 ZINC000352517534 155243013 /nfs/dbraw/zinc/24/30/13/155243013.db2.gz QGQCXBSTRTXESU-UHFFFAOYSA-N -1 3 297.318 1.241 10 0 CDAEHM COc1c(C(=O)N2CCCc3cccc([O-])c32)cnn1C ZINC000413671912 286176159 /nfs/dbraw/zinc/17/61/59/286176159.db2.gz QDNOEXQZPAQZMQ-UHFFFAOYSA-N -1 3 287.319 1.727 10 0 CDAEHM CCc1ccc(C(=O)N2CC[C@H](O)C2(C)C)c([O-])c1 ZINC000335884506 151080551 /nfs/dbraw/zinc/08/05/51/151080551.db2.gz RHOJFYUDXDYYJO-ZDUSSCGKSA-N -1 3 263.337 1.940 10 0 CDAEHM COC(C)(C)CNC(=O)NCc1ncccc1[O-] ZINC000349471772 154121840 /nfs/dbraw/zinc/12/18/40/154121840.db2.gz WRIPJZOCKHLXGC-UHFFFAOYSA-N -1 3 253.302 1.011 10 0 CDAEHM C[C@H]1C[C@@H](NC(=O)NCc2ncccc2[O-])CCO1 ZINC000349793977 154219750 /nfs/dbraw/zinc/21/97/50/154219750.db2.gz ZHNMYRPYIZZJRE-UWVGGRQHSA-N -1 3 265.313 1.154 10 0 CDAEHM CO[C@@H]1CCCC[C@@H]1C(=O)NCc1ncccc1[O-] ZINC000352212716 155026901 /nfs/dbraw/zinc/02/69/01/155026901.db2.gz RKNXDOJZWMCIMB-GXFFZTMASA-N -1 3 264.325 1.609 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c1 ZINC000352331740 155100422 /nfs/dbraw/zinc/10/04/22/155100422.db2.gz RURXXWRBWVLTNH-UHFFFAOYSA-N -1 3 297.302 1.524 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CCc2ccco2)c1 ZINC000359232881 158175464 /nfs/dbraw/zinc/17/54/64/158175464.db2.gz PZTKKGZPYPTYMG-UHFFFAOYSA-N -1 3 269.326 1.017 10 0 CDAEHM C/C=C\C[C@H]([N-]S(=O)(=O)N(CC)CC)C(=O)OCC ZINC000361407138 158837420 /nfs/dbraw/zinc/83/74/20/158837420.db2.gz CTVONDJSONWQNO-GWZUUTHWSA-N -1 3 292.401 1.061 10 0 CDAEHM COc1ccc(NC(=O)c2cc(=O)[n-]c(N(C)C)n2)cc1 ZINC000361497397 158871368 /nfs/dbraw/zinc/87/13/68/158871368.db2.gz YGBRRPZYISBPMP-UHFFFAOYSA-N -1 3 288.307 1.509 10 0 CDAEHM Cc1ccc([O-])c(CN2CCO[C@H](COC(C)C)C2)n1 ZINC000373488049 160204819 /nfs/dbraw/zinc/20/48/19/160204819.db2.gz BHNLTJFATHGWJJ-ZDUSSCGKSA-N -1 3 280.368 1.721 10 0 CDAEHM CC[C@@H]1CCCC[C@H]1C(=O)Nc1n[n-]c(OC)n1 ZINC000356600429 287042522 /nfs/dbraw/zinc/04/25/22/287042522.db2.gz STCBFLXUJMYNDM-RKDXNWHRSA-N -1 3 252.318 1.968 10 0 CDAEHM CC[C@@H]1CCCC[C@H]1C(=O)Nc1nnc(OC)[n-]1 ZINC000356600429 287042527 /nfs/dbraw/zinc/04/25/27/287042527.db2.gz STCBFLXUJMYNDM-RKDXNWHRSA-N -1 3 252.318 1.968 10 0 CDAEHM CC[C@@H]1CCCC[C@H]1C(=O)Nc1nc(OC)n[n-]1 ZINC000356600429 287042531 /nfs/dbraw/zinc/04/25/31/287042531.db2.gz STCBFLXUJMYNDM-RKDXNWHRSA-N -1 3 252.318 1.968 10 0 CDAEHM O=C([N-]c1onc2c1CCCC2)C1=COCCO1 ZINC000008976625 170360217 /nfs/dbraw/zinc/36/02/17/170360217.db2.gz MXCKYIPNTZQWGN-UHFFFAOYSA-N -1 3 250.254 1.380 10 0 CDAEHM COc1ccc(OC)c([C@@H](N)CCCC(=O)[O-])c1 ZINC000020423296 171189668 /nfs/dbraw/zinc/18/96/68/171189668.db2.gz DMYZNPUBQPGWLI-NSHDSACASA-N -1 3 253.298 1.959 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2CCO[C@@]3(CCCOC3)C2)n1 ZINC000285154086 196209480 /nfs/dbraw/zinc/20/94/80/196209480.db2.gz ADMFLTGRAYTHQW-WFASDCNBSA-N -1 3 293.367 1.433 10 0 CDAEHM CN1CCC[C@H]1CNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000663102151 413929492 /nfs/dbraw/zinc/92/94/92/413929492.db2.gz LRGHCXHPSIXRAF-RYUDHWBXSA-N -1 3 268.357 1.088 10 0 CDAEHM C[C@@H]1CCCCN1CCNC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000663112525 413949426 /nfs/dbraw/zinc/94/94/26/413949426.db2.gz KVTSSTHSAKTBQO-ABAIWWIYSA-N -1 3 282.384 1.478 10 0 CDAEHM CO[C@H](C[N-]S(=O)(=O)c1cccs1)[C@@H]1CCOC1 ZINC000657047342 413886705 /nfs/dbraw/zinc/88/67/05/413886705.db2.gz PVTJCUGGBSYVLA-NXEZZACHSA-N -1 3 291.394 1.078 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](O)C23CCC3)c(F)c1 ZINC000657185943 414018380 /nfs/dbraw/zinc/01/83/80/414018380.db2.gz HTRDPUKQNNAMAH-CHWSQXEVSA-N -1 3 299.367 1.716 10 0 CDAEHM C[C@@]1(C[N-]S(=O)(=O)c2cncc(F)c2)CC1(F)F ZINC000657156638 413977791 /nfs/dbraw/zinc/97/77/91/413977791.db2.gz 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ZINC001612988300 1165527823 /nfs/dbraw/zinc/52/78/23/1165527823.db2.gz GIEXGDHUNILCNY-SECBINFHSA-N -1 3 296.334 1.449 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001624763835 1165864268 /nfs/dbraw/zinc/86/42/68/1165864268.db2.gz FFSCPPTWUQCIPX-QWRGUYRKSA-N -1 3 264.300 1.260 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)C=Cc2cccc(F)c2)n1 ZINC001628267877 1166058774 /nfs/dbraw/zinc/05/87/74/1166058774.db2.gz GWPLJDSQGAUVGK-AATRIKPKSA-N -1 3 287.294 1.959 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc([O-])c2F)[C@H](C)CN1C ZINC001631997713 1166321720 /nfs/dbraw/zinc/32/17/20/1166321720.db2.gz WGMILIBXVMYMNI-NXEZZACHSA-N -1 3 266.316 1.696 10 0 CDAEHM O=C(Nc1ccc(Cl)cc1[O-])C1=C2CCCN=C2NN1 ZINC001632243947 1166339878 /nfs/dbraw/zinc/33/98/78/1166339878.db2.gz VETJPNCTEJVETN-UHFFFAOYSA-N -1 3 292.726 1.538 10 0 CDAEHM Cn1cnc(C=CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1 ZINC001637294056 1166742569 /nfs/dbraw/zinc/74/25/69/1166742569.db2.gz DEASVTISGDYVDL-DJWKRKHSSA-N -1 3 283.291 1.654 10 0 CDAEHM O=C(Cc1ccnc(F)c1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001639641356 1166957656 /nfs/dbraw/zinc/95/76/56/1166957656.db2.gz ZHCQXJHUDBYKTG-SNVBAGLBSA-N -1 3 290.298 1.208 10 0 CDAEHM CC(C)(O)CO[N-]C(=O)Cc1c[nH]c2nccc(Cl)c12 ZINC001640041677 1166989272 /nfs/dbraw/zinc/98/92/72/1166989272.db2.gz WNJCGLYMOSRHMV-UHFFFAOYSA-N -1 3 297.742 1.578 10 0 CDAEHM COc1nscc1[N-]C(=O)c1nccn2cc(C)nc12 ZINC001643891467 1167278101 /nfs/dbraw/zinc/27/81/01/1167278101.db2.gz GPPCMPASQZMBRZ-UHFFFAOYSA-N -1 3 289.320 1.755 10 0 CDAEHM CO[C@@H]1CC[C@@H](C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001645944077 1167580588 /nfs/dbraw/zinc/58/05/88/1167580588.db2.gz TUTQDAYSIMUJLY-ZYHUDNBSSA-N -1 3 292.335 1.918 10 0 CDAEHM CN1CC[C@@H](NCc2n[nH]c(=O)[n-]2)[C@H]1c1ccc(F)cc1 ZINC001647198038 1168442940 /nfs/dbraw/zinc/44/29/40/1168442940.db2.gz PLOYBRRSJKJZDK-DGCLKSJQSA-N -1 3 291.330 1.184 10 0 CDAEHM Cc1[nH]c(=O)[nH]c1C(=O)Nc1cc(F)ccc1[O-] ZINC001567234648 1168633088 /nfs/dbraw/zinc/63/30/88/1168633088.db2.gz MAEQQILPBAITIH-UHFFFAOYSA-N -1 3 251.217 1.521 10 0 CDAEHM Cn1nc(C2CC2)cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001649911426 1169490556 /nfs/dbraw/zinc/49/05/56/1169490556.db2.gz OOPIIMHNGUDFIQ-UHFFFAOYSA-N -1 3 299.334 1.923 10 0 CDAEHM CC(C)(C)C(=O)C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001570107664 1170081843 /nfs/dbraw/zinc/08/18/43/1170081843.db2.gz RPJGAGKUSIXJSR-UHFFFAOYSA-N -1 3 287.323 1.344 10 0 CDAEHM CC(C)(C)C(=O)C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001570107664 1170081850 /nfs/dbraw/zinc/08/18/50/1170081850.db2.gz RPJGAGKUSIXJSR-UHFFFAOYSA-N -1 3 287.323 1.344 10 0 CDAEHM CCCCO[C@H]1C[C@H](NC(=O)c2cnncc2[O-])C1(C)C ZINC001587654514 1172993609 /nfs/dbraw/zinc/99/36/09/1172993609.db2.gz KZWHIPZSENQWTO-STQMWFEESA-N -1 3 293.367 1.896 10 0 CDAEHM O=C(N[C@@H](CO)c1ncc[nH]1)c1cc([O-])c2ccccc2c1 ZINC001597917337 1174299706 /nfs/dbraw/zinc/29/97/06/1174299706.db2.gz FWHWBVXLNHAXBS-ZDUSSCGKSA-N -1 3 297.314 1.732 10 0 CDAEHM C/C=C(/C)C(=O)N(C)C[C@H](C)NC(=O)c1ccccc1[O-] ZINC001679949356 1174511601 /nfs/dbraw/zinc/51/16/01/1174511601.db2.gz KLVWATOLDPHRAP-QJGQKNTRSA-N -1 3 290.363 1.935 10 0 CDAEHM CCCC(=O)NCc1nc(CNCC=CCl)cc(=O)[n-]1 ZINC001692124964 1175680596 /nfs/dbraw/zinc/68/05/96/1175680596.db2.gz BMURNLUXZNGUIY-HYXAFXHYSA-N -1 3 298.774 1.441 10 0 CDAEHM CC(C)COCCN1CC(NC(=O)c2ccccc2[O-])C1 ZINC001713807830 1178762457 /nfs/dbraw/zinc/76/24/57/1178762457.db2.gz ORZMYQDNCJFUDX-UHFFFAOYSA-N -1 3 292.379 1.479 10 0 CDAEHM CC(C)[C@H](C)C(=O)NCCNC(=O)c1ccccc1[O-] ZINC000172158702 1181285770 /nfs/dbraw/zinc/28/57/70/1181285770.db2.gz FWBMWZGHUVNREY-NSHDSACASA-N -1 3 278.352 1.530 10 0 CDAEHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(C)nn2)s1 ZINC001771831211 1186894423 /nfs/dbraw/zinc/89/44/23/1186894423.db2.gz AXEYKAARUQYTIQ-UHFFFAOYSA-N -1 3 284.366 1.028 10 0 CDAEHM CC(C)N(CC(=O)[O-])Cc1c2c(nn1C)CCSC2 ZINC001771908765 1186945633 /nfs/dbraw/zinc/94/56/33/1186945633.db2.gz YKXGKDJRZPDDRV-UHFFFAOYSA-N -1 3 283.397 1.504 10 0 CDAEHM COc1cccc(CC(=O)Nc2n[n-]c(SC)n2)n1 ZINC000338729178 1164289175 /nfs/dbraw/zinc/28/91/75/1164289175.db2.gz UAJYNWVRXIGKIZ-UHFFFAOYSA-N -1 3 279.325 1.111 10 0 CDAEHM O=C(Cc1ccoc1)[N-]OCCOc1ccccc1 ZINC001640501219 1167031645 /nfs/dbraw/zinc/03/16/45/1167031645.db2.gz PBILYDAQKWRFQU-UHFFFAOYSA-N -1 3 261.277 1.949 10 0 CDAEHM Cc1nn(CC2CC2)c(C)c1CC(=O)[N-]OCC1CC1 ZINC000846219070 844080430 /nfs/dbraw/zinc/08/04/30/844080430.db2.gz FHHRNRVXMFECHN-UHFFFAOYSA-N -1 3 277.368 1.910 10 0 CDAEHM O=C(C[C@H]1CCC(=O)NC1)[N-]OCCCC(F)(F)F ZINC000871216662 844282708 /nfs/dbraw/zinc/28/27/08/844282708.db2.gz ATTOKLXEBDVNBQ-MRVPVSSYSA-N -1 3 282.262 1.293 10 0 CDAEHM CCOC1CC2(C[C@H]2C(=O)[N-]O[C@H]2CCCCO2)C1 ZINC000865079805 844450220 /nfs/dbraw/zinc/45/02/20/844450220.db2.gz CBZPFAQRCHQENK-ATJQQHLPSA-N -1 3 269.341 1.766 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccnn2C)s1 ZINC000867856919 844499641 /nfs/dbraw/zinc/49/96/41/844499641.db2.gz ZHQSJNXOVHOKSA-ZETCQYMHSA-N -1 3 286.382 1.225 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H](C)CC(F)F ZINC000867447782 844511826 /nfs/dbraw/zinc/51/18/26/844511826.db2.gz YOWBZXPAGRWAKT-GYKQLYQFSA-N -1 3 292.373 1.230 10 0 CDAEHM CCC(C)(C)CC[N-]S(=O)(=O)N=S(C)(C)=O ZINC000867601987 844596045 /nfs/dbraw/zinc/59/60/45/844596045.db2.gz UQGCGHKYLCLIFC-UHFFFAOYSA-N -1 3 270.420 1.375 10 0 CDAEHM CO[C@@]1(CNc2cc(=O)[n-]c(C)n2)CCSC1 ZINC000719295822 843030684 /nfs/dbraw/zinc/03/06/84/843030684.db2.gz ZXBUHXOBVMWEHY-LLVKDONJSA-N -1 3 255.343 1.425 10 0 CDAEHM COc1cccc([O-])c1C(=O)NN1CCC[C@H](OC)C1 ZINC000928421859 843290595 /nfs/dbraw/zinc/29/05/95/843290595.db2.gz MUWXSVVLBDATBG-JTQLQIEISA-N -1 3 280.324 1.156 10 0 CDAEHM Cc1cc(CO[N-]C(=O)CCOc2ccccc2)ncn1 ZINC000793833847 843722948 /nfs/dbraw/zinc/72/29/48/843722948.db2.gz AOJMGAIOFJAXPV-UHFFFAOYSA-N -1 3 287.319 1.802 10 0 CDAEHM O=C(NCc1cccnc1F)c1cc(=O)c2ccccc2[n-]1 ZINC000794005232 843770062 /nfs/dbraw/zinc/77/00/62/843770062.db2.gz DSYCDRAZQURHRY-UHFFFAOYSA-N -1 3 297.289 1.992 10 0 CDAEHM COc1nnc(NC(=O)C2C[C@H]3CC[C@@H](C2)S3)[n-]1 ZINC000716073968 843788782 /nfs/dbraw/zinc/78/87/82/843788782.db2.gz PPBBQOJTLIAARJ-IEESLHIDSA-N -1 3 268.342 1.426 10 0 CDAEHM COc1nc(NC(=O)C2C[C@H]3CC[C@@H](C2)S3)n[n-]1 ZINC000716073968 843788791 /nfs/dbraw/zinc/78/87/91/843788791.db2.gz PPBBQOJTLIAARJ-IEESLHIDSA-N -1 3 268.342 1.426 10 0 CDAEHM COc1n[n-]c(NC(=O)C2C[C@H]3CC[C@@H](C2)S3)n1 ZINC000716073968 843788804 /nfs/dbraw/zinc/78/88/04/843788804.db2.gz PPBBQOJTLIAARJ-IEESLHIDSA-N -1 3 268.342 1.426 10 0 CDAEHM O=C(C[C@@H]1C[C@H]1C1CC1)N1CCc2c(=O)[n-]cnc2C1 ZINC000879446881 843809926 /nfs/dbraw/zinc/80/99/26/843809926.db2.gz UYSOQNMXAHXUFC-JQWIXIFHSA-N -1 3 273.336 1.503 10 0 CDAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H](C)C1CCCC1 ZINC000866787094 843856723 /nfs/dbraw/zinc/85/67/23/843856723.db2.gz HIPSBPNGKCMKHZ-JDNHERCYSA-N -1 3 282.431 1.517 10 0 CDAEHM CC1(F)CN(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC000792527329 843881417 /nfs/dbraw/zinc/88/14/17/843881417.db2.gz WOEOBPTZSISVTF-UHFFFAOYSA-N -1 3 261.256 1.519 10 0 CDAEHM CO[C@H]1C[C@H](C[N-]S(=O)(=O)c2cccnc2Cl)C1 ZINC000714500343 843884568 /nfs/dbraw/zinc/88/45/68/843884568.db2.gz CBGYZXJABPWSTL-KYZUINATSA-N -1 3 290.772 1.438 10 0 CDAEHM COC(OC)[C@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000839772493 843929709 /nfs/dbraw/zinc/92/97/09/843929709.db2.gz ZTXIHLNWJRKAOI-QMMMGPOBSA-N -1 3 271.288 1.197 10 0 CDAEHM Cn1cnc(S(=O)(=O)[N-]CC[C@H]2CC2(Cl)Cl)c1 ZINC000856751361 844768087 /nfs/dbraw/zinc/76/80/87/844768087.db2.gz ZIIKSRUOLVHTDQ-ZETCQYMHSA-N -1 3 298.195 1.282 10 0 CDAEHM C=C[C@H](C)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000187592917 844771221 /nfs/dbraw/zinc/77/12/21/844771221.db2.gz YOJQEONCFKBVEH-IUCAKERBSA-N -1 3 263.359 1.068 10 0 CDAEHM O=C(N[N-]C(=O)c1ccccc1Br)NC1CC1 ZINC000048644040 844937197 /nfs/dbraw/zinc/93/71/97/844937197.db2.gz VMCYBCREGCUKDU-UHFFFAOYSA-N -1 3 298.140 1.556 10 0 CDAEHM CC[S@@](C)(=O)=NC(=O)c1cc(Br)n[n-]1 ZINC000925826091 844983447 /nfs/dbraw/zinc/98/34/47/844983447.db2.gz LPRDPADVVQYMPZ-CQSZACIVSA-N -1 3 280.147 1.430 10 0 CDAEHM CC[S@@](C)(=O)=NC(=O)c1cc(Br)[n-]n1 ZINC000925826091 844983454 /nfs/dbraw/zinc/98/34/54/844983454.db2.gz LPRDPADVVQYMPZ-CQSZACIVSA-N -1 3 280.147 1.430 10 0 CDAEHM C[C@@H](OC(=O)c1cnn[n-]1)C(=O)C1CCCCC1 ZINC000837729247 845014170 /nfs/dbraw/zinc/01/41/70/845014170.db2.gz QWOHOXLXHAZRIQ-MRVPVSSYSA-N -1 3 251.286 1.499 10 0 CDAEHM C[C@@H](OC(=O)c1c[n-]nn1)C(=O)C1CCCCC1 ZINC000837729247 845014174 /nfs/dbraw/zinc/01/41/74/845014174.db2.gz QWOHOXLXHAZRIQ-MRVPVSSYSA-N -1 3 251.286 1.499 10 0 CDAEHM CCCC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866377390 845042605 /nfs/dbraw/zinc/04/26/05/845042605.db2.gz ISRZVWYQYVPMSZ-UHFFFAOYSA-N -1 3 296.190 1.261 10 0 CDAEHM CCS(=O)(CC)=NS(=O)(=O)[N-][C@]12C[C@H]1CCCC2 ZINC000867626742 845209073 /nfs/dbraw/zinc/20/90/73/845209073.db2.gz SXDZUSLBGHOUFN-GHMZBOCLSA-N -1 3 294.442 1.661 10 0 CDAEHM CC[C@@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000828075929 845244451 /nfs/dbraw/zinc/24/44/51/845244451.db2.gz OAPVUGKJLAUNBI-KOLCDFICSA-N -1 3 275.370 1.663 10 0 CDAEHM COC(=O)CCCO[N-]C(=O)CC1CC(C)(C)C1 ZINC000832156474 845294162 /nfs/dbraw/zinc/29/41/62/845294162.db2.gz KCLMAYBKDUTBQU-UHFFFAOYSA-N -1 3 257.330 1.814 10 0 CDAEHM O=c1[nH]cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2F)s1 ZINC000867611710 845380176 /nfs/dbraw/zinc/38/01/76/845380176.db2.gz NIVBOZPUSMRDBP-RQJHMYQMSA-N -1 3 280.346 1.408 10 0 CDAEHM O=C(c1cc2sccc2c([O-])c1)N1CC(CO)C1 ZINC000788309570 845440597 /nfs/dbraw/zinc/44/05/97/845440597.db2.gz RJSVLQPXZIUTQR-UHFFFAOYSA-N -1 3 263.318 1.671 10 0 CDAEHM Cn1cc(CCOC(=O)c2ccc(N)c(Cl)c2[O-])nn1 ZINC000859731013 845630495 /nfs/dbraw/zinc/63/04/95/845630495.db2.gz WJOBWCSHPCRRKM-UHFFFAOYSA-N -1 3 296.714 1.156 10 0 CDAEHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)NC2CCCC2)C1 ZINC000062877690 845697920 /nfs/dbraw/zinc/69/79/20/845697920.db2.gz DHAPXMQGDLFAPG-OAHLLOKOSA-N -1 3 282.384 1.622 10 0 CDAEHM C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1C[C@H](C(=O)[O-])[C@H]2C[C@H]21 ZINC000923194146 845768389 /nfs/dbraw/zinc/76/83/89/845768389.db2.gz LSODARUUPNXJPP-WWBIDZNWSA-N -1 3 280.368 1.085 10 0 CDAEHM COc1nnc(NC(=O)C2=NO[C@H](c3ccccc3)C2)[n-]1 ZINC000778956237 846065779 /nfs/dbraw/zinc/06/57/79/846065779.db2.gz KBTCZDUTIWHAGX-JTQLQIEISA-N -1 3 287.279 1.269 10 0 CDAEHM COc1nc(NC(=O)C2=NO[C@H](c3ccccc3)C2)n[n-]1 ZINC000778956237 846065790 /nfs/dbraw/zinc/06/57/90/846065790.db2.gz KBTCZDUTIWHAGX-JTQLQIEISA-N -1 3 287.279 1.269 10 0 CDAEHM COc1n[n-]c(NC(=O)C2=NO[C@H](c3ccccc3)C2)n1 ZINC000778956237 846065791 /nfs/dbraw/zinc/06/57/91/846065791.db2.gz KBTCZDUTIWHAGX-JTQLQIEISA-N -1 3 287.279 1.269 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3C[C@@H]32)nn1 ZINC000867387864 846151329 /nfs/dbraw/zinc/15/13/29/846151329.db2.gz UOXBRCMDNVQAGX-OUAUKWLOSA-N -1 3 267.354 1.252 10 0 CDAEHM CS(C)(=O)=NS(=O)(=O)[N-][C@@H]1C[C@H]1c1ccsc1 ZINC000867564610 846182583 /nfs/dbraw/zinc/18/25/83/846182583.db2.gz YKJJFYBCHVIEDX-DTWKUNHWSA-N -1 3 294.423 1.166 10 0 CDAEHM CC(C)CO[N-]C(=O)[C@@H]1CCc2nnc(C3CC3)n2C1 ZINC000815859615 846192991 /nfs/dbraw/zinc/19/29/91/846192991.db2.gz HPKHRWKMVIXPJD-LLVKDONJSA-N -1 3 278.356 1.422 10 0 CDAEHM CSc1cnc(N2CCc3c(nc[n-]c3=O)C2)nc1 ZINC000804609942 846211976 /nfs/dbraw/zinc/21/19/76/846211976.db2.gz LIYXLDJPBVEQKU-UHFFFAOYSA-N -1 3 275.337 1.257 10 0 CDAEHM O=C(c1nnc2ccccc2c1[O-])N1CCCSCC1 ZINC000111568994 846253433 /nfs/dbraw/zinc/25/34/33/846253433.db2.gz JVKJUYVYCDZRDP-UHFFFAOYSA-N -1 3 289.360 1.502 10 0 CDAEHM CCCCOCCC[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000866387000 846260341 /nfs/dbraw/zinc/26/03/41/846260341.db2.gz NXEBCWZLVSEAQU-UHFFFAOYSA-N -1 3 287.385 1.270 10 0 CDAEHM O=S(=O)([N-][C@H]1CNOC1)c1cc(Cl)ccc1Cl ZINC000722499930 846353424 /nfs/dbraw/zinc/35/34/24/846353424.db2.gz FGAHHRCDQUOQOU-ZETCQYMHSA-N -1 3 297.163 1.175 10 0 CDAEHM CC(C)(C)NC(=O)COC(=O)Cc1ccc([O-])c(F)c1 ZINC000838141940 846440756 /nfs/dbraw/zinc/44/07/56/846440756.db2.gz UIISRFVKXZJGKP-UHFFFAOYSA-N -1 3 283.299 1.532 10 0 CDAEHM O=C(NCc1cccnc1F)c1ccc(O)cc1[O-] ZINC000794019932 846519407 /nfs/dbraw/zinc/51/94/07/846519407.db2.gz SLNVOWIVCOOQIF-UHFFFAOYSA-N -1 3 262.240 1.562 10 0 CDAEHM CO[C@@H](C(=O)NCc1nc(C(F)(F)F)n[n-]1)C1CCC1 ZINC000832444450 846596270 /nfs/dbraw/zinc/59/62/70/846596270.db2.gz PIRJUJYSSCOLCV-MRVPVSSYSA-N -1 3 292.261 1.255 10 0 CDAEHM Cn1[n-]c(=O)c2c1CN(Cc1nnsc1Cl)CC2 ZINC000931200385 846611823 /nfs/dbraw/zinc/61/18/23/846611823.db2.gz VFGUBCPKBCISCB-UHFFFAOYSA-N -1 3 285.760 1.189 10 0 CDAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCCC(C)(C)C1 ZINC000867159844 846619633 /nfs/dbraw/zinc/61/96/33/846619633.db2.gz VFSLTOFTXUTHPH-BMLIUANNSA-N -1 3 296.458 1.907 10 0 CDAEHM COC[C@@H]1CCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000817807661 846633929 /nfs/dbraw/zinc/63/39/29/846633929.db2.gz IBIFFMOCEXNOMX-VIFPVBQESA-N -1 3 273.292 1.196 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C[C@H]1CC=CCC1 ZINC000934363793 846735571 /nfs/dbraw/zinc/73/55/71/846735571.db2.gz MUHFOWCZWORVGN-VIFPVBQESA-N -1 3 263.297 1.881 10 0 CDAEHM CSc1nccnc1C(=O)[N-]c1nc2n(n1)CCCC2 ZINC000880250739 846852658 /nfs/dbraw/zinc/85/26/58/846852658.db2.gz LVAVTWPLWOFFFD-UHFFFAOYSA-N -1 3 290.352 1.379 10 0 CDAEHM COC(=O)C[C@](C)([N-]C(=O)C(F)(F)C(F)F)C1CC1 ZINC000871235207 846908109 /nfs/dbraw/zinc/90/81/09/846908109.db2.gz PVJRLMSZTDUYQL-JTQLQIEISA-N -1 3 285.237 1.735 10 0 CDAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H](C(C)C)C1CC1 ZINC000867530430 846942896 /nfs/dbraw/zinc/94/28/96/846942896.db2.gz WGVZRZPIYOKVIS-QLJPJBMISA-N -1 3 282.431 1.373 10 0 CDAEHM O=S(=O)(N=S1(=O)CCCC1)[N-]CCCCC1CC1 ZINC000867783277 846956618 /nfs/dbraw/zinc/95/66/18/846956618.db2.gz FIHDEMCQQJZYNO-UHFFFAOYSA-N -1 3 294.442 1.663 10 0 CDAEHM COC(=O)C[N-]C(=O)C(F)(F)c1ccccc1OC ZINC000854176498 847112054 /nfs/dbraw/zinc/11/20/54/847112054.db2.gz PWJMYSHBGGGPAJ-UHFFFAOYSA-N -1 3 273.235 1.076 10 0 CDAEHM COC[C@@H](CO[N-]C(=O)CCc1ccc(OC)cc1)OC ZINC000871798625 847293487 /nfs/dbraw/zinc/29/34/87/847293487.db2.gz NKTDVSKSAHWOQI-AWEZNQCLSA-N -1 3 297.351 1.337 10 0 CDAEHM 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CCO[C@@H]1COCC[C@@H]1CC(=O)Nc1ncccc1[O-] ZINC000867341119 925981263 /nfs/dbraw/zinc/98/12/63/925981263.db2.gz GAZJJDDAIKIACM-ZYHUDNBSSA-N -1 3 280.324 1.557 10 0 CDAEHM O=C1[N-]C(=O)C(=CNCC[C@H]2CCOC2)c2ccccc21 ZINC000783687976 937278028 /nfs/dbraw/zinc/27/80/28/937278028.db2.gz RVVGBOHHNQYVHE-LUHPIMIVSA-N -1 3 286.331 1.314 10 0 CDAEHM CC[C@H](C)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000400787660 937304769 /nfs/dbraw/zinc/30/47/69/937304769.db2.gz SDWFQLPIODUZRR-XWLWVQCSSA-N -1 3 256.346 1.119 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2c[nH]ccc2=O)c1 ZINC001143852597 931565846 /nfs/dbraw/zinc/56/58/46/931565846.db2.gz DVCNELBUCDWITI-UHFFFAOYSA-N -1 3 299.286 1.457 10 0 CDAEHM CCc1c[nH]c(CNC(=O)c2ccc(O)cc2[O-])n1 ZINC000719146124 931906222 /nfs/dbraw/zinc/90/62/22/931906222.db2.gz JFRZZVXGBGZXCQ-UHFFFAOYSA-N -1 3 261.281 1.313 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1nccc2occc21 ZINC001412527051 932468080 /nfs/dbraw/zinc/46/80/80/932468080.db2.gz NDYFQQISSWHQOF-SECBINFHSA-N -1 3 286.291 1.070 10 0 CDAEHM Cc1cnc([C@H](C)N2CCC(Cc3nn[n-]n3)CC2)o1 ZINC001413049213 935265722 /nfs/dbraw/zinc/26/57/22/935265722.db2.gz OPKMFJYYIPLWDH-JTQLQIEISA-N -1 3 276.344 1.512 10 0 CDAEHM O=C(N1Cc2nc(C3CC3)[n-]c(=O)c2C1)[C@@]1(F)CCOC1 ZINC001413514562 936116976 /nfs/dbraw/zinc/11/69/76/936116976.db2.gz NHVSXMBHRDHERB-CQSZACIVSA-N -1 3 293.298 1.030 10 0 CDAEHM Cc1sccc1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001164349025 939461136 /nfs/dbraw/zinc/46/11/36/939461136.db2.gz WHTZMUYJKPYOLF-UHFFFAOYSA-N -1 3 281.362 1.771 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)c2cc(F)cc(F)c2N)n1 ZINC001164369306 939465894 /nfs/dbraw/zinc/46/58/94/939465894.db2.gz KVYRYRBGLXMFQR-UHFFFAOYSA-N -1 3 294.261 1.281 10 0 CDAEHM COc1cccc([O-])c1C(=O)N[C@@H]1CCOC[C@H]1C ZINC000405232137 940976049 /nfs/dbraw/zinc/97/60/49/940976049.db2.gz BOVBKYHJGAFAES-NXEZZACHSA-N -1 3 265.309 1.556 10 0 CDAEHM COc1cccc([O-])c1C(=O)N[C@@H]1CCC[C@@H](CO)C1 ZINC000405299879 940980376 /nfs/dbraw/zinc/98/03/76/940980376.db2.gz IWPGJZFWGCOGBV-GHMZBOCLSA-N -1 3 279.336 1.682 10 0 CDAEHM C[C@@H]1CCC(=O)CN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001473853318 970865099 /nfs/dbraw/zinc/86/50/99/970865099.db2.gz QREMTBLJCNHSHH-SECBINFHSA-N -1 3 261.325 1.613 10 0 CDAEHM CNc1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)cc1F ZINC001362124474 970914861 /nfs/dbraw/zinc/91/48/61/970914861.db2.gz MDYRJECZWHISIH-JTQLQIEISA-N -1 3 292.314 1.109 10 0 CDAEHM COc1nnc(NC(=O)c2ccc3cnccc3c2)[n-]1 ZINC000702854394 944729918 /nfs/dbraw/zinc/72/99/18/944729918.db2.gz QDJLZSHRZBURKC-UHFFFAOYSA-N -1 3 269.264 1.614 10 0 CDAEHM COc1nc(NC(=O)c2ccc3cnccc3c2)n[n-]1 ZINC000702854394 944729931 /nfs/dbraw/zinc/72/99/31/944729931.db2.gz QDJLZSHRZBURKC-UHFFFAOYSA-N -1 3 269.264 1.614 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc3cnccc3c2)n1 ZINC000702854394 944729940 /nfs/dbraw/zinc/72/99/40/944729940.db2.gz QDJLZSHRZBURKC-UHFFFAOYSA-N -1 3 269.264 1.614 10 0 CDAEHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@H](O)C2)c1 ZINC001362303961 971136910 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CC(C)c1nnc(CN2CC[C@@H](c3nn[n-]n3)C2)s1 ZINC001363819090 953858668 /nfs/dbraw/zinc/85/86/68/953858668.db2.gz MWOBAMGUHHHZML-MRVPVSSYSA-N -1 3 279.373 1.164 10 0 CDAEHM CCn1cnnc1SCc1nc2c(c(=O)[n-]1)COCC2 ZINC001364268684 954405518 /nfs/dbraw/zinc/40/55/18/954405518.db2.gz JRDQOVAIZHJOBL-UHFFFAOYSA-N -1 3 293.352 1.159 10 0 CDAEHM CSC1(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)CC1 ZINC001364307966 954448245 /nfs/dbraw/zinc/44/82/45/954448245.db2.gz IKCJCWVVTWYDHH-RXMQYKEDSA-N -1 3 294.302 1.896 10 0 CDAEHM C[C@H](CCNCc1cc2n(n1)CCCC2)CC(=O)[O-] ZINC001326756174 954526286 /nfs/dbraw/zinc/52/62/86/954526286.db2.gz GUOOZHVPMZIPNQ-LLVKDONJSA-N -1 3 265.357 1.810 10 0 CDAEHM O=C1OCC[C@H]1CCN1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001364499724 954693512 /nfs/dbraw/zinc/69/35/12/954693512.db2.gz KHFMSUHZMGWGDS-SNVBAGLBSA-N -1 3 289.335 1.328 10 0 CDAEHM CC(C)=CC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001493818978 972120227 /nfs/dbraw/zinc/12/02/27/972120227.db2.gz JEHJTBOEFARBRM-LBPRGKRZSA-N -1 3 288.347 1.689 10 0 CDAEHM Cc1cc(CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)c(C)nn1 ZINC001422199631 955837287 /nfs/dbraw/zinc/83/72/87/955837287.db2.gz ZNSWDKZNTXJFIK-UHFFFAOYSA-N -1 3 297.362 1.982 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C/C=C/C2CC2)nn1 ZINC001331937357 957348921 /nfs/dbraw/zinc/34/89/21/957348921.db2.gz KQSSLLCQVYGGSV-NSCUHMNNSA-N -1 3 253.327 1.030 10 0 CDAEHM Cc1oc(C(=O)[O-])cc1CNCC[S@](=O)C(C)(C)C ZINC001331967929 957373058 /nfs/dbraw/zinc/37/30/58/957373058.db2.gz VJCLLBNMEIXEOO-IBGZPJMESA-N -1 3 287.381 1.923 10 0 CDAEHM CCC[C@H](CC)C(=O)N(C)C[C@@H](C)NC(=O)c1cn[n-]n1 ZINC001425204735 957489135 /nfs/dbraw/zinc/48/91/35/957489135.db2.gz IWAFZDIVCLDELO-MNOVXSKESA-N -1 3 295.387 1.208 10 0 CDAEHM CC(C)n1ncnc1CN[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC001332424566 957560308 /nfs/dbraw/zinc/56/03/08/957560308.db2.gz YROVXHUIUSZPDX-MFKMUULPSA-N -1 3 266.345 1.592 10 0 CDAEHM O=C(NCCc1cccc(F)c1F)c1cnncc1[O-] ZINC001433692768 960525838 /nfs/dbraw/zinc/52/58/38/960525838.db2.gz ICDFVKQZIZRBRV-UHFFFAOYSA-N -1 3 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CC(C)c1ccc(C(=O)N[C@H]2COCCC2=O)c([O-])c1 ZINC000628885235 361254468 /nfs/dbraw/zinc/25/44/68/361254468.db2.gz HUQBTPRRHKXJAH-LBPRGKRZSA-N -1 3 277.320 1.603 10 0 CDAEHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cscn2)C12CCC2 ZINC000645755612 361304971 /nfs/dbraw/zinc/30/49/71/361304971.db2.gz RQAJSNZZWWLKRH-BDAKNGLRSA-N -1 3 288.394 1.379 10 0 CDAEHM CC(C)c1ccc(C(=O)NC[C@@H]2COCCN2C)c([O-])c1 ZINC000628918237 361305551 /nfs/dbraw/zinc/30/55/51/361305551.db2.gz NQXIOPKKJARWKJ-CYBMUJFWSA-N -1 3 292.379 1.576 10 0 CDAEHM O=S(=O)([N-][C@@H](CO)Cc1ccccc1)c1cscn1 ZINC000519536332 361342153 /nfs/dbraw/zinc/34/21/53/361342153.db2.gz GMRXFNVSWYGPMZ-LLVKDONJSA-N -1 3 298.389 1.025 10 0 CDAEHM C/C=C\CNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000629040334 361435848 /nfs/dbraw/zinc/43/58/48/361435848.db2.gz QUIJNZQBMQTOKW-ABCZVMIZSA-N -1 3 287.319 1.047 10 0 CDAEHM Cc1nc(C)c(S(=O)(=O)[N-]CC(=O)C(C)C)s1 ZINC000133633463 361417251 /nfs/dbraw/zinc/41/72/51/361417251.db2.gz INQATKKYSHJRAN-UHFFFAOYSA-N -1 3 276.383 1.263 10 0 CDAEHM CC(C)[C@@H](O)CN=c1cc(-c2ccccc2)n2[n-]cnc2n1 ZINC000631127934 361417994 /nfs/dbraw/zinc/41/79/94/361417994.db2.gz WLEVLPRELDEROL-AWEZNQCLSA-N -1 3 297.362 1.642 10 0 CDAEHM O=C(N[C@@H]1CCc2[nH]cnc2C1)c1c([O-])cccc1O ZINC000436648106 361551076 /nfs/dbraw/zinc/55/10/76/361551076.db2.gz LELFWXFZKIOBAV-MRVPVSSYSA-N -1 3 273.292 1.108 10 0 CDAEHM O=C(N[C@@H]1CCc2nc[nH]c2C1)c1c([O-])cccc1O ZINC000436648106 361551080 /nfs/dbraw/zinc/55/10/80/361551080.db2.gz LELFWXFZKIOBAV-MRVPVSSYSA-N -1 3 273.292 1.108 10 0 CDAEHM COc1cc(C(=O)N[C@H]2CC[C@H](OC)C2)cc(OC)c1[O-] ZINC000436891422 361601076 /nfs/dbraw/zinc/60/10/76/361601076.db2.gz FYKJEZLJXZBZCT-QWRGUYRKSA-N -1 3 295.335 1.707 10 0 CDAEHM CCc1ccc(C(=O)NCc2ccn(C)n2)c([O-])c1 ZINC000436825902 361584518 /nfs/dbraw/zinc/58/45/18/361584518.db2.gz IICJVXBVJKSBPB-UHFFFAOYSA-N -1 3 259.309 1.618 10 0 CDAEHM Cc1ccc(C(=O)N[C@H]2CO[C@@H](C3CC3)C2)c([O-])c1 ZINC000629134158 361619314 /nfs/dbraw/zinc/61/93/14/361619314.db2.gz ZKZXPGWVHXBCFG-BXUZGUMPSA-N -1 3 261.321 1.998 10 0 CDAEHM Cc1cc(C(=O)N2CCN(C(=O)C(C)C)CC2)ccc1[O-] ZINC000272386800 239032718 /nfs/dbraw/zinc/03/27/18/239032718.db2.gz GIPOTLWEDXTOCD-UHFFFAOYSA-N -1 3 290.363 1.641 10 0 CDAEHM COc1cccc(C(=O)NCCCO[C@H]2CCOC2)c1[O-] ZINC000268280320 364023370 /nfs/dbraw/zinc/02/33/70/364023370.db2.gz VQACCJUCMYWVQO-NSHDSACASA-N -1 3 295.335 1.326 10 0 CDAEHM [O-]c1ccc(F)c(CN2CCN3CCOC[C@H]3C2)c1F ZINC000352885842 364361293 /nfs/dbraw/zinc/36/12/93/364361293.db2.gz DWXXFIBZRFVTQP-SNVBAGLBSA-N -1 3 284.306 1.187 10 0 CDAEHM COc1cccc(C(=O)NCCc2nc(C)no2)c1[O-] ZINC000101663549 364432308 /nfs/dbraw/zinc/43/23/08/364432308.db2.gz FDPXADDSZVGHDD-UHFFFAOYSA-N -1 3 277.280 1.065 10 0 CDAEHM O=C(NCCc1c[nH]c2ccccc12)c1cnc[n-]c1=O ZINC000075094533 366855044 /nfs/dbraw/zinc/85/50/44/366855044.db2.gz VSBXPOBEBJCAJA-UHFFFAOYSA-N -1 3 282.303 1.224 10 0 CDAEHM O=c1[n-]c(=O)n(Cc2ncc(C3CC3)o2)cc1Cl ZINC000270510473 364630290 /nfs/dbraw/zinc/63/02/90/364630290.db2.gz WSDCGZXOILXADW-UHFFFAOYSA-N -1 3 267.672 1.516 10 0 CDAEHM COCCC[C@H](C)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352991997 364699643 /nfs/dbraw/zinc/69/96/43/364699643.db2.gz UZVLMPPNRULWMF-CMPLNLGQSA-N -1 3 281.356 1.684 10 0 CDAEHM CCOC(=O)C(C)(C)NC(=O)c1cccc(C)c1[O-] ZINC000171314261 365251573 /nfs/dbraw/zinc/25/15/73/365251573.db2.gz ZTTASRYCVUGCPZ-UHFFFAOYSA-N -1 3 265.309 1.772 10 0 CDAEHM CC(=O)N1CCC(CNC(=O)c2cccc([O-])c2)CC1 ZINC000272845520 365418439 /nfs/dbraw/zinc/41/84/39/365418439.db2.gz RZHOWHZFUWHNKP-UHFFFAOYSA-N -1 3 276.336 1.381 10 0 CDAEHM COC(=O)c1cc(NC(=O)c2cccc([O-])c2)cn1C ZINC000357295293 366893954 /nfs/dbraw/zinc/89/39/54/366893954.db2.gz AJTZENRNUHKUCW-UHFFFAOYSA-N -1 3 274.276 1.770 10 0 CDAEHM Cc1ccc([O-])c(CN(C[C@@H]2CCC(=O)N2)C(C)C)n1 ZINC000414554353 241254764 /nfs/dbraw/zinc/25/47/64/241254764.db2.gz GWZPACLWKGTWCZ-LBPRGKRZSA-N -1 3 277.368 1.585 10 0 CDAEHM C[C@H]([N-]C(=O)C(F)(F)C1(O)CCCCC1)c1ncon1 ZINC000279486559 367010905 /nfs/dbraw/zinc/01/09/05/367010905.db2.gz OSOUOPAUESFEBZ-QMMMGPOBSA-N -1 3 289.282 1.577 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1cc(-n2cccc2)ccn1 ZINC000357460855 367013028 /nfs/dbraw/zinc/01/30/28/367013028.db2.gz CZKZAZSGGAIPEN-UHFFFAOYSA-N -1 3 294.314 1.903 10 0 CDAEHM CCC(=O)C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000416464546 242016496 /nfs/dbraw/zinc/01/64/96/242016496.db2.gz IGCFOCLPDVPGHK-SECBINFHSA-N -1 3 285.369 1.038 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)o1)[C@@H]1CCCO1 ZINC000358607285 367812358 /nfs/dbraw/zinc/81/23/58/367812358.db2.gz XVBOHIMSBDEQMR-MNOVXSKESA-N -1 3 273.354 1.824 10 0 CDAEHM C[C@H]1CCCN1S(=O)(=O)[N-]c1cc2n(n1)CCCC2 ZINC000375647065 370887834 /nfs/dbraw/zinc/88/78/34/370887834.db2.gz MZWYDSKAPGVYAY-JTQLQIEISA-N -1 3 284.385 1.360 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2)o1 ZINC000358609718 367814963 /nfs/dbraw/zinc/81/49/63/367814963.db2.gz KJKLFCXQNOOKRM-ZDUSSCGKSA-N -1 3 295.360 1.642 10 0 CDAEHM Cc1nc(C)c(CC(=O)N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c(=O)[n-]1 ZINC000529978699 368104058 /nfs/dbraw/zinc/10/40/58/368104058.db2.gz FJSIHZUDLVBORX-TVNAWZMTSA-N -1 3 293.367 1.270 10 0 CDAEHM O=C(Nc1cccc([O-])c1F)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000543746570 368965987 /nfs/dbraw/zinc/96/59/87/368965987.db2.gz VKLPJAFLOOMNOK-KOLSJAJHSA-N -1 3 251.257 1.895 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCC[C@H](C)CO)o1 ZINC000330639939 203068556 /nfs/dbraw/zinc/06/85/56/203068556.db2.gz CIJINMARQUNJOH-VIFPVBQESA-N -1 3 261.343 1.275 10 0 CDAEHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(C)o1)C(C)C ZINC000330643276 203071398 /nfs/dbraw/zinc/07/13/98/203071398.db2.gz FFKMIPFJPAZIPZ-JTQLQIEISA-N -1 3 261.343 1.537 10 0 CDAEHM COc1cc(C(=O)N2CC[C@H](C)[C@H](OC)C2)ccc1[O-] ZINC000276054136 193200049 /nfs/dbraw/zinc/20/00/49/193200049.db2.gz YMZMXPGHTLSDCI-IINYFYTJSA-N -1 3 279.336 1.898 10 0 CDAEHM COc1cc(=NC(=O)NCCC(C)(C)C)[n-]n1C ZINC000547514864 369575871 /nfs/dbraw/zinc/57/58/71/369575871.db2.gz CDSODRLVKXSVIZ-UHFFFAOYSA-N 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299.277 1.566 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)N1CC[C@@]12CCOC2 ZINC000422239455 245053104 /nfs/dbraw/zinc/05/31/04/245053104.db2.gz SYTCVHBLKWBORE-AWEZNQCLSA-N -1 3 280.299 1.606 10 0 CDAEHM CCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000389970466 370487897 /nfs/dbraw/zinc/48/78/97/370487897.db2.gz HOAMNTFEUNHFQY-SNVBAGLBSA-N -1 3 268.744 1.870 10 0 CDAEHM C[C@@H]1C[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)O1 ZINC000630885557 371373754 /nfs/dbraw/zinc/37/37/54/371373754.db2.gz SLNUCKJIIJWJDG-LNLATYFQSA-N -1 3 287.323 1.619 10 0 CDAEHM C[C@@H]1C[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)O1 ZINC000630885557 371373759 /nfs/dbraw/zinc/37/37/59/371373759.db2.gz SLNUCKJIIJWJDG-LNLATYFQSA-N -1 3 287.323 1.619 10 0 CDAEHM COC(=O)Cc1ccc(NC([O-])=NOC(C)(C)CO)cc1 ZINC000296385649 371738252 /nfs/dbraw/zinc/73/82/52/371738252.db2.gz HYVACBSFVRTHOD-UHFFFAOYSA-N -1 3 296.323 1.226 10 0 CDAEHM COC(=O)Cc1ccc(NC(=O)[N-]OC(C)(C)CO)cc1 ZINC000296385649 371738258 /nfs/dbraw/zinc/73/82/58/371738258.db2.gz HYVACBSFVRTHOD-UHFFFAOYSA-N -1 3 296.323 1.226 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@@H]2CCc3[nH]cnc3C2)c1 ZINC000378321092 371917847 /nfs/dbraw/zinc/91/78/47/371917847.db2.gz ZVFOUDBUTIHQRS-SECBINFHSA-N -1 3 287.319 1.411 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@@H]2CCc3nc[nH]c3C2)c1 ZINC000378321092 371917852 /nfs/dbraw/zinc/91/78/52/371917852.db2.gz ZVFOUDBUTIHQRS-SECBINFHSA-N -1 3 287.319 1.411 10 0 CDAEHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccccc2N)s1 ZINC000342493180 371971359 /nfs/dbraw/zinc/97/13/59/371971359.db2.gz SBRMCVLAVSSCRS-ZETCQYMHSA-N -1 3 298.393 1.468 10 0 CDAEHM O=C(/C=C/c1cncc([O-])c1)N1CCC[C@H]1c1ncc[nH]1 ZINC000378606818 372022339 /nfs/dbraw/zinc/02/23/39/372022339.db2.gz JMTSXXHOTYDWRY-OOPCZODUSA-N -1 3 284.319 1.887 10 0 CDAEHM O=C(NCc1ccc(-n2ccnc2)nc1)c1cccc([O-])c1 ZINC000378560222 372006808 /nfs/dbraw/zinc/00/68/08/372006808.db2.gz FGDSUGUZCGCLKW-UHFFFAOYSA-N -1 3 294.314 1.903 10 0 CDAEHM 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295.368 1.004 10 0 CDAEHM Cc1cccc(C(=O)NC[C@H]2CN(C3CC3)CCO2)c1[O-] ZINC000127149340 375045429 /nfs/dbraw/zinc/04/54/29/375045429.db2.gz WLLUCLCYFHAOQF-ZDUSSCGKSA-N -1 3 290.363 1.294 10 0 CDAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1C[C@H]1C ZINC000226473798 375347662 /nfs/dbraw/zinc/34/76/62/375347662.db2.gz WSEVGQWLCPESLG-HTRCEHHLSA-N -1 3 289.378 1.530 10 0 CDAEHM COc1ccc(C(=O)N2CC[C@H](C)[C@@H](OC)C2)c([O-])c1 ZINC000188098943 375508759 /nfs/dbraw/zinc/50/87/59/375508759.db2.gz BVMHSULXMCPXOL-HZMBPMFUSA-N -1 3 279.336 1.898 10 0 CDAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C3(O)CCC3)cc2)n1 ZINC000133382320 375562098 /nfs/dbraw/zinc/56/20/98/375562098.db2.gz LXSQROBXVHBKJV-UHFFFAOYSA-N -1 3 299.330 1.599 10 0 CDAEHM Cc1cccc(C(=O)NCC2CCC(O)CC2)c1[O-] ZINC000227588942 375572794 /nfs/dbraw/zinc/57/27/94/375572794.db2.gz ZNGAUTWBAZUMPJ-UHFFFAOYSA-N -1 3 263.337 1.982 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(N(C)C(C)=O)cc2)[n-]1 ZINC000426938488 247078433 /nfs/dbraw/zinc/07/84/33/247078433.db2.gz ZMCSRMKCIJBRND-UHFFFAOYSA-N -1 3 289.295 1.048 10 0 CDAEHM COc1nc(NC(=O)c2ccc(N(C)C(C)=O)cc2)n[n-]1 ZINC000426938488 247078436 /nfs/dbraw/zinc/07/84/36/247078436.db2.gz ZMCSRMKCIJBRND-UHFFFAOYSA-N -1 3 289.295 1.048 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(N(C)C(C)=O)cc2)n1 ZINC000426938488 247078440 /nfs/dbraw/zinc/07/84/40/247078440.db2.gz ZMCSRMKCIJBRND-UHFFFAOYSA-N -1 3 289.295 1.048 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000140432284 375845713 /nfs/dbraw/zinc/84/57/13/375845713.db2.gz MTGAHMQMDRKEFM-MLGOLLRUSA-N -1 3 291.395 1.872 10 0 CDAEHM Cc1cccc([O-])c1C(=O)NCC(C)(C)[C@]1(O)CCOC1 ZINC000627923288 375861566 /nfs/dbraw/zinc/86/15/66/375861566.db2.gz XZTGNBWORKQSEB-INIZCTEOSA-N -1 3 293.363 1.608 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H]2CCCS2)c1 ZINC000330939023 376353090 /nfs/dbraw/zinc/35/30/90/376353090.db2.gz WCVJXYXLYWJXAY-VIFPVBQESA-N -1 3 275.399 1.077 10 0 CDAEHM CC(C)N1CCN(CCCSc2n[nH]c(=O)[n-]2)CC1 ZINC000331328930 376859063 /nfs/dbraw/zinc/85/90/63/376859063.db2.gz REQDEDXCEWLGQA-UHFFFAOYSA-N -1 3 285.417 1.019 10 0 CDAEHM CC[C@@H](CNC(=O)C[C@@H](N)c1ccccc1)C(=O)[O-] ZINC000087513812 1172503030 /nfs/dbraw/zinc/50/30/30/1172503030.db2.gz TVXZIEKTRKLPEO-CMPLNLGQSA-N -1 3 264.325 1.304 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000182602444 296253172 /nfs/dbraw/zinc/25/31/72/296253172.db2.gz DGNDXFRCWQDEAT-STQMWFEESA-N -1 3 274.320 1.275 10 0 CDAEHM C[C@@H]1C[C@@H](c2nc(-c3cc(=O)[n-]cn3)no2)[C@H](C)O1 ZINC000632165814 377081108 /nfs/dbraw/zinc/08/11/08/377081108.db2.gz RSZJDAZJBKVNPK-GJMOJQLCSA-N -1 3 262.269 1.513 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)N1CC2(C1)CCCOC2 ZINC000334682298 377176838 /nfs/dbraw/zinc/17/68/38/377176838.db2.gz ZMQWFSZHLZHUKE-UHFFFAOYSA-N -1 3 279.311 1.713 10 0 CDAEHM CCc1cccc(F)c1CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000334685280 377184655 /nfs/dbraw/zinc/18/46/55/377184655.db2.gz WQBMHVQSBMZZGG-CYBMUJFWSA-N -1 3 291.326 1.124 10 0 CDAEHM O=c1[nH]cc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CC2)s1 ZINC000632426988 377435570 /nfs/dbraw/zinc/43/55/70/377435570.db2.gz SBTRZHVOIHUQJA-YUMQZZPRSA-N -1 3 274.367 1.173 10 0 CDAEHM C[C@H](C[N-]S(=O)(=O)c1c[nH]c(=O)s1)CC(F)F ZINC000632497206 377532914 /nfs/dbraw/zinc/53/29/14/377532914.db2.gz ARBOVPKTFZIGGI-YFKPBYRVSA-N -1 3 286.325 1.418 10 0 CDAEHM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]CC(C)(C)F ZINC000632608689 377666614 /nfs/dbraw/zinc/66/66/14/377666614.db2.gz AWJINVZGLHNHRP-UHFFFAOYSA-N -1 3 291.392 1.571 10 0 CDAEHM O=C(c1cccc(O)c1)N1CCc2c(=O)[n-]cnc2C1 ZINC000572078455 377691309 /nfs/dbraw/zinc/69/13/09/377691309.db2.gz ZGWRIYZEWBJLPW-UHFFFAOYSA-N -1 3 271.276 1.086 10 0 CDAEHM COCC[C@@H](COC)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436815928 249463423 /nfs/dbraw/zinc/46/34/23/249463423.db2.gz QIZCESKGZUKXDX-LBPRGKRZSA-N -1 3 281.352 1.790 10 0 CDAEHM C[C@@H](C(=O)Nc1ccncc1[O-])C1CCOCC1 ZINC000131598511 377688038 /nfs/dbraw/zinc/68/80/38/377688038.db2.gz FYIRRSPBRMVPFW-SECBINFHSA-N -1 3 250.298 1.788 10 0 CDAEHM CC(C)CN(CCC(=O)[O-])C[C@@H](O)C(F)(F)F ZINC000572127746 377724913 /nfs/dbraw/zinc/72/49/13/377724913.db2.gz RGCKSVHMYZQZEU-MRVPVSSYSA-N -1 3 257.252 1.342 10 0 CDAEHM CCO[C@H]1C[C@](NCc2cncnc2)(C(=O)[O-])C1(C)C ZINC000417588698 378076838 /nfs/dbraw/zinc/07/68/38/378076838.db2.gz PHAMVNLSMZUWQJ-FZMZJTMJSA-N -1 3 279.340 1.225 10 0 CDAEHM Cc1cc(NC(=O)CCc2nnn[n-]2)ccc1CN(C)C ZINC000633407052 378409126 /nfs/dbraw/zinc/40/91/26/378409126.db2.gz ISODCPCKXUZCMD-UHFFFAOYSA-N -1 3 288.355 1.141 10 0 CDAEHM CCn1c(C)cc(C(=O)NCc2cc(=O)[n-]c(=O)[nH]2)c1C ZINC000633522636 378514452 /nfs/dbraw/zinc/51/44/52/378514452.db2.gz XYSPPAHKTGKMJT-UHFFFAOYSA-N -1 3 290.323 1.256 10 0 CDAEHM O=C(NCc1ncccc1[O-])N[C@@H]1CCCn2nccc21 ZINC000633600053 378578374 /nfs/dbraw/zinc/57/83/74/378578374.db2.gz RHVJPGTUYGOVQF-SNVBAGLBSA-N -1 3 287.323 1.318 10 0 CDAEHM CCOC(=O)c1ccc(NC(=O)[C@@](C)(CC)CO)c([O-])c1 ZINC000580344495 378615723 /nfs/dbraw/zinc/61/57/23/378615723.db2.gz NPYSUMSSCUCMFD-HNNXBMFYSA-N -1 3 295.335 1.916 10 0 CDAEHM CC(C)[C@H]([N-]S(=O)(=O)c1ccn(C)n1)C1CC1 ZINC000660043198 412892775 /nfs/dbraw/zinc/89/27/75/412892775.db2.gz GJICCGTYPCJWIE-NSHDSACASA-N -1 3 257.359 1.133 10 0 CDAEHM COC1CCC(C[N-]S(=O)(=O)c2ccco2)CC1 ZINC000445713306 250226635 /nfs/dbraw/zinc/22/66/35/250226635.db2.gz CKDZMDRBSHBZOW-UHFFFAOYSA-N -1 3 273.354 1.763 10 0 CDAEHM Cc1cc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)ccn1 ZINC000447566334 250387906 /nfs/dbraw/zinc/38/79/06/250387906.db2.gz SFCJWJSDYONZQN-UHFFFAOYSA-N -1 3 294.318 1.746 10 0 CDAEHM Cc1cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)ccn1 ZINC000447566334 250387909 /nfs/dbraw/zinc/38/79/09/250387909.db2.gz SFCJWJSDYONZQN-UHFFFAOYSA-N -1 3 294.318 1.746 10 0 CDAEHM Cc1cc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)nc(C)n1 ZINC000662212902 412936613 /nfs/dbraw/zinc/93/66/13/412936613.db2.gz RESUSRDLVAXHTI-ZANVPECISA-N -1 3 263.341 1.636 10 0 CDAEHM CCN1CCC[C@@H]1CN=c1[n-]nc(COC)s1 ZINC000450218115 251178862 /nfs/dbraw/zinc/17/88/62/251178862.db2.gz SLJIPYUPOJBAEA-SECBINFHSA-N -1 3 256.375 1.003 10 0 CDAEHM COc1nc(NC(=O)CCCc2ncc(C)o2)n[n-]1 ZINC000450548272 251333159 /nfs/dbraw/zinc/33/31/59/251333159.db2.gz RCESPVCRUMKIRQ-UHFFFAOYSA-N -1 3 265.273 1.071 10 0 CDAEHM COc1nnc(NC(=O)CCCc2ncc(C)o2)[n-]1 ZINC000450548272 251333162 /nfs/dbraw/zinc/33/31/62/251333162.db2.gz RCESPVCRUMKIRQ-UHFFFAOYSA-N -1 3 265.273 1.071 10 0 CDAEHM COc1n[n-]c(NC(=O)CCCc2ncc(C)o2)n1 ZINC000450548272 251333166 /nfs/dbraw/zinc/33/31/66/251333166.db2.gz RCESPVCRUMKIRQ-UHFFFAOYSA-N -1 3 265.273 1.071 10 0 CDAEHM CCc1cc(=O)[n-]c(CSCCN2CCCC2=O)n1 ZINC000289406496 197331693 /nfs/dbraw/zinc/33/16/93/197331693.db2.gz NYYIINWBMZTLJS-UHFFFAOYSA-N -1 3 281.381 1.600 10 0 CDAEHM COC(=O)c1ccc(C[S@](=O)c2cccc([O-])c2)nc1 ZINC000505802529 254094586 /nfs/dbraw/zinc/09/45/86/254094586.db2.gz NSVAUCFKXITHLQ-FQEVSTJZSA-N -1 3 291.328 1.882 10 0 CDAEHM Cc1nc(Cl)ccc1CC(=O)[N-]OCC(C)(C)O ZINC000288185224 197021739 /nfs/dbraw/zinc/02/17/39/197021739.db2.gz RKWFDWWABSPVET-UHFFFAOYSA-N -1 3 272.732 1.405 10 0 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1.469 10 0 CDAEHM CCN1CCC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000049227686 521621583 /nfs/dbraw/zinc/62/15/83/521621583.db2.gz ARKSCONXUCURCD-CYBMUJFWSA-N -1 3 291.351 1.991 10 0 CDAEHM CCN1CCC[C@H](NC(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC000049227705 521645094 /nfs/dbraw/zinc/64/50/94/521645094.db2.gz HICPYDLMEIRKLI-LBPRGKRZSA-N -1 3 297.399 1.557 10 0 CDAEHM CCN1CCC[C@H](NC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1 ZINC000049227613 521646257 /nfs/dbraw/zinc/64/62/57/521646257.db2.gz CYUBJTWQQLKORD-RYUDHWBXSA-N -1 3 285.388 1.269 10 0 CDAEHM CCN=c1[n-]c(C(=O)N[C@@H](C)c2cn[nH]c2)cs1 ZINC000339966198 521731188 /nfs/dbraw/zinc/73/11/88/521731188.db2.gz PZCJHOVTNMZJBZ-ZETCQYMHSA-N -1 3 265.342 1.211 10 0 CDAEHM CN(C)C[C@@H]1CCCN1c1ncc(C(=O)[O-])s1 ZINC000061655528 521846226 /nfs/dbraw/zinc/84/62/26/521846226.db2.gz HCGIKXJQEZYJKT-QMMMGPOBSA-N -1 3 255.343 1.372 10 0 CDAEHM COCC[C@H](N)C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000052809433 521939695 /nfs/dbraw/zinc/93/96/95/521939695.db2.gz 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/nfs/dbraw/zinc/72/71/83/848727183.db2.gz TZYOUWQIYCRIBN-UHFFFAOYSA-N -1 3 282.250 1.663 10 0 CDAEHM Cc1nc(C)c(CC(=O)NC[C@H]2CCC[C@@H](C)O2)c(=O)[n-]1 ZINC000855791740 848729488 /nfs/dbraw/zinc/72/94/88/848729488.db2.gz AMSLXGXRFJEVQO-BXKDBHETSA-N -1 3 293.367 1.415 10 0 CDAEHM CCN(Cc1cc(=O)n2nc(N)[n-]c2n1)c1ccc(C)cc1 ZINC000856728742 848761365 /nfs/dbraw/zinc/76/13/65/848761365.db2.gz FTAXFYCIZXDAAC-UHFFFAOYSA-N -1 3 298.350 1.335 10 0 CDAEHM COc1ccccc1CO[N-]C(=O)CC1CSC1 ZINC000868042294 848772568 /nfs/dbraw/zinc/77/25/68/848772568.db2.gz NWSZHPBPOSGOTL-UHFFFAOYSA-N -1 3 267.350 1.996 10 0 CDAEHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CSC(=O)N1 ZINC000179650494 849167147 /nfs/dbraw/zinc/16/71/47/849167147.db2.gz ARNRDYFVDKWUAW-SSDOTTSWSA-N -1 3 256.258 1.295 10 0 CDAEHM O=C(NCC[C@H]1CCSC1)c1cc(=O)[n-]cn1 ZINC000869592773 849174330 /nfs/dbraw/zinc/17/43/30/849174330.db2.gz QFHPQINVYPIVBX-QMMMGPOBSA-N -1 3 253.327 1.055 10 0 CDAEHM O=C(N=S1(=O)CCCC1)c1c[n-]nc1[C@@H]1CCCO1 ZINC000925940158 849252437 /nfs/dbraw/zinc/25/24/37/849252437.db2.gz LSHIZVAZFYVYHI-JTQLQIEISA-N -1 3 283.353 1.663 10 0 CDAEHM CCC(F)(F)C(=O)[N-][C@@H](C(=O)OC)c1cccc(O)c1 ZINC000831355017 849344345 /nfs/dbraw/zinc/34/43/45/849344345.db2.gz GXZKMAYFKDNBDO-SNVBAGLBSA-N -1 3 287.262 1.768 10 0 CDAEHM [O-]c1cccnc1CNCc1cnc(C2OCCO2)s1 ZINC000809657821 849354862 /nfs/dbraw/zinc/35/48/62/849354862.db2.gz SKZOZQQXRRZUJB-UHFFFAOYSA-N -1 3 293.348 1.579 10 0 CDAEHM O=C(C[C@@H](O)Cc1ccccc1)[N-]OCc1cccnc1 ZINC000813494099 849419492 /nfs/dbraw/zinc/41/94/92/849419492.db2.gz XBVCHARVGIFHDR-HNNXBMFYSA-N -1 3 286.331 1.623 10 0 CDAEHM CC(C)(C)OC(=O)N1CC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000201514831 849506787 /nfs/dbraw/zinc/50/67/87/849506787.db2.gz NJJMQOYFEAYAOY-QMMMGPOBSA-N -1 3 296.289 1.922 10 0 CDAEHM O=C(NCc1ncccc1[O-])NC[C@H]1CSCCS1 ZINC000792127343 849508938 /nfs/dbraw/zinc/50/89/38/849508938.db2.gz ROABCQPOEJSANB-VIFPVBQESA-N -1 3 299.421 1.435 10 0 CDAEHM CO[C@@H]1COCC[C@@H]1CC(=O)[N-]OCC1CCC1 ZINC000856351222 849652234 /nfs/dbraw/zinc/65/22/34/849652234.db2.gz DBIYLFNKVVHDFQ-VXGBXAGGSA-N -1 3 257.330 1.276 10 0 CDAEHM Cn1ncc2c1nc(SCCC1OCCCO1)[n-]c2=O ZINC000863363603 849660843 /nfs/dbraw/zinc/66/08/43/849660843.db2.gz VCWRWSHQTRSWTP-UHFFFAOYSA-N -1 3 296.352 1.314 10 0 CDAEHM O=C(c1nnc2ccccc2c1[O-])N1CC[C@@H]2COC[C@H]2C1 ZINC000856149962 849698787 /nfs/dbraw/zinc/69/87/87/849698787.db2.gz JGIYSUZNKYMSRO-GHMZBOCLSA-N -1 3 299.330 1.444 10 0 CDAEHM CC[C@@H](C[C@@H](C)O)NC(=O)c1ccc(C)cc1[O-] ZINC000716881417 849742299 /nfs/dbraw/zinc/74/22/99/849742299.db2.gz VQPBVMARQOENFD-MNOVXSKESA-N -1 3 251.326 1.980 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@]1(C)CC=CCC1 ZINC000867389092 849871095 /nfs/dbraw/zinc/87/10/95/849871095.db2.gz IOINOCZQKSMWFG-HWPZZCPQSA-N -1 3 280.415 1.437 10 0 CDAEHM Cc1nc2c(c(=O)[n-]1)CN(C[C@H]1CCC3(CCC3)O1)C2 ZINC000931312483 849965585 /nfs/dbraw/zinc/96/55/85/849965585.db2.gz UKGKWGZJVOVLSJ-LLVKDONJSA-N -1 3 275.352 1.908 10 0 CDAEHM O=C(c1cc([O-])ccc1Cl)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000863756829 850255941 /nfs/dbraw/zinc/25/59/41/850255941.db2.gz KIEOCYQBUCDELU-GMSGAONNSA-N -1 3 281.695 1.291 10 0 CDAEHM Cc1cc(CN[C@@H]2C[C@@H](C)O[C@H]2C)oc1C(=O)[O-] ZINC000384733632 850300284 /nfs/dbraw/zinc/30/02/84/850300284.db2.gz KEPDMGCSPJSQSP-WCABBAIRSA-N -1 3 253.298 1.942 10 0 CDAEHM COc1cccc([O-])c1C(=O)N1CCC[C@@H](C(C)=O)C1 ZINC000707782482 850357248 /nfs/dbraw/zinc/35/72/48/850357248.db2.gz BTYZERKLJXNIFA-LLVKDONJSA-N -1 3 277.320 1.842 10 0 CDAEHM CC(C)C1(S(=O)(=O)[N-][C@@H]2C(=O)OCC2(C)C)CC1 ZINC000867380188 850361335 /nfs/dbraw/zinc/36/13/35/850361335.db2.gz DQJMSSOQFWQTHV-SECBINFHSA-N -1 3 275.370 1.046 10 0 CDAEHM C[C@]1(CNCc2cccc(C(=O)[O-])n2)CCCO1 ZINC000235728386 850447289 /nfs/dbraw/zinc/44/72/89/850447289.db2.gz YMAKKVQCXAUWEA-CYBMUJFWSA-N -1 3 250.298 1.439 10 0 CDAEHM CCn1cc(CN2CC[C@](C(=O)[O-])(C(C)C)C2)nn1 ZINC000714438748 907026873 /nfs/dbraw/zinc/02/68/73/907026873.db2.gz WCVVROQBUQPBHV-CYBMUJFWSA-N -1 3 266.345 1.231 10 0 CDAEHM CO[C@H]1C[C@H](NCc2cccc(C(=O)[O-])n2)C12CCC2 ZINC000712867797 909590598 /nfs/dbraw/zinc/59/05/98/909590598.db2.gz HVUWDRUMZYQRRT-STQMWFEESA-N -1 3 276.336 1.827 10 0 CDAEHM O=C(N[C@H]1CCC2(C1)OCCO2)c1ccccc1[O-] ZINC001137864235 936423465 /nfs/dbraw/zinc/42/34/65/936423465.db2.gz OFMJDZHJUYNEAE-JTQLQIEISA-N -1 3 263.293 1.418 10 0 CDAEHM CCCCC[C@H](O)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001138329493 936519667 /nfs/dbraw/zinc/51/96/67/936519667.db2.gz WSTYBCXMJCBFID-LBPRGKRZSA-N -1 3 279.340 1.008 10 0 CDAEHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)C=C1CCC1 ZINC001128099314 919873505 /nfs/dbraw/zinc/87/35/05/919873505.db2.gz AZVLZDHNLSRIAM-UHFFFAOYSA-N -1 3 292.291 1.637 10 0 CDAEHM CC1(C)C[C@H](NCc2cccc(C(=O)[O-])n2)CO1 ZINC000396596735 936701185 /nfs/dbraw/zinc/70/11/85/936701185.db2.gz SJZAFIDYWVAEGR-JTQLQIEISA-N -1 3 250.298 1.437 10 0 CDAEHM C=C=CC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001191935022 922822345 /nfs/dbraw/zinc/82/23/45/922822345.db2.gz GSGBZNREDOAJND-UHFFFAOYSA-N -1 3 263.240 1.723 10 0 CDAEHM CC(C)OCCO[N-]C(=O)Cc1ccnc(F)c1 ZINC001141349947 936854441 /nfs/dbraw/zinc/85/44/41/936854441.db2.gz NCPDKYYTJPVONO-UHFFFAOYSA-N -1 3 256.277 1.236 10 0 CDAEHM C[C@@H]1CC([N-]S(=O)(=O)c2cccnc2F)C[C@@H](C)O1 ZINC000694753872 937260738 /nfs/dbraw/zinc/26/07/38/937260738.db2.gz YBKODNYJXGZZHD-RKDXNWHRSA-N -1 3 288.344 1.455 10 0 CDAEHM O=C([N-]O[C@H]1CCCCO1)[C@@H]1CCc2[nH]cnc2C1 ZINC000825027087 931489208 /nfs/dbraw/zinc/48/92/08/931489208.db2.gz UJGOLKKGLXRMKO-SKDRFNHKSA-N -1 3 265.313 1.089 10 0 CDAEHM O=C([N-]O[C@H]1CCCCO1)[C@@H]1CCc2nc[nH]c2C1 ZINC000825027087 931489211 /nfs/dbraw/zinc/48/92/11/931489211.db2.gz UJGOLKKGLXRMKO-SKDRFNHKSA-N -1 3 265.313 1.089 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1cccc(F)c1 ZINC001144519352 931871298 /nfs/dbraw/zinc/87/12/98/931871298.db2.gz LNTBLICZQASBAK-UHFFFAOYSA-N -1 3 279.296 1.540 10 0 CDAEHM CCO[C@@H](C(=O)NCCc1c(C)[n-][nH]c1=O)C1CCCC1 ZINC001411774560 932011603 /nfs/dbraw/zinc/01/16/03/932011603.db2.gz JNBVYSQSGSOYEN-QWHCGFSZSA-N -1 3 295.383 1.210 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)c2onc3c2CCCC3)n1 ZINC001412296557 932363461 /nfs/dbraw/zinc/36/34/61/932363461.db2.gz DWPYLYDFLOXLIR-UHFFFAOYSA-N -1 3 288.307 1.287 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1CCC(C2CC2)CC1 ZINC001412527069 932468356 /nfs/dbraw/zinc/46/83/56/932468356.db2.gz NJALPZGSNSPOAI-JXQTWKCFSA-N -1 3 291.395 1.831 10 0 CDAEHM C[C@H](NC(=O)c1nccs1)c1nc(C(F)(F)F)n[n-]1 ZINC001412707919 932654214 /nfs/dbraw/zinc/65/42/14/932654214.db2.gz RBOZFPNHWPBRBI-BYPYZUCNSA-N -1 3 291.258 1.771 10 0 CDAEHM O=C([O-])C1=CC[C@@H](NCc2ccncc2Cl)C1 ZINC001119536182 937729396 /nfs/dbraw/zinc/72/93/96/937729396.db2.gz GXFVPQFYWXIJSM-SNVBAGLBSA-N -1 3 252.701 1.998 10 0 CDAEHM CO[C@H]1CC[C@H](C)N(Cc2ccoc2C(=O)[O-])C1 ZINC000687194669 934252375 /nfs/dbraw/zinc/25/23/75/934252375.db2.gz GQGBJKUTPUAKAC-ONGXEEELSA-N -1 3 253.298 1.977 10 0 CDAEHM O=C(NCCCc1c[n-][nH]c1=O)Nc1ccc2cc[nH]c2c1 ZINC001119817729 937757627 /nfs/dbraw/zinc/75/76/27/937757627.db2.gz WPUDDXNTZHAZIL-NSHDSACASA-N -1 3 299.334 1.801 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCC[C@@H](C)O)c1 ZINC001123864799 936235977 /nfs/dbraw/zinc/23/59/77/936235977.db2.gz MYJXAOVLUNZPGZ-SNVBAGLBSA-N -1 3 292.335 1.408 10 0 CDAEHM COC(=O)Cc1nc(NC(=O)[C@H](C)[C@H](C)C(C)(C)C)n[n-]1 ZINC001362008797 970768589 /nfs/dbraw/zinc/76/85/89/970768589.db2.gz UCLDLOSLSOUMBF-BDAKNGLRSA-N -1 3 296.371 1.777 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1CCCS1)c1cccnc1F ZINC000401947898 940885484 /nfs/dbraw/zinc/88/54/84/940885484.db2.gz KEHOEXVXFUBPHC-QMMMGPOBSA-N -1 3 276.358 1.395 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](C)c1cccc(O)c1 ZINC001362056484 970828054 /nfs/dbraw/zinc/82/80/54/970828054.db2.gz OPKIFNIYWOFVCQ-TVQRCGJNSA-N -1 3 289.335 1.124 10 0 CDAEHM C/C=C(/C)C(=O)NC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001284217697 943117753 /nfs/dbraw/zinc/11/77/53/943117753.db2.gz DOGGVCXCAOHTAC-NEOSZVFXSA-N -1 3 276.336 1.593 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(C)(C)C(F)(F)F ZINC001362244875 971064381 /nfs/dbraw/zinc/06/43/81/971064381.db2.gz JMAAFFPPBYNYFV-SSDOTTSWSA-N -1 3 279.262 1.203 10 0 CDAEHM O=C(Nc1cccc2c1OCC[C@@H]2O)c1cc(=O)[n-]cn1 ZINC001362506509 971351429 /nfs/dbraw/zinc/35/14/29/971351429.db2.gz USIJSKBYZWINMP-NSHDSACASA-N -1 3 287.275 1.250 10 0 CDAEHM Cc1cc(C(=O)[O-])oc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC001650026254 1169625478 /nfs/dbraw/zinc/62/54/78/1169625478.db2.gz MBLRGUIHUNIPBN-NSHDSACASA-N -1 3 292.335 1.597 10 0 CDAEHM COC(=O)[C@@H](F)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC001363573818 953477908 /nfs/dbraw/zinc/47/79/08/953477908.db2.gz CIKXUOSSRAFMID-LBPRGKRZSA-N -1 3 291.278 1.786 10 0 CDAEHM CC(C)CCCC(=O)NCC=CCNC(=O)c1cn[n-]n1 ZINC001285585273 953533155 /nfs/dbraw/zinc/53/31/55/953533155.db2.gz FYROUYOWEGHNRE-ONEGZZNKSA-N -1 3 293.371 1.033 10 0 CDAEHM CCOc1nnc(NC(=O)c2cccnc2NC(C)C)[n-]1 ZINC001363191177 971958225 /nfs/dbraw/zinc/95/82/25/971958225.db2.gz NFKYRLRNSRCECC-UHFFFAOYSA-N -1 3 290.327 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/nfs/dbraw/zinc/26/82/09/346268209.db2.gz CLYVUORSMCXAKK-XPTSAGLGSA-N -1 3 263.293 1.206 10 0 CDAEHM CCCC[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000085324584 179018100 /nfs/dbraw/zinc/01/81/00/179018100.db2.gz QOKSWNCTBSUIOE-DCAQKATOSA-N -1 3 256.346 1.264 10 0 CDAEHM CCC[C@H](C)C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000571623870 362708251 /nfs/dbraw/zinc/70/82/51/362708251.db2.gz PBEZXSVPBIQTAF-VHSXEESVSA-N -1 3 265.361 1.327 10 0 CDAEHM C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@@H]1O ZINC000351945561 362699268 /nfs/dbraw/zinc/69/92/68/362699268.db2.gz RKKJLCYLFNQERX-ONGXEEELSA-N -1 3 299.330 1.894 10 0 CDAEHM C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H]1O ZINC000351945558 362699582 /nfs/dbraw/zinc/69/95/82/362699582.db2.gz RKKJLCYLFNQERX-GXSJLCMTSA-N -1 3 299.330 1.894 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)[C@@H](C)C1CCOCC1 ZINC000584728035 346420729 /nfs/dbraw/zinc/42/07/29/346420729.db2.gz AMAHJPCIOYSEKQ-QMMMGPOBSA-N -1 3 281.312 1.198 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)[C@@H](C)C1CCOCC1 ZINC000584728035 346420730 /nfs/dbraw/zinc/42/07/30/346420730.db2.gz AMAHJPCIOYSEKQ-QMMMGPOBSA-N -1 3 281.312 1.198 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl ZINC000085810797 179177445 /nfs/dbraw/zinc/17/74/45/179177445.db2.gz DNPILNBJVDMYLI-SSDOTTSWSA-N -1 3 277.107 1.734 10 0 CDAEHM N[C@H](CCC(=O)[O-])C(=O)N[C@@H]1CCCc2ccccc21 ZINC000085819069 179182280 /nfs/dbraw/zinc/18/22/80/179182280.db2.gz BAMQTKPLTMPMAK-CHWSQXEVSA-N -1 3 276.336 1.372 10 0 CDAEHM Cc1nc2cc(NC(=O)[C@H](N)CCC(=O)[O-])ccc2[nH]1 ZINC000085819717 179183026 /nfs/dbraw/zinc/18/30/26/179183026.db2.gz GRXGMUAKUSRRIB-SECBINFHSA-N -1 3 276.296 1.002 10 0 CDAEHM Cc1nc2ccc(NC(=O)[C@H](N)CCC(=O)[O-])cc2[nH]1 ZINC000085819717 179183028 /nfs/dbraw/zinc/18/30/28/179183028.db2.gz GRXGMUAKUSRRIB-SECBINFHSA-N -1 3 276.296 1.002 10 0 CDAEHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@H](N)CCC(=O)[O-] ZINC000085838643 179183750 /nfs/dbraw/zinc/18/37/50/179183750.db2.gz WTGQZMTUZLJKAV-JOYOIKCWSA-N 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ZINC000623662351 349394769 /nfs/dbraw/zinc/39/47/69/349394769.db2.gz XFYOGDSQQUSDDO-KYZUINATSA-N -1 3 299.168 1.508 10 0 CDAEHM CCC(CC)[C@@H](C(=O)OC(C)(C)C)[C@@H](N)C(=O)[O-] ZINC000091365411 180142683 /nfs/dbraw/zinc/14/26/83/180142683.db2.gz BPSMRXSHZMZFOS-NXEZZACHSA-N -1 3 259.346 1.792 10 0 CDAEHM COC(=O)[C@H](C)CN(C)Cc1nc(C)ccc1[O-] ZINC000091985398 180298828 /nfs/dbraw/zinc/29/88/28/180298828.db2.gz XXHSFUIIIJCWNG-SECBINFHSA-N -1 3 252.314 1.337 10 0 CDAEHM O=C(N[C@H]1CCCC[C@H]1O)c1c([O-])cccc1O ZINC000092125467 180328710 /nfs/dbraw/zinc/32/87/10/180328710.db2.gz QVEPXFZVTVGKIK-DTWKUNHWSA-N -1 3 251.282 1.131 10 0 CDAEHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000632629714 362957659 /nfs/dbraw/zinc/95/76/59/362957659.db2.gz ARMNMYUSXCCETC-KXUCPTDWSA-N -1 3 269.370 1.467 10 0 CDAEHM Cn1ncc(Cl)c1S(=O)(=O)[N-]CC[C@@H]1CC1(F)F ZINC000621304788 350533108 /nfs/dbraw/zinc/53/31/08/350533108.db2.gz HZMOFYYZBPIMBC-ZCFIWIBFSA-N -1 3 299.730 1.397 10 0 CDAEHM C[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(N)=O ZINC000621309495 350534872 /nfs/dbraw/zinc/53/48/72/350534872.db2.gz CECSEWQXLOQGNG-RXMQYKEDSA-N -1 3 276.214 1.015 10 0 CDAEHM COC(=O)[C@H]1CCCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000112282959 365984326 /nfs/dbraw/zinc/98/43/26/365984326.db2.gz UWSNNBIOMFHVAA-NSHDSACASA-N -1 3 277.320 1.726 10 0 CDAEHM C[N-]S(=O)(=O)c1cc(NCc2cnc(C)o2)ccc1F ZINC000628323152 362982979 /nfs/dbraw/zinc/98/29/79/362982979.db2.gz DEUZCYHRUQAMTL-UHFFFAOYSA-N -1 3 299.327 1.642 10 0 CDAEHM C[C@@H](O)CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621939988 350874775 /nfs/dbraw/zinc/87/47/75/350874775.db2.gz XVEUWABFAANWCN-ZCFIWIBFSA-N -1 3 263.215 1.522 10 0 CDAEHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC(CO)C1 ZINC000621951454 350885608 /nfs/dbraw/zinc/88/56/08/350885608.db2.gz YTPPFNRCGJDLMH-UHFFFAOYSA-N -1 3 275.226 1.475 10 0 CDAEHM COc1cc(=NC(=O)COCc2ccc(C)cc2)[n-]n1C ZINC000621958531 350891245 /nfs/dbraw/zinc/89/12/45/350891245.db2.gz NDDDHCBEUREOIE-UHFFFAOYSA-N -1 3 289.335 1.314 10 0 CDAEHM O=C(c1cc(F)c[n-]c1=O)N1CC[C@@H]1C(F)(F)F ZINC000622058894 350958773 /nfs/dbraw/zinc/95/87/73/350958773.db2.gz YNZAGYKVLUIPQY-SSDOTTSWSA-N -1 3 264.178 1.703 10 0 CDAEHM O=C(c1cc(F)c[n-]c1=O)N1CC(CC2CC2)C1 ZINC000622253137 351101840 /nfs/dbraw/zinc/10/18/40/351101840.db2.gz UJIGXAWAEYPXEP-UHFFFAOYSA-N -1 3 250.273 1.798 10 0 CDAEHM COc1cc(F)cc(-c2noc(=NC[C@H](C)N(C)C)[n-]2)c1 ZINC000623895463 351321607 /nfs/dbraw/zinc/32/16/07/351321607.db2.gz REDRNXFNXWVEEJ-VIFPVBQESA-N -1 3 294.330 1.668 10 0 CDAEHM Cc1nc(CC(C)C)c([N-]S(=O)(=O)N(C)C)s1 ZINC000122485156 187034383 /nfs/dbraw/zinc/03/43/83/187034383.db2.gz KNQIBXTUAFRYOA-UHFFFAOYSA-N -1 3 277.415 1.868 10 0 CDAEHM CCC(CC)(C[N-]S(=O)(=O)Cc1cc(C)on1)OC ZINC000292040212 198142267 /nfs/dbraw/zinc/14/22/67/198142267.db2.gz ZIHNNJSIZUCMGR-UHFFFAOYSA-N -1 3 290.385 1.608 10 0 CDAEHM CCOC(=O)c1ccc(NC(=O)C(C)(C)OC)c([O-])c1 ZINC000271645543 191257180 /nfs/dbraw/zinc/25/71/80/191257180.db2.gz YVKKCKDVRINAKR-UHFFFAOYSA-N -1 3 281.308 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QTGVHCYDGKAYTE-TVQRCGJNSA-N -1 3 264.325 1.626 10 0 CDAEHM COC(=O)[C@H](C)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000265466736 363324600 /nfs/dbraw/zinc/32/46/00/363324600.db2.gz ZROXOXBZJNTLHN-VIFPVBQESA-N -1 3 277.320 1.562 10 0 CDAEHM O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1cccc([O-])c1 ZINC000273020651 192021209 /nfs/dbraw/zinc/02/12/09/192021209.db2.gz RGZLNCSGQKXYBU-JTQLQIEISA-N -1 3 274.320 1.133 10 0 CDAEHM O=c1[n-]n(-c2cccc3c2CCCC3)c(=O)c2cnncc21 ZINC000634597329 356528976 /nfs/dbraw/zinc/52/89/76/356528976.db2.gz HIOAYKVSXBGUQR-UHFFFAOYSA-N -1 3 294.314 1.760 10 0 CDAEHM CCN1CCC(n2[n-]c(C[C@H]3CCCO3)cc2=O)CC1 ZINC000634602367 356555997 /nfs/dbraw/zinc/55/59/97/356555997.db2.gz OKYTYLKTYHUNOA-CQSZACIVSA-N -1 3 279.384 1.628 10 0 CDAEHM Cn1nccc1[C@@H](N)C[C@H](CC(=O)[O-])C(F)(F)F ZINC000725256875 538452247 /nfs/dbraw/zinc/45/22/47/538452247.db2.gz CEUNQRLJRIURNP-RQJHMYQMSA-N -1 3 265.235 1.463 10 0 CDAEHM CN(C)c1nc(C(=O)NC(C)(C)C2CCC2)cc(=O)[n-]1 ZINC000456147896 363543759 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369268566 /nfs/dbraw/zinc/26/85/66/369268566.db2.gz OKFGWAUKCZWDHJ-UHFFFAOYSA-N -1 3 298.277 1.786 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)Cc2ccccc2)nc1=N ZINC000564294748 369263221 /nfs/dbraw/zinc/26/32/21/369263221.db2.gz JAVRJKLJAITFIR-LBPRGKRZSA-N -1 3 285.351 1.134 10 0 CDAEHM CC[C@H](CS(=O)(=O)[N-][C@H](CC)c1nccs1)OC ZINC000420671207 244321290 /nfs/dbraw/zinc/32/12/90/244321290.db2.gz ISYHKEGVHSURNP-NXEZZACHSA-N -1 3 292.426 1.939 10 0 CDAEHM CCCc1ncc(C[N-]S(=O)(=O)C[C@@H](CC)OC)o1 ZINC000420756950 244362042 /nfs/dbraw/zinc/36/20/42/244362042.db2.gz URHKUVHOEYEZOE-SNVBAGLBSA-N -1 3 290.385 1.472 10 0 CDAEHM COC[C@@H]1CN(Cc2nc(C)ccc2[O-])C[C@H](C)O1 ZINC000276122278 193219015 /nfs/dbraw/zinc/21/90/15/193219015.db2.gz YLYBGHLQAUTZQB-RYUDHWBXSA-N -1 3 266.341 1.331 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)C[C@@H]2CCCS(=O)(=O)C2)n1 ZINC000294172777 370976618 /nfs/dbraw/zinc/97/66/18/370976618.db2.gz JFRSERWCXFXXJJ-JTQLQIEISA-N -1 3 298.364 1.249 10 0 CDAEHM CC(C)C[C@@]1(C(=O)Nc2ccccc2[O-])CCNC1=O ZINC000630795767 370017171 /nfs/dbraw/zinc/01/71/71/370017171.db2.gz GVFCPXMBLVFJNG-HNNXBMFYSA-N -1 3 276.336 1.883 10 0 CDAEHM CCC(C)(C)OCC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000564733424 370249500 /nfs/dbraw/zinc/24/95/00/370249500.db2.gz RNAGNSXIIYPVAW-JTQLQIEISA-N -1 3 295.387 1.096 10 0 CDAEHM O=C([N-]c1nncn1C1CC1)[C@H]1Cc2cccc(F)c2O1 ZINC000375908276 371025066 /nfs/dbraw/zinc/02/50/66/371025066.db2.gz APTIPCIDMCILLK-LLVKDONJSA-N -1 3 288.282 1.694 10 0 CDAEHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCOC1(C)C ZINC000295239857 371167836 /nfs/dbraw/zinc/16/78/36/371167836.db2.gz JGWHBNXNZVELCF-VIFPVBQESA-N -1 3 291.394 1.603 10 0 CDAEHM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000295403031 371259128 /nfs/dbraw/zinc/25/91/28/371259128.db2.gz VSOIXFSWPZJJDD-LLVKDONJSA-N -1 3 291.319 1.811 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)s1)[C@@H](O)C(F)F ZINC000295696411 371410014 /nfs/dbraw/zinc/41/00/14/371410014.db2.gz JQGOZKJCPIILGC-VXNVDRBHSA-N -1 3 299.364 1.739 10 0 CDAEHM CO[C@H]1COCC[C@H]1CC(=O)NCc1ccc([O-])c(F)c1 ZINC000295740613 371431590 /nfs/dbraw/zinc/43/15/90/371431590.db2.gz GEHTZHWKEOXXLC-FZMZJTMJSA-N -1 3 297.326 1.589 10 0 CDAEHM O=C(N[C@H]1CCC[C@H](CO)C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000573137193 371438828 /nfs/dbraw/zinc/43/88/28/371438828.db2.gz GLSUPRGBYXWVFX-ONGXEEELSA-N -1 3 291.351 1.341 10 0 CDAEHM CO[C@H]1C[C@H](CC(=O)[O-])N(CCc2ccccc2F)C1 ZINC000577760938 372113712 /nfs/dbraw/zinc/11/37/12/372113712.db2.gz XCFNXHVHDAIRIJ-OLZOCXBDSA-N -1 3 281.327 1.932 10 0 CDAEHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](O)C(C)C ZINC000645560040 372087734 /nfs/dbraw/zinc/08/77/34/372087734.db2.gz REJIKPVJWAUHAE-SNVBAGLBSA-N -1 3 291.344 1.130 10 0 CDAEHM COC(=O)c1ccc(I)c([O-])c1N ZINC000575639905 372296491 /nfs/dbraw/zinc/29/64/91/372296491.db2.gz JZBOCWNCLSTWJT-UHFFFAOYSA-N -1 3 293.060 1.366 10 0 CDAEHM CC[C@H](O)Cc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000351463169 372413215 /nfs/dbraw/zinc/41/32/15/372413215.db2.gz 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/nfs/dbraw/zinc/97/21/16/541972116.db2.gz KHEBYYOJJDZWHN-GXSJLCMTSA-N -1 3 287.323 1.154 10 0 CDAEHM C[C@H]1C[C@@H](C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)CO1 ZINC000527130114 541972120 /nfs/dbraw/zinc/97/21/20/541972120.db2.gz KHEBYYOJJDZWHN-GXSJLCMTSA-N -1 3 287.323 1.154 10 0 CDAEHM CCNC(=O)C1CN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000334268390 374684360 /nfs/dbraw/zinc/68/43/60/374684360.db2.gz BVZQTXPNBNWDSR-UHFFFAOYSA-N -1 3 282.727 1.254 10 0 CDAEHM O=C(CNC(=O)c1ccccn1)Nc1ccc([O-])cc1F ZINC000124256328 374774379 /nfs/dbraw/zinc/77/43/79/374774379.db2.gz WHHHHDKGLDYMRB-UHFFFAOYSA-N -1 3 289.266 1.295 10 0 CDAEHM CCCCCNC(=O)[C@@H](C)N(C)CCCC(=O)[O-] ZINC000042717568 374859801 /nfs/dbraw/zinc/85/98/01/374859801.db2.gz COYDPQJXTYFKKX-LLVKDONJSA-N -1 3 258.362 1.478 10 0 CDAEHM CCC(C)(C)NC(=O)[C@H](C)N(C)CCCC(=O)[O-] ZINC000042717618 374862431 /nfs/dbraw/zinc/86/24/31/374862431.db2.gz NBGQWINPGRJQPI-JTQLQIEISA-N -1 3 258.362 1.476 10 0 CDAEHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(F)c[nH]1 ZINC000334329722 374915614 /nfs/dbraw/zinc/91/56/14/374915614.db2.gz OAAUKENAIVSNSN-UHFFFAOYSA-N -1 3 297.311 1.778 10 0 CDAEHM CC(C)(C)C1CC([N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000334344982 374951293 /nfs/dbraw/zinc/95/12/93/374951293.db2.gz UAMCVJVKUBWFGL-UHFFFAOYSA-N -1 3 257.359 1.513 10 0 CDAEHM O=C(NC1CCC(OC(F)F)CC1)c1cc(=O)[n-]cn1 ZINC000627676581 375502434 /nfs/dbraw/zinc/50/24/34/375502434.db2.gz OROQKUAVUWCXOC-UHFFFAOYSA-N -1 3 287.266 1.462 10 0 CDAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1F ZINC000416583345 375653607 /nfs/dbraw/zinc/65/36/07/375653607.db2.gz BZYQYWRVNFJSQF-LNFKQOIKSA-N -1 3 265.350 1.364 10 0 CDAEHM CN(C)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000232294551 375850508 /nfs/dbraw/zinc/85/05/08/375850508.db2.gz VIRBPGJKYAKAKV-UHFFFAOYSA-N -1 3 297.149 1.343 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C[C@H]2CCCS2)c1 ZINC000330939022 376352640 /nfs/dbraw/zinc/35/26/40/376352640.db2.gz WCVJXYXLYWJXAY-SECBINFHSA-N -1 3 275.399 1.077 10 0 CDAEHM O=C(NCC1CSC1)Nc1ccc2c(c1)C(=O)[N-]C2=O 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/nfs/dbraw/zinc/78/70/61/316787061.db2.gz UHYKRLWMHZPJGX-VHSXEESVSA-N -1 3 261.343 1.355 10 0 CDAEHM C[C@H]1COCC[C@@H]1C(=O)N=c1cc2ccccn2[n-]1 ZINC000570032433 316896014 /nfs/dbraw/zinc/89/60/14/316896014.db2.gz WVPRRIIXTPMXGQ-JQWIXIFHSA-N -1 3 259.309 1.367 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-]CC[C@@H]2CCOC2)c1 ZINC000577934060 317432889 /nfs/dbraw/zinc/43/28/89/317432889.db2.gz BTZBCJRVGYJUOY-SNVBAGLBSA-N -1 3 275.395 1.761 10 0 CDAEHM C[C@H](C(=O)[O-])C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000579238719 324138054 /nfs/dbraw/zinc/13/80/54/324138054.db2.gz UTONSYVEKZDECN-MXWKQRLJSA-N -1 3 256.346 1.086 10 0 CDAEHM CCC[C@@H](C)[C@@H](CO)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000581256430 324695356 /nfs/dbraw/zinc/69/53/56/324695356.db2.gz AKGSRUGKJWECSL-ZWNOBZJWSA-N -1 3 283.343 1.987 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-][C@H](C)c2cscn2)s1 ZINC000582498505 324989272 /nfs/dbraw/zinc/98/92/72/324989272.db2.gz SJPFJNLXGMZRPZ-ZCFIWIBFSA-N -1 3 289.407 1.948 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N[C@@H](c1cccnc1)C1CC1 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C[C@H]1C[C@@H]1C(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000681119794 482709975 /nfs/dbraw/zinc/70/99/75/482709975.db2.gz DPSZQFHQAQOCFF-UWJYBYFXSA-N -1 3 287.319 1.032 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000296716052 482756411 /nfs/dbraw/zinc/75/64/11/482756411.db2.gz NIOIQZKQVGUQTI-MXWKQRLJSA-N -1 3 298.364 1.079 10 0 CDAEHM CC(C)(NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C(F)F ZINC000684538142 482872077 /nfs/dbraw/zinc/87/20/77/482872077.db2.gz HARZADFSAHNLFQ-UHFFFAOYSA-N -1 3 297.261 1.735 10 0 CDAEHM CO[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)C1CCC1 ZINC000667014576 483053103 /nfs/dbraw/zinc/05/31/03/483053103.db2.gz XVHWEIWNGZGZRE-ZCFIWIBFSA-N -1 3 278.234 1.577 10 0 CDAEHM CO[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)C1CCC1 ZINC000667014576 483053105 /nfs/dbraw/zinc/05/31/05/483053105.db2.gz XVHWEIWNGZGZRE-ZCFIWIBFSA-N -1 3 278.234 1.577 10 0 CDAEHM C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1c([O-])cc(F)cc1F ZINC000675148272 483233185 /nfs/dbraw/zinc/23/31/85/483233185.db2.gz IPCCPVOYWTVREH-QPUJVOFHSA-N -1 3 296.317 1.883 10 0 CDAEHM C[C@@H]1CCN(C(=O)c2c([O-])cccc2O)C[C@H]1F ZINC000679274540 483321929 /nfs/dbraw/zinc/32/19/29/483321929.db2.gz ITYKLWZSRWFEGL-RKDXNWHRSA-N -1 3 253.273 1.918 10 0 CDAEHM CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccccc1[O-] ZINC000211180997 483592987 /nfs/dbraw/zinc/59/29/87/483592987.db2.gz FHSCQKPJHFCMEM-GFCCVEGCSA-N -1 3 298.408 1.497 10 0 CDAEHM CC(C)C[C@H](NC(=O)N1CCC[C@@H]1CN(C)C)C(=O)[O-] ZINC000061653840 519385463 /nfs/dbraw/zinc/38/54/63/519385463.db2.gz LKQYEEAOXTUBFB-NEPJUHHUSA-N -1 3 285.388 1.221 10 0 CDAEHM CC(C)[C@H](CO)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000310916417 1186678533 /nfs/dbraw/zinc/67/85/33/1186678533.db2.gz RRBZYLZMLPLBOK-VIFPVBQESA-N -1 3 296.751 1.169 10 0 CDAEHM CC(C)C[C@H](NC(=O)N[C@H](C)CN1CCCCC1)C(=O)[O-] ZINC000049502741 519387932 /nfs/dbraw/zinc/38/79/32/519387932.db2.gz HMTLFTDTXJEXIR-OLZOCXBDSA-N -1 3 299.415 1.659 10 0 CDAEHM CC(C)[C@@H](CN(C)C)NC(=O)NCCCCCC(=O)[O-] ZINC000049230412 519793343 /nfs/dbraw/zinc/79/33/43/519793343.db2.gz HKDWSXNVUJXRLD-GFCCVEGCSA-N -1 3 287.404 1.517 10 0 CDAEHM CC(C)[C@@H](N)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000061564324 519796147 /nfs/dbraw/zinc/79/61/47/519796147.db2.gz XMUCXHWVQCNMCV-SNVBAGLBSA-N -1 3 272.251 1.585 10 0 CDAEHM CCN(C(=O)NC[C@@H]1CCCN(C)C1)[C@@H](C)CC(=O)[O-] ZINC000061214520 519965261 /nfs/dbraw/zinc/96/52/61/519965261.db2.gz CLEZRZWSKKXSQU-RYUDHWBXSA-N -1 3 285.388 1.223 10 0 CDAEHM CCN(CC(=O)NC1CCCC1)[C@H](C)CC(=O)[O-] ZINC000061183289 520329126 /nfs/dbraw/zinc/32/91/26/520329126.db2.gz MCRQVHSDTDDGCP-SNVBAGLBSA-N -1 3 256.346 1.230 10 0 CDAEHM CCN(CC(=O)NC1CCC(C)CC1)[C@H](C)CC(=O)[O-] ZINC000061182946 520330848 /nfs/dbraw/zinc/33/08/48/520330848.db2.gz FBROKLISGKOOBX-OTTFEQOBSA-N -1 3 284.400 1.866 10 0 CDAEHM CCO[C@H](CN1CCN(Cc2ccccc2)CC1)C(=O)[O-] ZINC000062750506 520519118 /nfs/dbraw/zinc/51/91/18/520519118.db2.gz FIIYVFKCONVJAU-OAHLLOKOSA-N -1 3 292.379 1.294 10 0 CDAEHM CCOC(=O)CC(=O)COc1ccc2c([O-])coc2c1 ZINC000068815507 520592483 /nfs/dbraw/zinc/59/24/83/520592483.db2.gz AHRONNVETYYFDL-UHFFFAOYSA-N -1 3 278.260 1.163 10 0 CDAEHM CCN1CCC[C@H](NC(=O)N(CCC(=O)[O-])C(C)C)C1 ZINC000049227868 521644384 /nfs/dbraw/zinc/64/43/84/521644384.db2.gz RSTYIFFYWWDXNS-LBPRGKRZSA-N -1 3 285.388 1.365 10 0 CDAEHM Cc1cccc(C(=O)N(C)Cc2cnccn2)c1[O-] ZINC000172234614 534583963 /nfs/dbraw/zinc/58/39/63/534583963.db2.gz UXUIQQZNXWWIBH-UHFFFAOYSA-N -1 3 257.293 1.763 10 0 CDAEHM CN(C)CCN[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000062718612 521787668 /nfs/dbraw/zinc/78/76/68/521787668.db2.gz HZVCBAAUARQWCW-LLVKDONJSA-N -1 3 276.258 1.381 10 0 CDAEHM CNC(C)(C)C(=O)N(CCC(=O)[O-])c1ccccc1 ZINC000061318138 521933979 /nfs/dbraw/zinc/93/39/79/521933979.db2.gz UJELUTRBZLTJIZ-UHFFFAOYSA-N -1 3 264.325 1.492 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)Cc1cc(C)on1)[C@H]1CCCO1 ZINC000339449179 522677195 /nfs/dbraw/zinc/67/71/95/522677195.db2.gz UTLYZEZPWLOCTI-NWDGAFQWSA-N -1 3 288.369 1.360 10 0 CDAEHM CCn1c(=O)[n-]nc1SCc1ccc(C)nc1C ZINC000187280970 523093008 /nfs/dbraw/zinc/09/30/08/523093008.db2.gz TVLRCFGODHBSSD-UHFFFAOYSA-N -1 3 264.354 1.895 10 0 CDAEHM CCc1cc(=S)n([C@@]2(C)CCS(=O)(=O)C2)[n-]1 ZINC000052304713 523842491 /nfs/dbraw/zinc/84/24/91/523842491.db2.gz QYZJFSCZZOEIRM-JTQLQIEISA-N -1 3 260.384 1.268 10 0 CDAEHM C[C@H](CN1CCCC1)NC(=O)N(CC(=O)[O-])C1CCCC1 ZINC000049187438 524313917 /nfs/dbraw/zinc/31/39/17/524313917.db2.gz PCDMMWADFTXWNK-GFCCVEGCSA-N -1 3 297.399 1.510 10 0 CDAEHM C[C@@H](CN1CCCC1)Nc1nccnc1C(=O)[O-] ZINC000054531570 524595902 /nfs/dbraw/zinc/59/59/02/524595902.db2.gz IAMBHAXRMNRJRJ-VIFPVBQESA-N -1 3 250.302 1.071 10 0 CDAEHM C[C@@H](CN1CCCCC1)NC(=O)N(C)C(C)(C)C(=O)[O-] ZINC000061175676 524602454 /nfs/dbraw/zinc/60/24/54/524602454.db2.gz CTYQVGZJENZRFS-NSHDSACASA-N -1 3 285.388 1.365 10 0 CDAEHM O=C([O-])c1ccc(C(=O)N[C@H]2CCN3CCC[C@H]23)s1 ZINC000049571990 526363721 /nfs/dbraw/zinc/36/37/21/526363721.db2.gz QATOQMHVGREXOK-DTWKUNHWSA-N -1 3 280.349 1.413 10 0 CDAEHM c1cc(NCc2ccncn2)cc(-c2nnn[n-]2)c1 ZINC000054789389 526433150 /nfs/dbraw/zinc/43/31/50/526433150.db2.gz UJYPETOIDZFNCC-UHFFFAOYSA-N -1 3 253.269 1.269 10 0 CDAEHM c1cc(NCc2ccncn2)cc(-c2nn[n-]n2)c1 ZINC000054789389 526433154 /nfs/dbraw/zinc/43/31/54/526433154.db2.gz UJYPETOIDZFNCC-UHFFFAOYSA-N -1 3 253.269 1.269 10 0 CDAEHM O=C(NCc1ccnc(-n2ccnc2)c1)c1ccccc1[O-] ZINC000054628578 526788703 /nfs/dbraw/zinc/78/87/03/526788703.db2.gz FAVRMQAYHCNGHG-UHFFFAOYSA-N -1 3 294.314 1.903 10 0 CDAEHM NC(=O)C[C@H]1CCN(Cc2cc([O-])cc(F)c2)C1 ZINC000367709381 526909725 /nfs/dbraw/zinc/90/97/25/526909725.db2.gz SSCLDBAJGUPLFQ-SECBINFHSA-N -1 3 252.289 1.229 10 0 CDAEHM O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cccc([O-])c1 ZINC000182896391 526927396 /nfs/dbraw/zinc/92/73/96/526927396.db2.gz ZMTAOYLSWMWYHF-CYBMUJFWSA-N -1 3 283.331 1.796 10 0 CDAEHM O=C(N[C@H]1CCc2cc(Cl)ccc21)c1c[n-]nn1 ZINC000055739075 527071422 /nfs/dbraw/zinc/07/14/22/527071422.db2.gz DJLJKCBXOJRZOS-JTQLQIEISA-N -1 3 262.700 1.875 10 0 CDAEHM O=C(N[C@H]1CCc2cc(Cl)ccc21)c1cnn[n-]1 ZINC000055739075 527071426 /nfs/dbraw/zinc/07/14/26/527071426.db2.gz DJLJKCBXOJRZOS-JTQLQIEISA-N -1 3 262.700 1.875 10 0 CDAEHM O=C(N[C@H]1CCc2cc(Cl)ccc21)c1cn[n-]n1 ZINC000055739075 527071429 /nfs/dbraw/zinc/07/14/29/527071429.db2.gz DJLJKCBXOJRZOS-JTQLQIEISA-N -1 3 262.700 1.875 10 0 CDAEHM N[C@H]1Cc2ccccc2N(C(=O)c2ncccc2[O-])C1 ZINC000070195615 527420695 /nfs/dbraw/zinc/42/06/95/527420695.db2.gz XOIPBQCCDGEEJD-NSHDSACASA-N -1 3 269.304 1.317 10 0 CDAEHM CC[C@@](C)(O)CNC(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000342081912 536009729 /nfs/dbraw/zinc/00/97/29/536009729.db2.gz XJWQXNPSNSCMTO-MRXNPFEDSA-N -1 3 288.347 1.727 10 0 CDAEHM C[C@@]1(c2ccc(CNCc3ccoc3)cc2)NC(=O)[N-]C1=O ZINC000727470810 574584974 /nfs/dbraw/zinc/58/49/74/574584974.db2.gz NQNMYHSUQNAAOL-INIZCTEOSA-N -1 3 299.330 1.624 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCC[C@H]3COCC[C@@H]32)n1 ZINC000761912263 576605081 /nfs/dbraw/zinc/60/50/81/576605081.db2.gz MQVUGGUQQJSNIS-RYUDHWBXSA-N -1 3 263.341 1.492 10 0 CDAEHM CC[C@@H](C)[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)[O-] ZINC000040472351 574414747 /nfs/dbraw/zinc/41/47/47/574414747.db2.gz JWBLQDDHSDGEGR-RTXFEEFZSA-N -1 3 278.352 1.172 10 0 endogenous,in-man CDAEHM Cn1ncc(NC([O-])=NOCC(F)F)c1C1CC1 ZINC000771206773 575557344 /nfs/dbraw/zinc/55/73/44/575557344.db2.gz CDGAGILTOKZHHF-UHFFFAOYSA-N -1 3 260.244 1.616 10 0 CDAEHM Cn1ncc(NC(=O)[N-]OCC(F)F)c1C1CC1 ZINC000771206773 575557345 /nfs/dbraw/zinc/55/73/45/575557345.db2.gz CDGAGILTOKZHHF-UHFFFAOYSA-N -1 3 260.244 1.616 10 0 CDAEHM C[C@@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)n1cccn1 ZINC000772482231 575707926 /nfs/dbraw/zinc/70/79/26/575707926.db2.gz YCHROANUZGBODA-VIFPVBQESA-N -1 3 285.311 1.206 10 0 CDAEHM C[C@@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)n1cccn1 ZINC000772482231 575707929 /nfs/dbraw/zinc/70/79/29/575707929.db2.gz YCHROANUZGBODA-VIFPVBQESA-N -1 3 285.311 1.206 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)C2CCCCC2)o1 ZINC000773313645 575800367 /nfs/dbraw/zinc/80/03/67/575800367.db2.gz YMQTZLMIWPHPPX-GFCCVEGCSA-N -1 3 287.381 1.808 10 0 CDAEHM CSC[C@H]1CCCN1Cc1nc(C)cc(=O)[n-]1 ZINC000767906439 576238128 /nfs/dbraw/zinc/23/81/28/576238128.db2.gz OGUJJIUYQFDVOW-SNVBAGLBSA-N -1 3 253.371 1.818 10 0 CDAEHM Cc1cc(OCC(=O)[N-]c2onc(C)c2C)no1 ZINC000742222413 576589852 /nfs/dbraw/zinc/58/98/52/576589852.db2.gz KLFWKAPLBANJIH-UHFFFAOYSA-N -1 3 251.242 1.605 10 0 CDAEHM Cc1cc(=O)[n-]c(CN[C@@H](CC(N)=O)C2CCCCC2)n1 ZINC000754503035 576898666 /nfs/dbraw/zinc/89/86/66/576898666.db2.gz RVNLUVHLXWRZCS-LBPRGKRZSA-N -1 3 292.383 1.405 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCC(n3ccnc3)CC2)n1 ZINC000754799561 576916150 /nfs/dbraw/zinc/91/61/50/576916150.db2.gz SJDHWAGZXCNQRE-UHFFFAOYSA-N -1 3 273.340 1.524 10 0 CDAEHM COCCO[N-]C(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1 ZINC000748773404 576924192 /nfs/dbraw/zinc/92/41/92/576924192.db2.gz BSKCXFZJYVPDMH-CHWSQXEVSA-N -1 3 265.309 1.493 10 0 CDAEHM CCC(C)(C)NC(=O)COC(=O)c1ccc([O-])c(OC)c1 ZINC000757100884 577027732 /nfs/dbraw/zinc/02/77/32/577027732.db2.gz 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10 0 CDAEHM O=C(N1CCc2nc[n-]c(=O)c2C1)C1(CF)CCC1 ZINC001326641388 954468771 /nfs/dbraw/zinc/46/87/71/954468771.db2.gz LMRJJEURCREOPZ-UHFFFAOYSA-N -1 3 265.288 1.207 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccn(CCF)n1 ZINC001363265677 972033497 /nfs/dbraw/zinc/03/34/97/972033497.db2.gz GENKREBSBSFLBW-UHFFFAOYSA-N -1 3 281.262 1.879 10 0 CDAEHM O=C1OCC[C@@H]1CCN1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001364499711 954693954 /nfs/dbraw/zinc/69/39/54/954693954.db2.gz KHFMSUHZMGWGDS-JTQLQIEISA-N -1 3 289.335 1.328 10 0 CDAEHM O=c1[n-]c(CSc2nncs2)nc2c1COCC2 ZINC001364591854 954862107 /nfs/dbraw/zinc/86/21/07/954862107.db2.gz FJYNSMRKXUJXSH-UHFFFAOYSA-N -1 3 282.350 1.399 10 0 CDAEHM CN(C)CCONC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC001329291075 955803711 /nfs/dbraw/zinc/80/37/11/955803711.db2.gz KIMILDFXTMXAHR-UHFFFAOYSA-N -1 3 276.695 1.408 10 0 CDAEHM COC(=O)c1sccc1CN1CC[C@H](c2nnn[n-]2)C1 ZINC001365323201 955892654 /nfs/dbraw/zinc/89/26/54/955892654.db2.gz CCBQTFIJPNXIRH-VIFPVBQESA-N -1 3 293.352 1.037 10 0 CDAEHM COC(=O)c1sccc1CN1CC[C@H](c2nn[n-]n2)C1 ZINC001365323201 955892659 /nfs/dbraw/zinc/89/26/59/955892659.db2.gz CCBQTFIJPNXIRH-VIFPVBQESA-N -1 3 293.352 1.037 10 0 CDAEHM O=C([O-])CC1CCN(Cc2cnn3c2CCC3)CC1 ZINC001334005369 958757595 /nfs/dbraw/zinc/75/75/95/958757595.db2.gz KUSXUDVICBEUKZ-UHFFFAOYSA-N -1 3 263.341 1.516 10 0 CDAEHM Cc1cnc(CN[C@@H]2C[C@@H](C(=O)[O-])CC[C@@H]2C)o1 ZINC001334840420 959399907 /nfs/dbraw/zinc/39/99/07/959399907.db2.gz ANSKCOVVXITWOP-INTQDDNPSA-N -1 3 252.314 1.962 10 0 CDAEHM O=c1[n-]c(CSc2ncc[nH]2)nc2c1COCC2 ZINC001335490757 959841441 /nfs/dbraw/zinc/84/14/41/959841441.db2.gz LUOXUGRYCMMRSA-UHFFFAOYSA-N -1 3 264.310 1.270 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001433718944 960554267 /nfs/dbraw/zinc/55/42/67/960554267.db2.gz CHIJIMYMOJIZKK-FRRDWIJNSA-N -1 3 277.368 1.441 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc2cccnc2c1 ZINC001433732308 960566332 /nfs/dbraw/zinc/56/63/32/960566332.db2.gz VYTJNPJGABGSHM-CYBMUJFWSA-N -1 3 296.330 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297.322 1.085 10 0 CDAEHM NC(=O)N[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000281646519 539129237 /nfs/dbraw/zinc/12/92/37/539129237.db2.gz RJVLYGCACNTZDW-GFCCVEGCSA-N -1 3 299.330 1.428 10 0 CDAEHM COC(=O)[C@@]1([N-]S(=O)(=O)CC2CC2)CC[C@@H](C)CC1 ZINC000594838435 342962619 /nfs/dbraw/zinc/96/26/19/342962619.db2.gz ZYKYJFBUGZCRJJ-MJHDQNEOSA-N -1 3 289.397 1.438 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)C[C@H](C)n2cccc2)[n-]1 ZINC000619448583 349719532 /nfs/dbraw/zinc/71/95/32/349719532.db2.gz XCTWPJWBGIRHRW-JTQLQIEISA-N -1 3 290.323 1.978 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)C[C@H](C)n2cccc2)c[n-]1 ZINC000619448583 349719534 /nfs/dbraw/zinc/71/95/34/349719534.db2.gz XCTWPJWBGIRHRW-JTQLQIEISA-N -1 3 290.323 1.978 10 0 CDAEHM CC(C)CN(C(=O)C[C@@H]1NC(=O)[N-]C1=O)C1CCCC1 ZINC000535014415 282220245 /nfs/dbraw/zinc/22/02/45/282220245.db2.gz NRTYTJLKWRJHKF-NSHDSACASA-N -1 3 281.356 1.012 10 0 CDAEHM O=C(NNc1cccnn1)c1cc2c(cc1[O-])CCCC2 ZINC000077029648 342326577 /nfs/dbraw/zinc/32/65/77/342326577.db2.gz KAUASSZIZYBCOV-UHFFFAOYSA-N -1 3 284.319 1.818 10 0 CDAEHM O=C(NN=c1cccn[n-]1)c1cc2c(cc1O)CCCC2 ZINC000077029648 342326578 /nfs/dbraw/zinc/32/65/78/342326578.db2.gz KAUASSZIZYBCOV-UHFFFAOYSA-N -1 3 284.319 1.818 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2C[C@@H](C)C(O)[C@H](C)C2)cs1 ZINC000618278602 342349461 /nfs/dbraw/zinc/34/94/61/342349461.db2.gz CPQPDOHEPMPTTK-RKDXNWHRSA-N -1 3 283.397 1.086 10 0 CDAEHM CCOC(=O)c1csc(=NC[C@@H]2CCOC2(C)C)[n-]1 ZINC000596537633 343345634 /nfs/dbraw/zinc/34/56/34/343345634.db2.gz CJUYIDUBCBMANK-VIFPVBQESA-N -1 3 284.381 1.969 10 0 CDAEHM O=C([O-])CN1CCCC[C@@H](N2CCC3(CCC3)C2)C1=O ZINC000643874270 362180277 /nfs/dbraw/zinc/18/02/77/362180277.db2.gz SSLWAYIMQIUHLF-GFCCVEGCSA-N -1 3 280.368 1.328 10 0 CDAEHM c1cnc(Oc2ccc(Cc3nnn[n-]3)cc2)nc1 ZINC000095251891 342431460 /nfs/dbraw/zinc/43/14/60/342431460.db2.gz JJTJAKXLBNBVED-UHFFFAOYSA-N -1 3 254.253 1.373 10 0 CDAEHM c1cnc(Oc2ccc(Cc3nn[n-]n3)cc2)nc1 ZINC000095251891 342431461 /nfs/dbraw/zinc/43/14/61/342431461.db2.gz JJTJAKXLBNBVED-UHFFFAOYSA-N -1 3 254.253 1.373 10 0 CDAEHM CCc1nsc([N-]c2cnn(CCN(C)C)c2)n1 ZINC000092627969 342415714 /nfs/dbraw/zinc/41/57/14/342415714.db2.gz YRBIWBYNQNTDQC-UHFFFAOYSA-N -1 3 266.374 1.602 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)C[C@H](C)[C@H]2CCCO2)[n-]1 ZINC000597558199 343572421 /nfs/dbraw/zinc/57/24/21/343572421.db2.gz HBAIZFMFSLIDSL-VHSXEESVSA-N -1 3 295.339 1.730 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)C[C@H](C)[C@H]2CCCO2)c[n-]1 ZINC000597558199 343572422 /nfs/dbraw/zinc/57/24/22/343572422.db2.gz HBAIZFMFSLIDSL-VHSXEESVSA-N -1 3 295.339 1.730 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-]CCCC2CC2)nc1C ZINC000535759709 282280395 /nfs/dbraw/zinc/28/03/95/282280395.db2.gz XRUZTZYRFVZLDU-UHFFFAOYSA-N -1 3 271.386 1.680 10 0 CDAEHM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000598011937 343696614 /nfs/dbraw/zinc/69/66/14/343696614.db2.gz KSBFUIPRQKXUGT-WCQYABFASA-N -1 3 293.319 1.069 10 0 CDAEHM COC(=O)[C@@](C)(CCF)NC(=O)c1ccc(C)cc1[O-] ZINC000598284553 343753091 /nfs/dbraw/zinc/75/30/91/343753091.db2.gz IBOBTWPSDSSMIW-CQSZACIVSA-N -1 3 283.299 1.722 10 0 CDAEHM COc1nc([N-]C(=O)c2cc(-c3ccccc3)on2)n[n-]1 ZINC000158935212 362273924 /nfs/dbraw/zinc/27/39/24/362273924.db2.gz SDLIAKQJJFFXEQ-UHFFFAOYSA-N -1 3 285.263 1.721 10 0 CDAEHM COc1nc(NC(=O)c2cc(-c3ccccc3)on2)n[n-]1 ZINC000158935212 362273927 /nfs/dbraw/zinc/27/39/27/362273927.db2.gz SDLIAKQJJFFXEQ-UHFFFAOYSA-N -1 3 285.263 1.721 10 0 CDAEHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H]1CC12CC2 ZINC000571431666 362514080 /nfs/dbraw/zinc/51/40/80/362514080.db2.gz FAHOSYYKTNEWEI-SNVBAGLBSA-N -1 3 271.276 1.244 10 0 CDAEHM CCc1cccc(C(=O)N[C@H](CO)C2CCC2)c1[O-] ZINC000617309952 345145141 /nfs/dbraw/zinc/14/51/41/345145141.db2.gz MFJJFUPQLQUZLC-CYBMUJFWSA-N -1 3 263.337 1.845 10 0 CDAEHM Cc1cccc([O-])c1C(=O)NCCCN1CCCC1=O ZINC000623362224 346090242 /nfs/dbraw/zinc/09/02/42/346090242.db2.gz KUCGSAXOJUOKIM-UHFFFAOYSA-N -1 3 276.336 1.443 10 0 CDAEHM CN1CCC(NC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC000085334520 179022340 /nfs/dbraw/zinc/02/23/40/179022340.db2.gz MMKUGNHCLMLQKH-NEPJUHHUSA-N -1 3 283.372 1.023 10 0 CDAEHM Cc1nc(-c2ccc3c(c2)OCCO3)[n-]c(=O)c1CCO ZINC000085404050 179053871 /nfs/dbraw/zinc/05/38/71/179053871.db2.gz WPWSQEZLTVETOJ-UHFFFAOYSA-N -1 3 288.303 1.051 10 0 CDAEHM COC(=O)c1cc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)oc1C ZINC000584719415 346413713 /nfs/dbraw/zinc/41/37/13/346413713.db2.gz FRGWJGPHPMSWTG-RNCFNFMXSA-N -1 3 295.335 1.917 10 0 CDAEHM Cc1ccc([O-])c(CN2CCCC[C@@H]2CS(C)(=O)=O)n1 ZINC000449529286 362746757 /nfs/dbraw/zinc/74/67/57/362746757.db2.gz WCIURHDFCMAAMS-GFCCVEGCSA-N -1 3 298.408 1.495 10 0 CDAEHM COCc1n[n-]c(=NCCN2CCCC[C@H]2C)s1 ZINC000357062716 293324738 /nfs/dbraw/zinc/32/47/38/293324738.db2.gz XFTZBDQLEASOMZ-SNVBAGLBSA-N -1 3 270.402 1.393 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)Nc1c2ncsc2ccc1Cl ZINC000085812601 179178106 /nfs/dbraw/zinc/17/81/06/179178106.db2.gz KYKFJYIHGQVVIY-LURJTMIESA-N -1 3 299.739 1.690 10 0 CDAEHM C[C@H](CCc1ccc(O)cc1)NC(=O)[C@H](N)CCC(=O)[O-] ZINC000085819722 179182570 /nfs/dbraw/zinc/18/25/70/179182570.db2.gz HUBUQBSRYNFIPK-ZWNOBZJWSA-N -1 3 294.351 1.022 10 0 CDAEHM Cc1ccc(N(C)C(=O)[C@H](N)CCC(=O)[O-])c(C)c1 ZINC000085843744 179186407 /nfs/dbraw/zinc/18/64/07/179186407.db2.gz URIBOSUYRQBYKJ-LLVKDONJSA-N -1 3 264.325 1.458 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)N(Cc1cccs1)C1CC1 ZINC000085815845 179180372 /nfs/dbraw/zinc/18/03/72/179180372.db2.gz YKJNKTBFGXWCAN-SNVBAGLBSA-N -1 3 268.338 1.041 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)N1CCC2(CCCCC2)CC1 ZINC000085817986 179181317 /nfs/dbraw/zinc/18/13/17/179181317.db2.gz OEHRYSHWFMYXGB-LLVKDONJSA-N -1 3 268.357 1.361 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@@H](O)C(F)(F)C1 ZINC000617819590 347705097 /nfs/dbraw/zinc/70/50/97/347705097.db2.gz JPDSSXNHOQHPEA-LLVKDONJSA-N -1 3 289.253 1.302 10 0 CDAEHM CCN=c1[n-]c(C(=O)N(C)c2nncs2)cs1 ZINC000613544486 347775870 /nfs/dbraw/zinc/77/58/70/347775870.db2.gz GODNFKSRRHFEPM-UHFFFAOYSA-N -1 3 269.355 1.125 10 0 CDAEHM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H](N2CCC2)[C@H](F)C1 ZINC000614095398 347999010 /nfs/dbraw/zinc/99/90/10/347999010.db2.gz XVOBVRDERBKVTE-CHWSQXEVSA-N -1 3 296.317 1.790 10 0 CDAEHM CCOC(=O)c1nnc(CNC(=O)c2cscc2C)[n-]1 ZINC000615917362 348994369 /nfs/dbraw/zinc/99/43/69/348994369.db2.gz LRXYVCOMEOUMQH-UHFFFAOYSA-N -1 3 294.336 1.281 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2C[C@H](C)C(O)[C@@H](C)C2)c1 ZINC000618263124 349418141 /nfs/dbraw/zinc/41/81/41/349418141.db2.gz BKSFRZNWLPZDPR-UWVGGRQHSA-N -1 3 279.336 1.490 10 0 CDAEHM Cc1ccc(C(=O)N2CC[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC000620138840 350062407 /nfs/dbraw/zinc/06/24/07/350062407.db2.gz QFXYOWHATGDABR-NEPJUHHUSA-N -1 3 261.321 1.809 10 0 CDAEHM COc1nnc(NC(=O)c2csc(NC3CC3)n2)[n-]1 ZINC000271349180 191088049 /nfs/dbraw/zinc/08/80/49/191088049.db2.gz LAWVMHPQLXRMGL-UHFFFAOYSA-N -1 3 280.313 1.096 10 0 CDAEHM COc1nc(NC(=O)c2csc(NC3CC3)n2)n[n-]1 ZINC000271349180 191088052 /nfs/dbraw/zinc/08/80/52/191088052.db2.gz LAWVMHPQLXRMGL-UHFFFAOYSA-N -1 3 280.313 1.096 10 0 CDAEHM COc1n[n-]c(NC(=O)c2csc(NC3CC3)n2)n1 ZINC000271349180 191088053 /nfs/dbraw/zinc/08/80/53/191088053.db2.gz LAWVMHPQLXRMGL-UHFFFAOYSA-N -1 3 280.313 1.096 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cc(F)c[n-]c2=O)[C@H](C)[C@@H](C)O1 ZINC000621965719 350897243 /nfs/dbraw/zinc/89/72/43/350897243.db2.gz AEYCFXHCDWKKAF-IWSPIJDZSA-N -1 3 268.288 1.564 10 0 CDAEHM CCn1cnnc1[N-]C(=O)COCc1ccc(C)cc1 ZINC000622033392 350943246 /nfs/dbraw/zinc/94/32/46/350943246.db2.gz RQJBTMLTWPQVAP-UHFFFAOYSA-N -1 3 274.324 1.762 10 0 CDAEHM CC[C@@H](C)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291615559 198051039 /nfs/dbraw/zinc/05/10/39/198051039.db2.gz SWGBMZIAJIWQGF-MRVPVSSYSA-N -1 3 277.324 1.567 10 0 CDAEHM CCc1cc(=O)[n-]c(CN[C@@H]2COCC2(C)C)n1 ZINC000451810803 363130808 /nfs/dbraw/zinc/13/08/08/363130808.db2.gz MGKYGKJWEIFVCN-SNVBAGLBSA-N -1 3 251.330 1.259 10 0 CDAEHM CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccccn2)CCO1 ZINC000451815551 363134005 /nfs/dbraw/zinc/13/40/05/363134005.db2.gz HSKZCWANXNKULU-QWHCGFSZSA-N -1 3 298.408 1.811 10 0 CDAEHM COc1ncccc1C[N-]S(=O)(=O)Cc1cc(C)on1 ZINC000265302400 363286027 /nfs/dbraw/zinc/28/60/27/363286027.db2.gz GLFCUDXOPKBRCZ-UHFFFAOYSA-N -1 3 297.336 1.006 10 0 CDAEHM CC1(C)CCC[C@@H]1CCNC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000628271668 363347948 /nfs/dbraw/zinc/34/79/48/363347948.db2.gz MGKUJXYUKRGXHL-GHMZBOCLSA-N -1 3 295.383 1.307 10 0 CDAEHM Cc1cc(=O)c(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)c[nH]1 ZINC000356262684 366204163 /nfs/dbraw/zinc/20/41/63/366204163.db2.gz KWRQKVGXQOZSQS-UHFFFAOYSA-N -1 3 295.302 1.143 10 0 CDAEHM CCN1CC[C@H]([N-]S(=O)(=O)c2ccc(C)cc2F)C1 ZINC000336354995 363386370 /nfs/dbraw/zinc/38/63/70/363386370.db2.gz WPQJYOGUDNBGFX-NSHDSACASA-N -1 3 286.372 1.507 10 0 CDAEHM O=C(N[C@H](C1CC1)C1CCOCC1)c1cc(=O)[n-]cn1 ZINC000627990053 356307875 /nfs/dbraw/zinc/30/78/75/356307875.db2.gz PCBKRXWNGQFLSP-CYBMUJFWSA-N -1 3 277.324 1.117 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000628048714 356430764 /nfs/dbraw/zinc/43/07/64/356430764.db2.gz PCSBHFPXBWOYGT-NXEZZACHSA-N -1 3 272.308 1.728 10 0 CDAEHM CC[C@@H]1C[C@H]1C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000636113635 363551718 /nfs/dbraw/zinc/55/17/18/363551718.db2.gz WHQZOVHDSJNHIS-NXEZZACHSA-N -1 3 263.341 1.888 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1sccc1C)[C@H](O)C(F)F ZINC000451714124 363572820 /nfs/dbraw/zinc/57/28/20/363572820.db2.gz PCPDEXIIDRHEDO-YUMQZZPRSA-N -1 3 299.364 1.739 10 0 CDAEHM Cc1nc2n(n1)CCC[C@H]2[N-]C(=O)C(C)(Cl)Cl ZINC000181684561 357373786 /nfs/dbraw/zinc/37/37/86/357373786.db2.gz UIBHOGGDBINZGQ-SSDOTTSWSA-N -1 3 277.155 1.731 10 0 CDAEHM Nc1c([O-])cc(F)cc1I ZINC000575726369 357345485 /nfs/dbraw/zinc/34/54/85/357345485.db2.gz PIOAEPSLWQWKFI-UHFFFAOYSA-N -1 3 253.014 1.718 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCC[C@@H](CO)C1 ZINC000627768291 357486827 /nfs/dbraw/zinc/48/68/27/357486827.db2.gz RMOMVUZRGVOXJY-VXGBXAGGSA-N -1 3 263.337 1.982 10 0 CDAEHM C[C@H]1N[C@H](C(=O)[O-])CS[C@]1(O)c1cccc(Cl)c1 ZINC000065739355 357550345 /nfs/dbraw/zinc/55/03/45/357550345.db2.gz NUKIHEHYUSKICU-VHRDEZTHSA-N -1 3 287.768 1.663 10 0 in-vitro CDAEHM CCCC[C@@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)[O-] ZINC000040482379 357842901 /nfs/dbraw/zinc/84/29/01/357842901.db2.gz IZSMZZYBVXKZCF-CHWSQXEVSA-N -1 3 278.352 1.316 10 0 CDAEHM O=C(NCCc1nnc2n1CCCC2)c1cccc([O-])c1 ZINC000364135885 357882971 /nfs/dbraw/zinc/88/29/71/357882971.db2.gz NHYBZLVECBIIFS-UHFFFAOYSA-N -1 3 286.335 1.293 10 0 CDAEHM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cncc(Cl)c2)C1 ZINC000625666051 357988574 /nfs/dbraw/zinc/98/85/74/357988574.db2.gz HCRKIHYXDLYWEC-WAAGHKOSSA-N -1 3 290.772 1.438 10 0 CDAEHM Cc1ccc([O-])c(C(=O)NC[C@H](O)C(F)(F)F)c1 ZINC000081853637 358140730 /nfs/dbraw/zinc/14/07/30/358140730.db2.gz WGDCTRDULOHKNN-VIFPVBQESA-N -1 3 263.215 1.354 10 0 CDAEHM CC(C)C[C@H](CNC(=O)[C@H](N)C(C)C)CC(=O)[O-] ZINC000088272990 358363716 /nfs/dbraw/zinc/36/37/16/358363716.db2.gz 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1.476 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)Nc1cc(F)ccc1C(=O)[O-] ZINC000040473658 174281719 /nfs/dbraw/zinc/28/17/19/174281719.db2.gz APGKNOFXPWPGNA-CPCISQLKSA-N -1 3 268.288 1.836 10 0 CDAEHM CCC[C@@](C)(N)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000040473828 174281738 /nfs/dbraw/zinc/28/17/38/174281738.db2.gz KYCYHMXYFHBKEC-CYBMUJFWSA-N -1 3 268.288 1.980 10 0 CDAEHM CCC[C@](C)(N)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000040480023 174284232 /nfs/dbraw/zinc/28/42/32/174284232.db2.gz DKJYXEITQPXDDQ-ZDUSSCGKSA-N -1 3 268.288 1.980 10 0 CDAEHM CC[C@@H](C)[C@@H](N)C(=O)NC1(C(=O)[O-])CCC(CC)CC1 ZINC000040481422 174285424 /nfs/dbraw/zinc/28/54/24/174285424.db2.gz PCLJOVQKWSAMQQ-NGWKBDRKSA-N -1 3 284.400 1.900 10 0 CDAEHM CC[NH+](CC)CCNC(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000040549076 174326608 /nfs/dbraw/zinc/32/66/08/174326608.db2.gz NMTWRVMFCBNJKM-UHFFFAOYSA-N -1 3 295.339 1.554 10 0 CDAEHM CC[C@H](C)N(CC(=O)[O-])C(=O)NC[C@@H]1CCCN1CC ZINC000040552882 174329663 /nfs/dbraw/zinc/32/96/63/174329663.db2.gz 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280.349 1.893 10 0 CDAEHM COc1ccc(C(=O)N2CCN(C3CC3)CC2)c([O-])c1 ZINC000048995819 424344625 /nfs/dbraw/zinc/34/46/25/424344625.db2.gz YLVPHMOKPKCNRZ-UHFFFAOYSA-N -1 3 276.336 1.321 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@H]2CS[C@@H](C)C2)sc1C ZINC000397834687 270351747 /nfs/dbraw/zinc/35/17/47/270351747.db2.gz OGMRUBWYEWFQIP-POYBYMJQSA-N -1 3 272.395 1.966 10 0 CDAEHM COc1nc(NC(=O)C[C@@H](C)c2ccco2)n[n-]1 ZINC000528946945 270893767 /nfs/dbraw/zinc/89/37/67/270893767.db2.gz KXXDNLNVSWRPNH-SSDOTTSWSA-N -1 3 250.258 1.539 10 0 CDAEHM COc1nnc(NC(=O)C[C@@H](C)c2ccco2)[n-]1 ZINC000528946945 270893768 /nfs/dbraw/zinc/89/37/68/270893768.db2.gz KXXDNLNVSWRPNH-SSDOTTSWSA-N -1 3 250.258 1.539 10 0 CDAEHM COc1n[n-]c(NC(=O)C[C@@H](C)c2ccco2)n1 ZINC000528946945 270893770 /nfs/dbraw/zinc/89/37/70/270893770.db2.gz KXXDNLNVSWRPNH-SSDOTTSWSA-N -1 3 250.258 1.539 10 0 CDAEHM Cc1ccc(C(=O)NC[C@H](O)[C@H]2CCCO2)c([O-])c1C ZINC000529763149 271029155 /nfs/dbraw/zinc/02/91/55/271029155.db2.gz 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ZINC001737098761 1184091619 /nfs/dbraw/zinc/09/16/19/1184091619.db2.gz SZBSBMZLVNNQMQ-UHFFFAOYSA-N -1 3 278.352 1.627 10 0 CDAEHM CC(C)(C)CCC(=O)NCC=CCNC(=O)c1cn[n-]n1 ZINC001738540825 1184325669 /nfs/dbraw/zinc/32/56/69/1184325669.db2.gz HWVWXSXVVAWGCW-SNAWJCMRSA-N -1 3 293.371 1.033 10 0 CDAEHM CC(C)(C)CCC(=O)NCC=CCNC(=O)c1cn[n-]n1 ZINC001738540824 1184325947 /nfs/dbraw/zinc/32/59/47/1184325947.db2.gz HWVWXSXVVAWGCW-PLNGDYQASA-N -1 3 293.371 1.033 10 0 CDAEHM CCC(C)(CC)C(=O)NCC=CCNC(=O)c1cn[n-]n1 ZINC001747243745 1184705908 /nfs/dbraw/zinc/70/59/08/1184705908.db2.gz IXVMOKBSMVMUEH-SREVYHEPSA-N -1 3 293.371 1.033 10 0 CDAEHM O=C([O-])[C@@H](NCc1cc2n(n1)CCCC2)[C@@H]1CCCOC1 ZINC001771906988 1186944684 /nfs/dbraw/zinc/94/46/84/1186944684.db2.gz ADKSYRBQKHULBJ-RISCZKNCSA-N -1 3 293.367 1.189 10 0 CDAEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C(C)(C)C(F)(F)F)C2 ZINC001772455535 1187240576 /nfs/dbraw/zinc/24/05/76/1187240576.db2.gz ZNLCAMIRHZQRLN-UHFFFAOYSA-N -1 3 289.257 1.921 10 0 CDAEHM 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CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000868383019 712411074 /nfs/dbraw/zinc/41/10/74/712411074.db2.gz QHYCJJFCCRHAHX-GHMZBOCLSA-N -1 3 265.357 1.441 10 0 CDAEHM O=c1c(F)c(C(F)(F)F)[n-]n1C1=N[C@@H]2CCCC[C@H]2N1 ZINC000871963422 712424877 /nfs/dbraw/zinc/42/48/77/712424877.db2.gz OJXUEIQSZKVVAQ-FSDSQADBSA-N -1 3 292.236 1.355 10 0 CDAEHM COC(=O)/C(C)=C\CNC(=O)c1ccc(OC)cc1[O-] ZINC000927981327 712425561 /nfs/dbraw/zinc/42/55/61/712425561.db2.gz CPCFASHSMRHOOR-TWGQIWQCSA-N -1 3 279.292 1.250 10 0 CDAEHM CCCCCCNC(=O)CN1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000842938850 712506495 /nfs/dbraw/zinc/50/64/95/712506495.db2.gz ZVTIUPIQQJTPQH-CHWSQXEVSA-N -1 3 284.400 1.726 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H]3C[C@@H]3C2)nn1 ZINC000867551859 712508651 /nfs/dbraw/zinc/50/86/51/712508651.db2.gz CNGTUYGDELHQGU-UTUOFQBUSA-N -1 3 281.381 1.500 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1ccco1)[C@](C)(O)c1ccccc1 ZINC000845982635 712693986 /nfs/dbraw/zinc/69/39/86/712693986.db2.gz 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ZINC000879654249 1166391670 /nfs/dbraw/zinc/39/16/70/1166391670.db2.gz CVZMYFGHWRBDTI-RKDXNWHRSA-N -1 3 294.355 1.280 10 0 CDAEHM O=C([N-]N1CC(=O)NC1=O)c1coc2ccc(Cl)cc12 ZINC001641142598 1167080528 /nfs/dbraw/zinc/08/05/28/1167080528.db2.gz YKRMZPNMZVGABO-UHFFFAOYSA-N -1 3 293.666 1.283 10 0 CDAEHM O=C(NN1CC(=O)[N-]C1=O)c1coc2ccc(Cl)cc12 ZINC001641142598 1167080534 /nfs/dbraw/zinc/08/05/34/1167080534.db2.gz YKRMZPNMZVGABO-UHFFFAOYSA-N -1 3 293.666 1.283 10 0 CDAEHM C[C@H](NC(=O)[C@H]1C[C@@H]1F)c1nc(C(F)(F)F)n[n-]1 ZINC001645534585 1167412390 /nfs/dbraw/zinc/41/23/90/1167412390.db2.gz ZZXIBWMDQDKNID-YUPRTTJUSA-N -1 3 266.198 1.359 10 0 CDAEHM O=C(C[C@@H]1CCC(F)(F)C1)N1CCc2c(=O)[n-]cnc2C1 ZINC001645837553 1167528360 /nfs/dbraw/zinc/52/83/60/1167528360.db2.gz DZGSFALXYNAMDM-VIFPVBQESA-N -1 3 297.305 1.892 10 0 CDAEHM COc1cccc([O-])c1C(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000405202461 897565181 /nfs/dbraw/zinc/56/51/81/897565181.db2.gz BNGWWAKGSSWWDQ-KOLCDFICSA-N -1 3 265.309 1.244 10 0 CDAEHM 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/nfs/dbraw/zinc/12/51/03/964125103.db2.gz JONMJTCBIVOSFI-UHFFFAOYSA-N -1 3 276.336 1.337 10 0 CDAEHM C[C@@H](NCc1ccon1)[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001440793733 964184520 /nfs/dbraw/zinc/18/45/20/964184520.db2.gz XRZOIHBIRMGBEV-GHMZBOCLSA-N -1 3 289.335 1.677 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](C)COC)c1 ZINC001345690782 964785950 /nfs/dbraw/zinc/78/59/50/964785950.db2.gz FXROMYBFBYZWSB-SNVBAGLBSA-N -1 3 292.335 1.529 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cccc(F)c1N ZINC001445282051 966143503 /nfs/dbraw/zinc/14/35/03/966143503.db2.gz DHTOYWIABDCOIZ-UHFFFAOYSA-N -1 3 278.243 1.170 10 0 CDAEHM CC(C)(CNCc1cc2n(n1)CCCC2)C(=O)[O-] ZINC001349761330 966460326 /nfs/dbraw/zinc/46/03/26/966460326.db2.gz XGQCCWCHUZLCSJ-UHFFFAOYSA-N -1 3 251.330 1.420 10 0 CDAEHM NC(=O)c1ccc(/C=C\C(=O)[N-]OCc2cccnc2)o1 ZINC001446391800 966533362 /nfs/dbraw/zinc/53/33/62/966533362.db2.gz YZFXOYDEVAIPQG-XQRVVYSFSA-N -1 3 287.275 1.035 10 0 CDAEHM C/C(=C\C(=O)N1CCC(Cc2nnn[n-]2)CC1)C(C)(C)C ZINC001350336694 966636752 /nfs/dbraw/zinc/63/67/52/966636752.db2.gz LUDHXHVURJVOFZ-PKNBQFBNSA-N -1 3 291.399 1.973 10 0 CDAEHM C/C(=C\C(=O)N1CCC(Cc2nn[n-]n2)CC1)C(C)(C)C ZINC001350336694 966636759 /nfs/dbraw/zinc/63/67/59/966636759.db2.gz LUDHXHVURJVOFZ-PKNBQFBNSA-N -1 3 291.399 1.973 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N[C@H]1CCC2(C1)OCCO2 ZINC001446898648 966653919 /nfs/dbraw/zinc/65/39/19/966653919.db2.gz XJXYGFPNKFLGAP-NSHDSACASA-N -1 3 277.320 1.726 10 0 CDAEHM COC(=O)/C=C/[C@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001350951538 966806590 /nfs/dbraw/zinc/80/65/90/966806590.db2.gz HNVREGNSMVREGL-IYNCYZAOSA-N -1 3 291.303 1.442 10 0 CDAEHM O=C(/C=C/[C@H]1CCOC1)NCc1nc(C(F)(F)F)n[n-]1 ZINC001448132462 967008561 /nfs/dbraw/zinc/00/85/61/967008561.db2.gz IMTYTAZXHUVVIV-HIXXPVPXSA-N -1 3 290.245 1.032 10 0 CDAEHM CC(C)(C)N1CCN(C(=O)c2ccc([O-])cn2)CC1 ZINC001544970749 967396866 /nfs/dbraw/zinc/39/68/66/967396866.db2.gz QJWYOWQBYZFHRC-UHFFFAOYSA-N -1 3 263.341 1.344 10 0 CDAEHM CC(C)O[N-]C(=O)CCc1nc2ccccc2oc1=O ZINC001450291223 967678806 /nfs/dbraw/zinc/67/88/06/967678806.db2.gz CTLTVTOHFLRPHJ-UHFFFAOYSA-N -1 3 276.292 1.577 10 0 CDAEHM C[C@H](CNC(=O)[C@@H](C)CC(C)(C)C)NC(=O)c1cn[n-]n1 ZINC001452605852 968144692 /nfs/dbraw/zinc/14/46/92/968144692.db2.gz NINXYYMKZLYQSM-VHSXEESVSA-N -1 3 295.387 1.112 10 0 CDAEHM CN1C(=O)CN=C1NC(=O)c1cc([O-])c2ccccc2c1 ZINC001454209849 968444313 /nfs/dbraw/zinc/44/43/13/968444313.db2.gz KIIAPTABCKUYCQ-UHFFFAOYSA-N -1 3 283.287 1.103 10 0 CDAEHM O=C(Cc1ccon1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001454294788 968458459 /nfs/dbraw/zinc/45/84/59/968458459.db2.gz JMYMVKUXZDUGTD-UHFFFAOYSA-N -1 3 288.307 1.297 10 0 CDAEHM CC[C@@H](CNC(=O)[C@H](C)C(C)(C)C)NC(=O)c1cn[n-]n1 ZINC001531291078 969262949 /nfs/dbraw/zinc/26/29/49/969262949.db2.gz ILURSOOEYPWFJS-UWVGGRQHSA-N -1 3 295.387 1.112 10 0 CDAEHM CC(C)=CC(=O)NC[C@@H](CC(C)C)NC(=O)c1cn[n-]n1 ZINC001357048537 969526831 /nfs/dbraw/zinc/52/68/31/969526831.db2.gz PRJJNFLUTDXWQL-LLVKDONJSA-N -1 3 293.371 1.032 10 0 CDAEHM CCC[C@H](C)CCNC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC001537137787 969647801 /nfs/dbraw/zinc/64/78/01/969647801.db2.gz AFBFCQNFFXJKDN-ZETCQYMHSA-N -1 3 268.317 1.026 10 0 CDAEHM C[C@H]1CC(=O)NN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC001463975344 969762133 /nfs/dbraw/zinc/76/21/33/969762133.db2.gz SBCWQTWCDNWDDE-VIFPVBQESA-N -1 3 280.299 1.506 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](F)c1ccccc1 ZINC001464883438 969828928 /nfs/dbraw/zinc/82/89/28/969828928.db2.gz LZOHTVVXMWHNCS-VXGBXAGGSA-N -1 3 277.299 1.325 10 0 CDAEHM Cc1cc(C=O)c([O-])c(C(=O)N(C)[C@H]2CCCN(C)C2)c1 ZINC001465546786 969882430 /nfs/dbraw/zinc/88/24/30/969882430.db2.gz BEYYRCKJTZMYNG-ZDUSSCGKSA-N -1 3 290.363 1.679 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](O)C[C@H](C)C2)c1 ZINC001469058121 970218617 /nfs/dbraw/zinc/21/86/17/970218617.db2.gz GEZHOPSAIVQPDA-JOYOIKCWSA-N -1 3 292.335 1.194 10 0 CDAEHM C[C@@H](NC(=O)NCc1ccc([O-])c(Cl)c1)c1nc[nH]n1 ZINC001471235072 970405053 /nfs/dbraw/zinc/40/50/53/970405053.db2.gz IQLDWFLSSSVFHM-SSDOTTSWSA-N -1 3 295.730 1.724 10 0 CDAEHM NC(=O)c1cccc([N-]C(=O)c2ocnc2C(F)F)n1 ZINC001361734475 970475193 /nfs/dbraw/zinc/47/51/93/970475193.db2.gz LZQJCFAQBDEFDU-UHFFFAOYSA-N -1 3 282.206 1.358 10 0 CDAEHM CC(C)(C)[C@H]1CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001472633495 970680857 /nfs/dbraw/zinc/68/08/57/970680857.db2.gz RCKHLFOPZPBFKW-GFCCVEGCSA-N -1 3 286.331 1.831 10 0 CDAEHM C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1cnncc1[O-] ZINC001361927253 970683347 /nfs/dbraw/zinc/68/33/47/970683347.db2.gz RRADCMUXHGGHLH-QMMMGPOBSA-N -1 3 281.312 1.032 10 0 CDAEHM Cc1cc(C)c(C(=O)NCCc2c(C)[n-][nH]c2=O)s1 ZINC001361926457 970684087 /nfs/dbraw/zinc/68/40/87/970684087.db2.gz RARFRCVCQJCTKD-SNVBAGLBSA-N -1 3 279.365 1.607 10 0 CDAEHM O=C([C@H]1C[C@@H]1c1ccccc1)N1CCc2nc[n-]c(=O)c2C1 ZINC001417717837 973321809 /nfs/dbraw/zinc/32/18/09/973321809.db2.gz LDKOBIXWWUEDIG-OLZOCXBDSA-N -1 3 295.342 1.871 10 0 CDAEHM CC(C)CCCN1CC(NC(=O)c2cnc[n-]c2=O)C1 ZINC001404807063 975494056 /nfs/dbraw/zinc/49/40/56/975494056.db2.gz YHCPUNFITKEXCM-UHFFFAOYSA-N -1 3 278.356 1.032 10 0 CDAEHM COC(=O)CCCO[N-]C(=O)C[C@H](C)c1cccnc1 ZINC000811559034 1163498042 /nfs/dbraw/zinc/49/80/42/1163498042.db2.gz VNZJBQYWUARHBH-NSHDSACASA-N -1 3 280.324 1.576 10 0 CDAEHM CCN(CC(=O)[N-]OCc1ccccc1)[C@H]1CCOC1 ZINC000812879177 1163747017 /nfs/dbraw/zinc/74/70/17/1163747017.db2.gz JXWOJBJQTIMCCY-AWEZNQCLSA-N -1 3 278.352 1.345 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCC[C@H]([C@@H]3CCOC3)C2)n1 ZINC000533080477 282081828 /nfs/dbraw/zinc/08/18/28/282081828.db2.gz OLPRPPKFZNDLJQ-QWHCGFSZSA-N -1 3 291.395 1.993 10 0 CDAEHM CCCCCN(CCCCC)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000049206701 342521025 /nfs/dbraw/zinc/52/10/25/342521025.db2.gz MXYBSUVRZBEUGX-LBPRGKRZSA-N -1 3 297.399 1.794 10 0 CDAEHM CC(C)(C)OC(=O)NCCc1nccc(N)c1C(=O)[O-] ZINC000095769025 185028037 /nfs/dbraw/zinc/02/80/37/185028037.db2.gz NOJVQVLKKWUCLZ-UHFFFAOYSA-N -1 3 281.312 1.429 10 0 CDAEHM C[C@@]1(CNC(=O)CNC(=O)c2cccc([O-])c2)CC1(F)F ZINC000618596897 342029070 /nfs/dbraw/zinc/02/90/70/342029070.db2.gz ZRGXLXHYULIWEP-ZDUSSCGKSA-N -1 3 298.289 1.284 10 0 CDAEHM O=C(Nc1ncccc1[O-])[C@@H]1CCCc2n[nH]cc21 ZINC000135629982 361753560 /nfs/dbraw/zinc/75/35/60/361753560.db2.gz XOUOIHARDJLLFJ-MRVPVSSYSA-N -1 3 258.281 1.569 10 0 CDAEHM O=C(Nc1ncccc1[O-])[C@@H]1CCCc2[nH]ncc21 ZINC000135629982 361753563 /nfs/dbraw/zinc/75/35/63/361753563.db2.gz XOUOIHARDJLLFJ-MRVPVSSYSA-N -1 3 258.281 1.569 10 0 CDAEHM Cc1noc(C)c1C[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000624900510 342021503 /nfs/dbraw/zinc/02/15/03/342021503.db2.gz BQOVOUDIXANXRQ-JTQLQIEISA-N -1 3 288.369 1.278 10 0 CDAEHM CC[C@@H]1C[C@@H](CC(=O)NCc2ncccc2[O-])CCO1 ZINC000331030400 361768878 /nfs/dbraw/zinc/76/88/78/361768878.db2.gz YRKLRYVPWGFKRV-NWDGAFQWSA-N -1 3 278.352 1.999 10 0 CDAEHM CO[C@@](C)(C[N-]S(=O)(=O)[C@H]1COC(C)(C)C1)C1CC1 ZINC000625224053 342043553 /nfs/dbraw/zinc/04/35/53/342043553.db2.gz MCUQRECCEBXDSG-YPMHNXCESA-N -1 3 291.413 1.288 10 0 CDAEHM O=C([O-])c1cc(CN2CC[C@H]3COC[C@H]3C2)cs1 ZINC000659800845 412491401 /nfs/dbraw/zinc/49/14/01/412491401.db2.gz BRFRALMVHUGMPC-WDEREUQCSA-N -1 3 267.350 1.915 10 0 CDAEHM CCCn1c(=O)[n-]nc1SCCCn1ccnc1 ZINC000351629032 361821415 /nfs/dbraw/zinc/82/14/15/361821415.db2.gz OMKDOCVNYNUISP-UHFFFAOYSA-N -1 3 267.358 1.773 10 0 CDAEHM CCC(CC)(CNC(=O)[C@]1(C)CCCCN1)C(=O)[O-] ZINC000133623688 342069117 /nfs/dbraw/zinc/06/91/17/342069117.db2.gz AZNFEVNYHFJELS-ZDUSSCGKSA-N -1 3 270.373 1.526 10 0 CDAEHM CN(C)c1ncccc1C[N-]S(=O)(=O)c1ccoc1 ZINC000351673285 361855395 /nfs/dbraw/zinc/85/53/95/361855395.db2.gz KGNYPUCOQCILPK-UHFFFAOYSA-N -1 3 281.337 1.219 10 0 CDAEHM CC(=O)c1ccc(C(=O)N[C@H]2C[C@@H](O)C23CCC3)cc1[O-] ZINC000619072668 349615417 /nfs/dbraw/zinc/61/54/17/349615417.db2.gz OSPLRTYJEYHWPP-UONOGXRCSA-N -1 3 289.331 1.628 10 0 CDAEHM Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)n1 ZINC000311549093 361885259 /nfs/dbraw/zinc/88/52/59/361885259.db2.gz KMIUXJPTNWMKEI-MWLCHTKSSA-N -1 3 264.325 1.638 10 0 CDAEHM Cc1ccc([O-])c(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)n1 ZINC000311549093 361885262 /nfs/dbraw/zinc/88/52/62/361885262.db2.gz KMIUXJPTNWMKEI-MWLCHTKSSA-N -1 3 264.325 1.638 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CO[C@@H](C3CC3)C2)c(F)c1 ZINC000625582134 342190281 /nfs/dbraw/zinc/19/02/81/342190281.db2.gz OSZUKKZKSNIPAF-WCQYABFASA-N -1 3 299.367 1.980 10 0 CDAEHM COC(=O)c1ccc(CN2[C@@H](C)CC[C@H]2C(=O)[O-])[nH]1 ZINC000593333932 342786252 /nfs/dbraw/zinc/78/62/52/342786252.db2.gz ZNSZULXCMJGLLF-KWQFWETISA-N -1 3 266.297 1.239 10 0 CDAEHM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000593632051 342817123 /nfs/dbraw/zinc/81/71/23/342817123.db2.gz RBGYCXKIYCFLKA-MRVPVSSYSA-N -1 3 295.357 1.236 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000625768952 342197828 /nfs/dbraw/zinc/19/78/28/342197828.db2.gz YUGTVOWZBHAOCZ-LBPRGKRZSA-N -1 3 289.253 1.840 10 0 CDAEHM COC(=O)[C@H](CCF)NC(=O)c1ccc([O-])c(C)c1 ZINC000593796267 342835161 /nfs/dbraw/zinc/83/51/61/342835161.db2.gz PCMVCXQAESPNNL-JTQLQIEISA-N -1 3 269.272 1.332 10 0 CDAEHM Cc1cccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)n1 ZINC000135548820 539076720 /nfs/dbraw/zinc/07/67/20/539076720.db2.gz KBVWMPLATHBIAD-UHFFFAOYSA-N -1 3 294.318 1.746 10 0 CDAEHM Cc1cccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)n1 ZINC000135548820 539076721 /nfs/dbraw/zinc/07/67/21/539076721.db2.gz KBVWMPLATHBIAD-UHFFFAOYSA-N -1 3 294.318 1.746 10 0 CDAEHM O=C(Cc1cccnc1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120747730 539079666 /nfs/dbraw/zinc/07/96/66/539079666.db2.gz DCYQRYKASNYXDQ-UHFFFAOYSA-N -1 3 294.318 1.367 10 0 CDAEHM O=C(Cc1cccnc1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120747730 539079667 /nfs/dbraw/zinc/07/96/67/539079667.db2.gz DCYQRYKASNYXDQ-UHFFFAOYSA-N -1 3 294.318 1.367 10 0 CDAEHM Cc1[nH]ccc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120810413 539079737 /nfs/dbraw/zinc/07/97/37/539079737.db2.gz JJZUQZHVYYAVOD-UHFFFAOYSA-N -1 3 282.307 1.679 10 0 CDAEHM Cc1[nH]ccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120810413 539079738 /nfs/dbraw/zinc/07/97/38/539079738.db2.gz JJZUQZHVYYAVOD-UHFFFAOYSA-N -1 3 282.307 1.679 10 0 CDAEHM Cn1cc(Br)c(=NC(=O)[C@H]2CCC2(C)C)[n-]1 ZINC000622889016 342266421 /nfs/dbraw/zinc/26/64/21/342266421.db2.gz ZPVQSVNVPVQGSO-SSDOTTSWSA-N -1 3 286.173 1.979 10 0 CDAEHM COC[C@@H](CCO)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000281623278 539129220 /nfs/dbraw/zinc/12/92/20/539129220.db2.gz QBHBFZNTULZTJI-CYBMUJFWSA-N -1 3 289.331 1.673 10 0 CDAEHM C[C@H](NC(=O)c1cccc2nn[n-]c21)[C@@H]1CCCO1 ZINC000182704027 539142993 /nfs/dbraw/zinc/14/29/93/539142993.db2.gz OQZNJIBSJLIPEU-KWQFWETISA-N -1 3 260.297 1.255 10 0 CDAEHM C[C@H](NC(=O)c1cccc2[n-]nnc21)[C@@H]1CCCO1 ZINC000182704027 539142994 /nfs/dbraw/zinc/14/29/94/539142994.db2.gz OQZNJIBSJLIPEU-KWQFWETISA-N -1 3 260.297 1.255 10 0 CDAEHM C[C@H](NC(=O)c1cccc2n[n-]nc21)[C@@H]1CCCO1 ZINC000182704027 539142995 /nfs/dbraw/zinc/14/29/95/539142995.db2.gz OQZNJIBSJLIPEU-KWQFWETISA-N -1 3 260.297 1.255 10 0 CDAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000534264624 282171414 /nfs/dbraw/zinc/17/14/14/282171414.db2.gz ZPJOVXZZLJVKFC-QCNOEVLYSA-N -1 3 293.367 1.060 10 0 CDAEHM CCC[C@H](N)C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000040480943 539147588 /nfs/dbraw/zinc/14/75/88/539147588.db2.gz JGTHTLQQEPAWTI-LBPRGKRZSA-N -1 3 276.336 1.791 10 0 CDAEHM COc1cncc(CN(CC(=O)[O-])CC(C)(C)C)n1 ZINC000629492264 362104027 /nfs/dbraw/zinc/10/40/27/362104027.db2.gz MWALNOAWMRWMRP-UHFFFAOYSA-N -1 3 267.329 1.418 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cc(F)cc3[n-]nnc32)C[C@@H](C)C1O ZINC000618274793 342341733 /nfs/dbraw/zinc/34/17/33/342341733.db2.gz XKZULXMLZFTXEY-HTQZYQBOSA-N -1 3 292.314 1.186 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cc(F)cc3nn[n-]c32)C[C@@H](C)C1O ZINC000618274793 342341734 /nfs/dbraw/zinc/34/17/34/342341734.db2.gz XKZULXMLZFTXEY-HTQZYQBOSA-N -1 3 292.314 1.186 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cc(F)cc3n[n-]nc32)C[C@@H](C)C1O ZINC000618274793 342341735 /nfs/dbraw/zinc/34/17/35/342341735.db2.gz XKZULXMLZFTXEY-HTQZYQBOSA-N -1 3 292.314 1.186 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)NCCO[C@H]1CC1(F)F ZINC000618121241 342355074 /nfs/dbraw/zinc/35/50/74/342355074.db2.gz HVUIRTDXJGFMFP-NSHDSACASA-N -1 3 289.253 1.614 10 0 CDAEHM CCc1ccc([O-])c(C(=O)NC[C@H](O)C(F)(F)F)c1 ZINC000081854002 342374565 /nfs/dbraw/zinc/37/45/65/342374565.db2.gz FAGBFVMGGFZXRC-JTQLQIEISA-N -1 3 277.242 1.608 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc[nH]2)c1 ZINC000089352228 342389775 /nfs/dbraw/zinc/38/97/75/342389775.db2.gz GVKIVZICKOEGNV-UHFFFAOYSA-N -1 3 287.319 1.651 10 0 CDAEHM COc1cccc(OC)c1S(=O)(=O)[N-]CC(C)(C)F ZINC000632609192 362179178 /nfs/dbraw/zinc/17/91/78/362179178.db2.gz YLRGBFKXPXOUAF-UHFFFAOYSA-N -1 3 291.344 1.730 10 0 CDAEHM COc1ccc(COc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000095191709 342430759 /nfs/dbraw/zinc/43/07/59/342430759.db2.gz BBSBWICKBMKJKM-UHFFFAOYSA-N -1 3 283.291 1.849 10 0 CDAEHM COc1ccc(COc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000095191709 342430760 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CCC(CC)CCCN(C)C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000620200436 350090071 /nfs/dbraw/zinc/09/00/71/350090071.db2.gz YOGWHAVTWFPQEI-UHFFFAOYSA-N -1 3 295.383 1.774 10 0 CDAEHM Cc1cccc(C(=O)N2CCc3nccnc3C2)c1[O-] ZINC000620424113 350178313 /nfs/dbraw/zinc/17/83/13/350178313.db2.gz RSXJYJOUCVNRGU-UHFFFAOYSA-N -1 3 269.304 1.689 10 0 CDAEHM C[C@]1(C(F)F)CN(C(=O)c2ccccc2[O-])CCO1 ZINC000621199197 350483500 /nfs/dbraw/zinc/48/35/00/350483500.db2.gz OTQKNQPHPVSHMS-CYBMUJFWSA-N -1 3 271.263 1.888 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2Cc2cncc(Cl)c2)nc1=N ZINC000621289515 350525685 /nfs/dbraw/zinc/52/56/85/350525685.db2.gz IZIRMYYIKOHCDX-NSHDSACASA-N -1 3 292.774 1.613 10 0 CDAEHM CCc1cc(C(=O)NCCCn2ccnn2)ccc1[O-] ZINC000487009578 365992835 /nfs/dbraw/zinc/99/28/35/365992835.db2.gz FHTKXKXRIUCGAZ-UHFFFAOYSA-N -1 3 274.324 1.366 10 0 CDAEHM O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1cc(F)c[n-]c1=O ZINC000621923455 350861385 /nfs/dbraw/zinc/86/13/85/350861385.db2.gz NBQHZGVFTHJYGA-GWCFXTLKSA-N -1 3 296.342 1.987 10 0 CDAEHM 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CDAEHM CC(C)[C@@H](O)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000157771350 188337254 /nfs/dbraw/zinc/33/72/54/188337254.db2.gz ABHMQVRDNFPKSN-AWEZNQCLSA-N -1 3 274.320 1.275 10 0 CDAEHM CCNC(=O)N1CC[C@@H](NC(=O)c2cc(C)ccc2[O-])C1 ZINC000158004802 188351349 /nfs/dbraw/zinc/35/13/49/188351349.db2.gz UPVJQOVGYMEEEG-LLVKDONJSA-N -1 3 291.351 1.234 10 0 CDAEHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)[C@H](C)CO)c1 ZINC000158807158 188394897 /nfs/dbraw/zinc/39/48/97/188394897.db2.gz VWPPKUQQALZVGA-NXEZZACHSA-N -1 3 275.345 1.429 10 0 CDAEHM Cn1ncc2c1nc(CN1CCOc3ccccc31)[n-]c2=O ZINC000065422656 363240133 /nfs/dbraw/zinc/24/01/33/363240133.db2.gz BLVNHGGCWYAGPN-UHFFFAOYSA-N -1 3 297.318 1.056 10 0 CDAEHM Cc1ccc([O-])c(CN[C@@H]2CCCc3c2cnn3C)n1 ZINC000112716601 366126505 /nfs/dbraw/zinc/12/65/05/366126505.db2.gz YWOWFEUQXSGKRY-GFCCVEGCSA-N -1 3 272.352 1.996 10 0 CDAEHM O=C(NCC[N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC000175873058 366196162 /nfs/dbraw/zinc/19/61/62/366196162.db2.gz XXERFODLVGJMKU-UHFFFAOYSA-N -1 3 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Cn1ccnc1-c1cc(NC(=O)CC2(O)CCCC2)[n-]n1 ZINC000119819823 359248080 /nfs/dbraw/zinc/24/80/80/359248080.db2.gz PLSQLFQVCMSPBL-UHFFFAOYSA-N -1 3 289.339 1.444 10 0 CDAEHM COC[C@H]1CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000354050725 359308653 /nfs/dbraw/zinc/30/86/53/359308653.db2.gz ZETFWLUVTABDLW-SNVBAGLBSA-N -1 3 272.304 1.389 10 0 CDAEHM Cc1csc2c1ncnc2Sc1nnc(CO)[n-]1 ZINC000225459780 359591044 /nfs/dbraw/zinc/59/10/44/359591044.db2.gz BLHRFDZSRFAYAS-UHFFFAOYSA-N -1 3 279.350 1.761 10 0 CDAEHM Cc1csc2c1ncnc2Sc1n[n-]c(CO)n1 ZINC000225459780 359591052 /nfs/dbraw/zinc/59/10/52/359591052.db2.gz BLHRFDZSRFAYAS-UHFFFAOYSA-N -1 3 279.350 1.761 10 0 CDAEHM COc1cc(C[N-]S(=O)(=O)CCC(C)(C)C)on1 ZINC000660011236 412689286 /nfs/dbraw/zinc/68/92/86/412689286.db2.gz GBBZYEPAJGKSAQ-UHFFFAOYSA-N -1 3 276.358 1.539 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc3[n-]nnc32)C[C@@H](C)C1O ZINC000618272205 359700573 /nfs/dbraw/zinc/70/05/73/359700573.db2.gz JDHQFFLBXDWXJU-RKDXNWHRSA-N -1 3 274.324 1.047 10 0 CDAEHM 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/nfs/dbraw/zinc/51/12/60/378511260.db2.gz LUGNHVYWTOSRJE-MGCOHNPYSA-N -1 3 279.340 1.720 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(=O)[nH]1)C1CCC2(CC2)CC1 ZINC000633521696 378512852 /nfs/dbraw/zinc/51/28/52/378512852.db2.gz URYUYWOJAPNZAI-UHFFFAOYSA-N -1 3 277.324 1.474 10 0 CDAEHM COc1cc(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)ccc1[O-] ZINC000442666259 249933787 /nfs/dbraw/zinc/93/37/87/249933787.db2.gz QELWVICYSDMDMM-GXSJLCMTSA-N -1 3 292.335 1.175 10 0 CDAEHM C[C@@H]1C[C@@H](NC(=O)c2cccc3nn[n-]c32)[C@H](C)O1 ZINC000634026518 378964101 /nfs/dbraw/zinc/96/41/01/378964101.db2.gz ORXNQWFKJOJBGH-VHSKPIJISA-N -1 3 260.297 1.254 10 0 CDAEHM C[C@@H]1C[C@@H](NC(=O)c2cccc3[n-]nnc32)[C@H](C)O1 ZINC000634026518 378964105 /nfs/dbraw/zinc/96/41/05/378964105.db2.gz ORXNQWFKJOJBGH-VHSKPIJISA-N -1 3 260.297 1.254 10 0 CDAEHM C[C@@H]1C[C@@H](NC(=O)c2cccc3n[n-]nc32)[C@H](C)O1 ZINC000634026518 378964106 /nfs/dbraw/zinc/96/41/06/378964106.db2.gz ORXNQWFKJOJBGH-VHSKPIJISA-N -1 3 260.297 1.254 10 0 CDAEHM CSc1nnc(NC(=O)[C@@H]2CCOC[C@H]2C)[n-]1 ZINC000444138671 250086848 /nfs/dbraw/zinc/08/68/48/250086848.db2.gz GYMPDACLVKYWPL-RNFRBKRXSA-N -1 3 256.331 1.138 10 0 CDAEHM CSc1n[n-]c(NC(=O)[C@@H]2CCOC[C@H]2C)n1 ZINC000444138671 250086851 /nfs/dbraw/zinc/08/68/51/250086851.db2.gz GYMPDACLVKYWPL-RNFRBKRXSA-N -1 3 256.331 1.138 10 0 CDAEHM CSc1nc(NC(=O)[C@@H]2CCOC[C@H]2C)n[n-]1 ZINC000444138671 250086855 /nfs/dbraw/zinc/08/68/55/250086855.db2.gz GYMPDACLVKYWPL-RNFRBKRXSA-N -1 3 256.331 1.138 10 0 CDAEHM COc1ccc(O)cc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000444241384 250106842 /nfs/dbraw/zinc/10/68/42/250106842.db2.gz SUTYGSZZMWUMAW-UHFFFAOYSA-N -1 3 291.263 1.163 10 0 CDAEHM C[C@@H](CC1CCCCC1)NC(=O)CN1CC(=O)[N-]C1=O ZINC000446479193 250294595 /nfs/dbraw/zinc/29/45/95/250294595.db2.gz DGNHSYQEXFHONB-JTQLQIEISA-N -1 3 281.356 1.013 10 0 CDAEHM Cc1cc(CN2CCC(c3n[nH]c(=O)[n-]3)CC2)nc(C)n1 ZINC000660448690 412910007 /nfs/dbraw/zinc/91/00/07/412910007.db2.gz HNAXGLJEXYAEOR-UHFFFAOYSA-N -1 3 288.355 1.297 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@@](C)(C(F)F)C2)n1 ZINC000662368651 412931106 /nfs/dbraw/zinc/93/11/06/412931106.db2.gz FEWDXOLUYLYYSP-NOZJJQNGSA-N -1 3 287.310 1.908 10 0 CDAEHM COC(=O)c1cc(C(=O)N=c2cc(CC(C)C)[nH][nH]2)c[n-]1 ZINC000449846121 251046219 /nfs/dbraw/zinc/04/62/19/251046219.db2.gz VSOIPPPOTWOVTI-UHFFFAOYSA-N -1 3 290.323 1.397 10 0 CDAEHM Cc1cc(C(=O)NC[C@@H](CO)c2cccnc2)ccc1[O-] ZINC000490086961 253028065 /nfs/dbraw/zinc/02/80/65/253028065.db2.gz CZZJCDSRMHAHLU-AWEZNQCLSA-N -1 3 286.331 1.602 10 0 CDAEHM COC(=O)C1([N-]S(=O)(=O)Cc2ccc(C)c(C)c2)CC1 ZINC000289261802 197278046 /nfs/dbraw/zinc/27/80/46/197278046.db2.gz VIHBPMKBBJCHAM-UHFFFAOYSA-N -1 3 297.376 1.428 10 0 CDAEHM CCc1noc(C)c1CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000288773570 197162072 /nfs/dbraw/zinc/16/20/72/197162072.db2.gz BFHUISSGYZEDHI-SNVBAGLBSA-N -1 3 291.355 1.336 10 0 CDAEHM O=c1[n-]nc2n1c1ccsc1c(=O)n2Cc1ccccc1 ZINC000064775134 285203187 /nfs/dbraw/zinc/20/31/87/285203187.db2.gz MEHQTOINMNSJLN-UHFFFAOYSA-N -1 3 298.327 1.447 10 0 CDAEHM COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)c1cccc([O-])c1 ZINC000360990889 291933934 /nfs/dbraw/zinc/93/39/34/291933934.db2.gz RVUGEICRPMABDD-QWHCGFSZSA-N -1 3 293.319 1.185 10 0 CDAEHM C[C@H]1CCC[C@](N)(C(=O)N2CCC(CCC(=O)[O-])CC2)C1 ZINC000080930606 177731886 /nfs/dbraw/zinc/73/18/86/177731886.db2.gz CANCSIQRVCARCW-BLLLJJGKSA-N -1 3 296.411 1.997 10 0 CDAEHM CCc1ncc(C[N-]S(=O)(=O)C[C@@H](OC)C2CC2)o1 ZINC000517736051 390135541 /nfs/dbraw/zinc/13/55/41/390135541.db2.gz HFDUHIMKLNLDDH-LLVKDONJSA-N -1 3 288.369 1.081 10 0 CDAEHM Cc1ncc2c(ccn(-c3ccccc3[O-])c2=O)n1 ZINC000072416346 390607834 /nfs/dbraw/zinc/60/78/34/390607834.db2.gz MWTSHPWSIBYGJN-UHFFFAOYSA-N -1 3 253.261 1.795 10 0 CDAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccnc(C2CC2)n1 ZINC000527499831 391023431 /nfs/dbraw/zinc/02/34/31/391023431.db2.gz AGUKYPHPGKBOQC-GFCCVEGCSA-N -1 3 299.334 1.603 10 0 CDAEHM O=C(COc1ccccc1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527500411 391024592 /nfs/dbraw/zinc/02/45/92/391024592.db2.gz CVXQJPJQXZDZAK-CYBMUJFWSA-N -1 3 287.319 1.701 10 0 CDAEHM O=C(CC[C@H]1CCCCO1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527208512 391002311 /nfs/dbraw/zinc/00/23/11/391002311.db2.gz NKZHPPFBPTZARP-YPMHNXCESA-N -1 3 293.367 1.971 10 0 CDAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(Cl)cn1 ZINC000527209659 391003245 /nfs/dbraw/zinc/00/32/45/391003245.db2.gz XVLOVLWNKMMXJB-LLVKDONJSA-N -1 3 292.726 1.984 10 0 CDAEHM Cc1ccc(C(=O)N2CC[C@H](N3CCOCC3)C2)c([O-])c1 ZINC000105569951 391064596 /nfs/dbraw/zinc/06/45/96/391064596.db2.gz MIUQZYCTOKMIDM-ZDUSSCGKSA-N -1 3 290.363 1.247 10 0 CDAEHM COc1cccc(C(=O)N2CC(n3ccnc3)C2)c1[O-] ZINC000531180827 391175639 /nfs/dbraw/zinc/17/56/39/391175639.db2.gz XWUSHBWXFWICNP-UHFFFAOYSA-N -1 3 273.292 1.294 10 0 CDAEHM C[C@H]1CN(C(=O)c2cc(F)ccc2[O-])[C@@H](C)CN1CCO ZINC000416309455 391270287 /nfs/dbraw/zinc/27/02/87/391270287.db2.gz NDBPSGVRQMKNST-QWRGUYRKSA-N -1 3 296.342 1.058 10 0 CDAEHM O=C(CCc1ccoc1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352983676 391319432 /nfs/dbraw/zinc/31/94/32/391319432.db2.gz IWXDXZBKIIRKFM-GFCCVEGCSA-N -1 3 275.308 1.847 10 0 CDAEHM CC(C)OCC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352983715 391319720 /nfs/dbraw/zinc/31/97/20/391319720.db2.gz JIUBGHWBKHRUHW-SNVBAGLBSA-N -1 3 253.302 1.047 10 0 CDAEHM CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(-c2ncon2)c1 ZINC000193323002 391458218 /nfs/dbraw/zinc/45/82/18/391458218.db2.gz YTPQNUMAQMXYFF-VIFPVBQESA-N -1 3 297.336 1.513 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2CCC(=O)c3ccccc32)[n-]1 ZINC000285717072 391497886 /nfs/dbraw/zinc/49/78/86/391497886.db2.gz RYMCAHMLMUSEIR-SNVBAGLBSA-N -1 3 286.291 1.512 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2CCC(=O)c3ccccc32)n[n-]1 ZINC000285717072 391497888 /nfs/dbraw/zinc/49/78/88/391497888.db2.gz RYMCAHMLMUSEIR-SNVBAGLBSA-N -1 3 286.291 1.512 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2CCC(=O)c3ccccc32)n1 ZINC000285717072 391497890 /nfs/dbraw/zinc/49/78/90/391497890.db2.gz RYMCAHMLMUSEIR-SNVBAGLBSA-N -1 3 286.291 1.512 10 0 CDAEHM CC(C)C[C@H](CNC(=O)c1c[n-]nn1)C(=O)OC(C)(C)C ZINC000424953278 391622906 /nfs/dbraw/zinc/62/29/06/391622906.db2.gz MCPNAKPCPFGVQT-SNVBAGLBSA-N -1 3 296.371 1.539 10 0 CDAEHM CC(C)C[C@H](CNC(=O)c1cnn[n-]1)C(=O)OC(C)(C)C ZINC000424953278 391622910 /nfs/dbraw/zinc/62/29/10/391622910.db2.gz MCPNAKPCPFGVQT-SNVBAGLBSA-N -1 3 296.371 1.539 10 0 CDAEHM CC(C)C[C@H](CNC(=O)c1cn[n-]n1)C(=O)OC(C)(C)C ZINC000424953278 391622911 /nfs/dbraw/zinc/62/29/11/391622911.db2.gz MCPNAKPCPFGVQT-SNVBAGLBSA-N -1 3 296.371 1.539 10 0 CDAEHM Cc1cccc(C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)c1[O-] ZINC000286077688 391574670 /nfs/dbraw/zinc/57/46/70/391574670.db2.gz WWBOKADDKSQRDM-DGCLKSJQSA-N -1 3 295.379 1.588 10 0 CDAEHM CCCCOc1ccc(C(=O)N[C@@H](C)C(N)=O)c([O-])c1 ZINC000190039309 391596933 /nfs/dbraw/zinc/59/69/33/391596933.db2.gz SUCNXOHTKJZOAA-VIFPVBQESA-N -1 3 280.324 1.175 10 0 CDAEHM CC(C)n1c([C@H]2CCOC2)n[n-]c1=NC(C)(C)C ZINC000408467234 391656783 /nfs/dbraw/zinc/65/67/83/391656783.db2.gz OAFODDFCFWSXAA-JTQLQIEISA-N -1 3 252.362 1.995 10 0 CDAEHM CN(C(=O)c1ccc2n[n-]nc2c1)c1nncs1 ZINC000361286356 391687265 /nfs/dbraw/zinc/68/72/65/391687265.db2.gz GSAGFDKCVOCGBD-UHFFFAOYSA-N -1 3 260.282 1.086 10 0 CDAEHM C[C@@H]1CCCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)[C@H]1C ZINC000407993646 391810813 /nfs/dbraw/zinc/81/08/13/391810813.db2.gz ZWCGVMKWNORQTC-ZJUUUORDSA-N -1 3 278.356 1.509 10 0 CDAEHM O=C(C[C@H]1C=CCC1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000525967050 392008232 /nfs/dbraw/zinc/00/82/32/392008232.db2.gz MXNVRGQEEOIHGX-JQWIXIFHSA-N -1 3 261.325 1.978 10 0 CDAEHM C[C@@H]1C[C@H](N=c2[n-]nc(C3CCOCC3)s2)CCN1C ZINC000549524682 391943572 /nfs/dbraw/zinc/94/35/72/391943572.db2.gz NTESVYYRVQKWNT-ZYHUDNBSSA-N -1 3 296.440 1.749 10 0 CDAEHM C[C@@]1(Br)C[C@H]1C(=O)N=c1cc2ccccn2[n-]1 ZINC000529358505 392358741 /nfs/dbraw/zinc/35/87/41/392358741.db2.gz HCIOOHOUWHUYQX-JOYOIKCWSA-N -1 3 294.152 1.868 10 0 CDAEHM Cc1ccc(C(=O)NCCC(=O)NC[C@@H]2C[C@@H]2C)c([O-])c1 ZINC000263979755 131372936 /nfs/dbraw/zinc/37/29/36/131372936.db2.gz YZHJPINSSATEHJ-RYUDHWBXSA-N -1 3 290.363 1.593 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000645873164 392439358 /nfs/dbraw/zinc/43/93/58/392439358.db2.gz YQOZBSARTASAIC-IJLUTSLNSA-N -1 3 296.392 1.947 10 0 CDAEHM Cc1cccc(CCN2CCC[C@H]2c2nc(=N)n(C)[n-]2)n1 ZINC000645897367 392501465 /nfs/dbraw/zinc/50/14/65/392501465.db2.gz JKJFIGVXLFJMEE-ZDUSSCGKSA-N -1 3 286.383 1.311 10 0 CDAEHM Cc1ccc(CN(C)CCOCC(=O)[O-])cc1C ZINC000574054833 392502940 /nfs/dbraw/zinc/50/29/40/392502940.db2.gz LTTHUMRBWCRLLO-UHFFFAOYSA-N -1 3 251.326 1.836 10 0 CDAEHM CCCc1cc(=NC(=O)Cc2ccc([O-])c(F)c2)[nH][nH]1 ZINC000448949796 392578466 /nfs/dbraw/zinc/57/84/66/392578466.db2.gz JVIHDMQZULERRV-UHFFFAOYSA-N -1 3 277.299 1.810 10 0 CDAEHM COc1nnc(NC(=O)COc2ccc(Cl)cc2)[n-]1 ZINC000126788848 392587905 /nfs/dbraw/zinc/58/79/05/392587905.db2.gz TYEHMMOSRYHPCL-UHFFFAOYSA-N -1 3 282.687 1.484 10 0 CDAEHM COc1nc(NC(=O)COc2ccc(Cl)cc2)n[n-]1 ZINC000126788848 392587910 /nfs/dbraw/zinc/58/79/10/392587910.db2.gz TYEHMMOSRYHPCL-UHFFFAOYSA-N -1 3 282.687 1.484 10 0 CDAEHM COc1n[n-]c(NC(=O)COc2ccc(Cl)cc2)n1 ZINC000126788848 392587913 /nfs/dbraw/zinc/58/79/13/392587913.db2.gz TYEHMMOSRYHPCL-UHFFFAOYSA-N -1 3 282.687 1.484 10 0 CDAEHM O=S(=O)([N-]CCC[C@H]1CCCC[C@H]1O)c1c[nH]cn1 ZINC000127930162 392635196 /nfs/dbraw/zinc/63/51/96/392635196.db2.gz MHTMOEDGDNIOIV-GHMZBOCLSA-N -1 3 287.385 1.019 10 0 CDAEHM O=C([N-]C[C@H](CO)c1ccccc1)C(F)(F)C(F)F ZINC000269160652 132122809 /nfs/dbraw/zinc/12/28/09/132122809.db2.gz SRENABFEQPXQCR-SECBINFHSA-N -1 3 279.233 1.779 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1nccn2ccnc12 ZINC000649229072 393121456 /nfs/dbraw/zinc/12/14/56/393121456.db2.gz LQOJBWZPEDMWNK-UHFFFAOYSA-N -1 3 284.323 1.558 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1c[nH]c(=O)cc1C ZINC000649231464 393130282 /nfs/dbraw/zinc/13/02/82/393130282.db2.gz 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COC(C)(C)[C@H](C)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000928597998 933165047 /nfs/dbraw/zinc/16/50/47/933165047.db2.gz HBDKRNLNOHZSEY-QMMMGPOBSA-N -1 3 281.308 1.664 10 0 CDAEHM CCN(C[C@H](C)C(=O)c1ccc([O-])cc1)[C@H]1CCNC1=O ZINC000930325432 933359094 /nfs/dbraw/zinc/35/90/94/933359094.db2.gz OTEPJIYVLBCDQF-FZMZJTMJSA-N -1 3 290.363 1.421 10 0 CDAEHM CCCn1cc(CN[C@H](C(=O)[O-])C(C)(C)CC)nn1 ZINC001119611454 937739037 /nfs/dbraw/zinc/73/90/37/937739037.db2.gz IDCVIDKMNSPJOA-LLVKDONJSA-N -1 3 268.361 1.667 10 0 CDAEHM C[C@H]1[C@@H](NC(=O)c2ccc(Cl)cc2[O-])CCN1C ZINC000719337361 934849125 /nfs/dbraw/zinc/84/91/25/934849125.db2.gz MCSZFIIJSCFCLY-KWQFWETISA-N -1 3 268.744 1.868 10 0 CDAEHM COc1ccc(F)cc1CN1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721153524 935317305 /nfs/dbraw/zinc/31/73/05/935317305.db2.gz NJWCQQHJCUNFQA-SCRDCRAPSA-N -1 3 279.311 1.987 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCCOCC2)c1 ZINC001123750028 936213038 /nfs/dbraw/zinc/21/30/38/936213038.db2.gz BROQLJLYGSUQGA-UHFFFAOYSA-N -1 3 290.319 1.379 10 0 CDAEHM O=S(=O)([N-][C@@H]1CCC[C@@H](CO)C1)c1cccnc1F ZINC000401830005 940881752 /nfs/dbraw/zinc/88/17/52/940881752.db2.gz NKOWCDNUNURBAN-NXEZZACHSA-N -1 3 288.344 1.050 10 0 CDAEHM O=S(=O)([N-]CCC[C@H]1CCOC1)c1cccnc1F ZINC000401829478 940882152 /nfs/dbraw/zinc/88/21/52/940882152.db2.gz MQQXWENDOGISJT-JTQLQIEISA-N -1 3 288.344 1.316 10 0 CDAEHM C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1cccnc1F ZINC000401856695 940883297 /nfs/dbraw/zinc/88/32/97/940883297.db2.gz ZDOAWUKFKARSJD-HTQZYQBOSA-N -1 3 276.358 1.251 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1coc(C2CCC2)n1 ZINC001362078935 970857377 /nfs/dbraw/zinc/85/73/77/970857377.db2.gz SZVZYVLCPQRQFF-SNVBAGLBSA-N -1 3 290.323 1.184 10 0 CDAEHM CC(C)=CC(=O)N[C@H](C)CN(C)C(=O)c1ccccc1[O-] ZINC001280977694 942516070 /nfs/dbraw/zinc/51/60/70/942516070.db2.gz PKHUKAAQKJPLAD-GFCCVEGCSA-N -1 3 290.363 1.935 10 0 CDAEHM Cc1ccnc(C(=O)N=c2cc(-c3cccnc3)[n-][nH]2)n1 ZINC000352237550 948415076 /nfs/dbraw/zinc/41/50/76/948415076.db2.gz LUUXRRPDHDOMFF-UHFFFAOYSA-N -1 3 280.291 1.244 10 0 CDAEHM O=C(COCc1cc[nH]c(=O)c1)Nc1ncccc1[O-] ZINC001362645278 971490006 /nfs/dbraw/zinc/49/00/06/971490006.db2.gz CCZVQOFYIXZUQE-UHFFFAOYSA-N -1 3 275.264 1.043 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc([O-])c2F)C[C@H](C)N1CCO ZINC001362964152 971767499 /nfs/dbraw/zinc/76/74/99/971767499.db2.gz CRDUVYQOMCRQJS-PHIMTYICSA-N -1 3 296.342 1.058 10 0 CDAEHM C/C=C(/C)C(=O)NC[C@H](CC(C)C)NC(=O)c1cn[n-]n1 ZINC001285257413 953430067 /nfs/dbraw/zinc/43/00/67/953430067.db2.gz VPVCRHSOCJHTFQ-VQNWOSHQSA-N -1 3 293.371 1.032 10 0 CDAEHM C[C@@H](NC(=O)[C@@H]1CC1(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001363743422 953733886 /nfs/dbraw/zinc/73/38/86/953733886.db2.gz WNENPPITNJZBMB-DMTCNVIQSA-N -1 3 284.188 1.656 10 0 CDAEHM CC(C)OC(=O)CCN1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001363806781 953832222 /nfs/dbraw/zinc/83/22/22/953832222.db2.gz GNLJFKICPXFLHG-UHFFFAOYSA-N -1 3 291.351 1.717 10 0 CDAEHM CCc1cccc(C(=O)N2CC[C@@]23CCOC3)c1[O-] ZINC001325489277 953927469 /nfs/dbraw/zinc/92/74/69/953927469.db2.gz KACJHCSRTWWCLO-HNNXBMFYSA-N -1 3 261.321 1.960 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(F)c(C)c1N ZINC001294364775 954496849 /nfs/dbraw/zinc/49/68/49/954496849.db2.gz FWOIBKPMLRXHPZ-UHFFFAOYSA-N -1 3 292.270 1.478 10 0 CDAEHM CC(=O)c1cccc(NC(=O)C=Cc2cnn(C)c2)c1[O-] ZINC001298744027 955238429 /nfs/dbraw/zinc/23/84/29/955238429.db2.gz DQRCYNKOMWWVMV-VOTSOKGWSA-N -1 3 285.303 1.980 10 0 CDAEHM C[C@H](NC(=O)c1cnn(C)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001365022813 955511031 /nfs/dbraw/zinc/51/10/31/955511031.db2.gz DSPKFHVWOIKVFD-YFKPBYRVSA-N -1 3 288.233 1.048 10 0 CDAEHM COC(=O)Nc1ccc(C(=O)OC[C@H](O)C(C)C)cc1[O-] ZINC001330175881 956305563 /nfs/dbraw/zinc/30/55/63/956305563.db2.gz VMRVBBQZUNLPHT-LBPRGKRZSA-N -1 3 297.307 1.744 10 0 CDAEHM CN(Cc1ccns1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC001363473918 972191988 /nfs/dbraw/zinc/19/19/88/972191988.db2.gz GPORCICSLUSFQV-UHFFFAOYSA-N -1 3 292.316 1.850 10 0 CDAEHM O=C([O-])C1=CC[C@@H](NCc2cc3n(n2)CCCC3)C1 ZINC001331925735 957340986 /nfs/dbraw/zinc/34/09/86/957340986.db2.gz ZEQHHSMSYWHZLV-LLVKDONJSA-N -1 3 261.325 1.482 10 0 CDAEHM Cn1ncc(C(F)(F)F)c1CN[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC001332473047 957578030 /nfs/dbraw/zinc/57/80/30/957578030.db2.gz CUWMCZALJSFAJR-SFYZADRCSA-N -1 3 289.257 1.558 10 0 CDAEHM O=C([O-])Cc1ccc(CCNCc2cc[nH]n2)cc1 ZINC001332485592 957585103 /nfs/dbraw/zinc/58/51/03/957585103.db2.gz BHLZYGDNJYNUNA-UHFFFAOYSA-N -1 3 259.309 1.369 10 0 CDAEHM C[C@@H](NC(=O)NCC1(C(=O)[O-])CCC1)C1=CCN(C)CC1 ZINC001333525360 958399860 /nfs/dbraw/zinc/39/98/60/958399860.db2.gz XZMJADQWZOYIOG-LLVKDONJSA-N -1 3 295.383 1.191 10 0 CDAEHM CCCCCC(=O)NC[C@H]1C[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001335710198 959986282 /nfs/dbraw/zinc/98/62/82/959986282.db2.gz FRXIMFHSXVGJIW-XYPYZODXSA-N -1 3 293.371 1.010 10 0 CDAEHM Cc1cc([C@@](C)(O)CNC(=O)c2cnncc2[O-])c(C)o1 ZINC001433739043 960571584 /nfs/dbraw/zinc/57/15/84/960571584.db2.gz ZICQCGRXYAIAHZ-AWEZNQCLSA-N -1 3 291.307 1.030 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCc3cc(O)ccc3C2)n1 ZINC001434494516 961534598 /nfs/dbraw/zinc/53/45/98/961534598.db2.gz DQQXOMVRVMTEGU-UHFFFAOYSA-N -1 3 271.320 1.755 10 0 CDAEHM CCOc1nc(C(=O)[N-]c2n[nH]c(C(C)C)n2)co1 ZINC001338266660 961721928 /nfs/dbraw/zinc/72/19/28/961721928.db2.gz AQOVOFVCRLCRKN-UHFFFAOYSA-N -1 3 265.273 1.567 10 0 CDAEHM Cc1nocc1CNCCc1nc(C(=O)[O-])cs1 ZINC001339137333 962195172 /nfs/dbraw/zinc/19/51/72/962195172.db2.gz VYORLNKGGDIXHX-UHFFFAOYSA-N -1 3 267.310 1.470 10 0 CDAEHM O=C([O-])[C@H](O)CNCc1ccccc1OCC1CC1 ZINC001339254544 962272192 /nfs/dbraw/zinc/27/21/92/962272192.db2.gz NWLHDKYOGAXQHE-GFCCVEGCSA-N -1 3 265.309 1.011 10 0 CDAEHM O=C(Nc1cc(F)ccn1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001559011172 965390778 /nfs/dbraw/zinc/39/07/78/965390778.db2.gz BWVQJKWPVDFQEC-UHFFFAOYSA-N -1 3 285.234 1.357 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@@H](C)c1ccco1 ZINC001443448781 965469656 /nfs/dbraw/zinc/46/96/56/965469656.db2.gz XPRVCXRZTPZLGE-KOLCDFICSA-N -1 3 277.324 1.401 10 0 CDAEHM O=C(NCCC1CCOCC1)c1cc(F)cc2n[n-]nc21 ZINC001444134671 965741495 /nfs/dbraw/zinc/74/14/95/965741495.db2.gz CODJBQPDDSNXIB-UHFFFAOYSA-N -1 3 292.314 1.644 10 0 CDAEHM O=C(/C=C/Cn1cncn1)Nc1cccc([O-])c1F ZINC001446242793 966492971 /nfs/dbraw/zinc/49/29/71/966492971.db2.gz UAIXTEZJVBPVLT-GORDUTHDSA-N -1 3 262.244 1.318 10 0 CDAEHM Cn1ncc(CNC2CC(CC(=O)[O-])C2)c1Cl ZINC001350666143 966730762 /nfs/dbraw/zinc/73/07/62/966730762.db2.gz DUBKCCQQGUSYKL-UHFFFAOYSA-N -1 3 257.721 1.416 10 0 CDAEHM Cc1cccc([O-])c1C(=O)NCCNC(=O)c1cccnc1 ZINC001540815469 967175030 /nfs/dbraw/zinc/17/50/30/967175030.db2.gz PFBXPCUZOWGXAQ-UHFFFAOYSA-N -1 3 299.330 1.255 10 0 CDAEHM Cc1ccc(F)c(N)c1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC001545220784 967411870 /nfs/dbraw/zinc/41/18/70/967411870.db2.gz AVAFOWCGHSWPEA-UHFFFAOYSA-N -1 3 292.270 1.478 10 0 CDAEHM C[C@@H](NC(=O)c1ccccc1[O-])[C@H](C)NC(=O)C(C)(C)F ZINC001449561954 967493687 /nfs/dbraw/zinc/49/36/87/967493687.db2.gz SDHFZZPOOBGAMW-ZJUUUORDSA-N -1 3 296.342 1.763 10 0 CDAEHM Nc1ccnn1CC(=O)Nc1c([O-])cccc1Cl ZINC001450264372 967667164 /nfs/dbraw/zinc/66/71/64/967667164.db2.gz MSJJMOBCUUMYGS-UHFFFAOYSA-N -1 3 266.688 1.463 10 0 CDAEHM CC(=O)c1ccc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)o1 ZINC001300198067 967695899 /nfs/dbraw/zinc/69/58/99/967695899.db2.gz QUBLSNVVYJZUOC-UHFFFAOYSA-N -1 3 293.304 1.197 10 0 CDAEHM NC(=O)c1ccc(/C=C/C(=O)[N-]OC/C=C/Cl)o1 ZINC001450777852 967788670 /nfs/dbraw/zinc/78/86/70/967788670.db2.gz NBNROHKYXPJMGM-ZHPPZSSHSA-N -1 3 270.672 1.192 10 0 CDAEHM C/C(=C\c1ccccn1)C(=O)[N-]OC[C@H]1CCOC1 ZINC000847880259 968294413 /nfs/dbraw/zinc/29/44/13/968294413.db2.gz GUVDWORXJPPBSQ-OBIHZWKSSA-N -1 3 262.309 1.569 10 0 CDAEHM CCOc1nnc(NC(=O)CCNC(=O)OC(C)(C)C)[n-]1 ZINC001454988998 968585233 /nfs/dbraw/zinc/58/52/33/968585233.db2.gz QNZGSHPQZBQEPI-UHFFFAOYSA-N -1 3 299.331 1.057 10 0 CDAEHM CCOc1nc(NC(=O)CCNC(=O)OC(C)(C)C)n[n-]1 ZINC001454988998 968585240 /nfs/dbraw/zinc/58/52/40/968585240.db2.gz QNZGSHPQZBQEPI-UHFFFAOYSA-N -1 3 299.331 1.057 10 0 CDAEHM CCOc1n[n-]c(NC(=O)CCNC(=O)OC(C)(C)C)n1 ZINC001454988998 968585248 /nfs/dbraw/zinc/58/52/48/968585248.db2.gz QNZGSHPQZBQEPI-UHFFFAOYSA-N -1 3 299.331 1.057 10 0 CDAEHM O=C([N-]c1cc2oc(=O)[nH]c2cc1F)c1cc(CO)on1 ZINC001300593312 968689957 /nfs/dbraw/zinc/68/99/57/968689957.db2.gz OHGZGRNCSRHTGC-UHFFFAOYSA-N -1 3 293.210 1.405 10 0 CDAEHM COc1cc(C(=O)[N-]c2cc(Cl)nc(OC)c2)on1 ZINC001527925891 968761288 /nfs/dbraw/zinc/76/12/88/968761288.db2.gz GSGOEEOOMQCIAK-UHFFFAOYSA-N -1 3 283.671 1.993 10 0 CDAEHM O=C(C=Cc1ccco1)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001455657594 968764807 /nfs/dbraw/zinc/76/48/07/968764807.db2.gz BCTOEWUKPCZGGT-WAYWQWQTSA-N -1 3 285.303 1.982 10 0 CDAEHM COC(=O)c1cnc(SC[C@H](OC)[C@H]2CCOC2)[n-]1 ZINC000849890798 970012517 /nfs/dbraw/zinc/01/25/17/970012517.db2.gz AFSGJEZLZDEEQM-WPRPVWTQSA-N -1 3 286.353 1.340 10 0 CDAEHM CSCCO[N-]C(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C ZINC001467720754 970091145 /nfs/dbraw/zinc/09/11/45/970091145.db2.gz HCPYYXWPGBODEW-VHSXEESVSA-N -1 3 289.397 1.765 10 0 CDAEHM CC(C)O[N-]C(=O)c1c[nH]c2cc(F)c(F)cc2c1=O ZINC001468461393 970165793 /nfs/dbraw/zinc/16/57/93/970165793.db2.gz SRHCVFCPYXLCGZ-UHFFFAOYSA-N -1 3 282.246 1.876 10 0 CDAEHM CC(C)ONC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001468461393 970165797 /nfs/dbraw/zinc/16/57/97/970165797.db2.gz SRHCVFCPYXLCGZ-UHFFFAOYSA-N -1 3 282.246 1.876 10 0 CDAEHM O=C([N-]c1ncc(CCO)s1)c1nnc(C2CC2)o1 ZINC001468634675 970182511 /nfs/dbraw/zinc/18/25/11/970182511.db2.gz VIMFXNVONFTCDJ-UHFFFAOYSA-N -1 3 280.309 1.191 10 0 CDAEHM O=C(N[C@@H]1CCc2[nH]cnc2C1)c1ccc(F)c([O-])c1 ZINC001468666771 970183464 /nfs/dbraw/zinc/18/34/64/970183464.db2.gz ALRYGWMMZGIMJF-SECBINFHSA-N -1 3 275.283 1.542 10 0 CDAEHM O=C(N[C@@H]1CCc2nc[nH]c2C1)c1ccc(F)c([O-])c1 ZINC001468666771 970183468 /nfs/dbraw/zinc/18/34/68/970183468.db2.gz ALRYGWMMZGIMJF-SECBINFHSA-N -1 3 275.283 1.542 10 0 CDAEHM O=C(NCC1(NC(=O)C(F)F)CC1)c1ccccc1[O-] ZINC001417104582 973035155 /nfs/dbraw/zinc/03/51/55/973035155.db2.gz JXJJRIXXZUCQBD-UHFFFAOYSA-N -1 3 284.262 1.036 10 0 CDAEHM COc1nnc(NC(=O)CCc2ncc(C(C)(C)C)o2)[n-]1 ZINC001417681803 973279112 /nfs/dbraw/zinc/27/91/12/973279112.db2.gz YCOMQVSFSBNITK-UHFFFAOYSA-N -1 3 293.327 1.670 10 0 CDAEHM COc1nc(NC(=O)CCc2ncc(C(C)(C)C)o2)n[n-]1 ZINC001417681803 973279120 /nfs/dbraw/zinc/27/91/20/973279120.db2.gz YCOMQVSFSBNITK-UHFFFAOYSA-N -1 3 293.327 1.670 10 0 CDAEHM COc1n[n-]c(NC(=O)CCc2ncc(C(C)(C)C)o2)n1 ZINC001417681803 973279127 /nfs/dbraw/zinc/27/91/27/973279127.db2.gz YCOMQVSFSBNITK-UHFFFAOYSA-N -1 3 293.327 1.670 10 0 CDAEHM O=C(NC/C=C/CNC/C=C\Cl)c1ncccc1[O-] ZINC001497565582 973413045 /nfs/dbraw/zinc/41/30/45/973413045.db2.gz ASMYPKHQGMZSFR-DHXNAFAQSA-N -1 3 281.743 1.415 10 0 CDAEHM Cc1cc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc(=O)[nH]1 ZINC001418309617 973742182 /nfs/dbraw/zinc/74/21/82/973742182.db2.gz STFPFLYFHWAZKP-SECBINFHSA-N -1 3 288.307 1.154 10 0 CDAEHM C[C@@H]1[C@H](C)N(C(=O)c2ccc(F)c([O-])c2)CCN1C ZINC001546269402 974253475 /nfs/dbraw/zinc/25/34/75/974253475.db2.gz UCOMVACBQZQNRN-ZJUUUORDSA-N -1 3 266.316 1.696 10 0 CDAEHM C[C@@H](NC(=O)CCCC1CC1)[C@@H](C)NC(=O)c1cn[n-]n1 ZINC001380480941 976432874 /nfs/dbraw/zinc/43/28/74/976432874.db2.gz CGIWQOZFYWGGNM-NXEZZACHSA-N -1 3 293.371 1.008 10 0 CDAEHM CC[C@H](F)C(=O)N(C)C[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001383793511 977512195 /nfs/dbraw/zinc/51/21/95/977512195.db2.gz VJXGETWAHGNYAB-PWSUYJOCSA-N -1 3 296.342 1.717 10 0 CDAEHM CCOC[C@H](C)[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000147092766 342459352 /nfs/dbraw/zinc/45/93/52/342459352.db2.gz JTPBYVKUHJSGCF-JTQLQIEISA-N -1 3 275.345 1.837 10 0 CDAEHM Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1Cl ZINC000095237995 342464611 /nfs/dbraw/zinc/46/46/11/342464611.db2.gz XWVASEPMUMOYME-UHFFFAOYSA-N -1 3 261.676 1.288 10 0 CDAEHM Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1Cl ZINC000095237995 342464612 /nfs/dbraw/zinc/46/46/12/342464612.db2.gz XWVASEPMUMOYME-UHFFFAOYSA-N -1 3 261.676 1.288 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N(C)CC(=O)NC(C)(C)C)n1 ZINC000192535509 342468096 /nfs/dbraw/zinc/46/80/96/342468096.db2.gz VCXHVPYXQFDHEW-JTQLQIEISA-N -1 3 280.372 1.398 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@H]2C[C@H](OC)C2)sc1C ZINC000599194557 343978343 /nfs/dbraw/zinc/97/83/43/343978343.db2.gz QWRCEBVBOBKVNJ-ZKCHVHJHSA-N -1 3 256.327 1.249 10 0 CDAEHM CCN=c1[n-]c(C(=O)NC[C@H]2CCC[C@H](C)O2)cs1 ZINC000618585629 349489703 /nfs/dbraw/zinc/48/97/03/349489703.db2.gz BRRZRJHSVFUDID-VHSXEESVSA-N -1 3 283.397 1.684 10 0 CDAEHM COc1cccc(C(=O)N[C@H]2COC(C)(C)C2)c1[O-] ZINC000396511007 342551027 /nfs/dbraw/zinc/55/10/27/342551027.db2.gz PKOOZOUACHTLLG-SECBINFHSA-N -1 3 265.309 1.698 10 0 CDAEHM Nc1cc(=O)[n-]c(-c2ccc(F)c(Br)c2)n1 ZINC000082586504 178122591 /nfs/dbraw/zinc/12/25/91/178122591.db2.gz CQTKTNLNNILSNH-UHFFFAOYSA-N -1 3 284.088 1.921 10 0 CDAEHM CCO[C@@H]1C[C@H](NC(=O)c2cccc([O-])c2)[C@]12CCCO2 ZINC000274121438 365566027 /nfs/dbraw/zinc/56/60/27/365566027.db2.gz AXVLCNRPCGQXFV-SQWLQELKSA-N -1 3 291.347 1.849 10 0 CDAEHM O=C(NCc1ncccc1[O-])N[C@@H]1CO[C@H](C2CC2)C1 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N[C@@H](CC(=O)[O-])C(=O)N[C@@H](c1cccs1)C1CCCC1 ZINC000085812376 179178024 /nfs/dbraw/zinc/17/80/24/179178024.db2.gz OLFMYPCWMYSRBI-GXFFZTMASA-N -1 3 296.392 1.898 10 0 CDAEHM Cc1nc(-c2ccc(NC(=O)[C@H](N)CC(=O)[O-])cc2)co1 ZINC000085813673 179178398 /nfs/dbraw/zinc/17/83/98/179178398.db2.gz DEICYWWXONJYEF-LLVKDONJSA-N -1 3 289.291 1.391 10 0 CDAEHM CC(C)Cc1ccc([C@H](C)NC(=O)[C@H](N)CC(=O)[O-])cc1 ZINC000085812885 179178572 /nfs/dbraw/zinc/17/85/72/179178572.db2.gz WWTZPDVLIFPKMX-SMDDNHRTSA-N -1 3 292.379 1.864 10 0 CDAEHM CC(C)[C@@H]1CCCN(C(=O)[C@@H](N)CCC(=O)[O-])CC1 ZINC000085845971 179186305 /nfs/dbraw/zinc/18/63/05/179186305.db2.gz VIAICDXWQYSJEO-NEPJUHHUSA-N -1 3 270.373 1.463 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)N1CCC[C@@H]1c1cccs1 ZINC000085815423 179179452 /nfs/dbraw/zinc/17/94/52/179179452.db2.gz BLKIWXNJZWEMQE-DTWKUNHWSA-N -1 3 268.338 1.214 10 0 CDAEHM CCCCN(C(=O)[C@@H](N)CC(=O)[O-])c1ccccc1 ZINC000085818323 179181130 /nfs/dbraw/zinc/18/11/30/179181130.db2.gz 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ZINC000110787816 350315805 /nfs/dbraw/zinc/31/58/05/350315805.db2.gz ULQRQGWDANKFKB-GFCCVEGCSA-N -1 3 289.339 1.298 10 0 CDAEHM CCO[C@H](CC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000110787816 350315809 /nfs/dbraw/zinc/31/58/09/350315809.db2.gz ULQRQGWDANKFKB-GFCCVEGCSA-N -1 3 289.339 1.298 10 0 CDAEHM COc1cc(C(=O)Nc2nn(C)cc2C)cc(OC)c1[O-] ZINC000620924437 350380539 /nfs/dbraw/zinc/38/05/39/350380539.db2.gz QQTZIFRAHHXWDU-UHFFFAOYSA-N -1 3 291.307 1.126 10 0 CDAEHM CN(C)[C@H](Cc1ccccc1)C(=O)Nc1ncccc1[O-] ZINC000106455049 186119244 /nfs/dbraw/zinc/11/92/44/186119244.db2.gz HTBJRQLWEIJPLP-CYBMUJFWSA-N -1 3 285.347 1.899 10 0 CDAEHM C[C@@H]1COCC[C@H]1NC(=O)c1cc(F)c[n-]c1=O ZINC000621974137 350904856 /nfs/dbraw/zinc/90/48/56/350904856.db2.gz LVIGGKIAEWVCDE-GMSGAONNSA-N -1 3 254.261 1.081 10 0 CDAEHM CC(C)[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)C1CC1 ZINC000622177901 351055663 /nfs/dbraw/zinc/05/56/63/351055663.db2.gz IPHVUCUPUJVYDO-OAHLLOKOSA-N -1 3 290.363 1.673 10 0 CDAEHM O=C(NCC[C@@H]1CC1(F)F)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000622200739 351068191 /nfs/dbraw/zinc/06/81/91/351068191.db2.gz VTYGLXWUFBMAOM-MRVPVSSYSA-N -1 3 294.257 1.345 10 0 CDAEHM COCCS(=O)(=O)[N-]c1cccc([C@@H](C)OC)c1 ZINC000154406189 351290522 /nfs/dbraw/zinc/29/05/22/351290522.db2.gz MGSFNKGPASMMGY-SNVBAGLBSA-N -1 3 273.354 1.782 10 0 CDAEHM Cc1ccc([O-])c(CN2C[C@H](C)S(=O)(=O)[C@@H](C)C2)n1 ZINC000290977516 363081019 /nfs/dbraw/zinc/08/10/19/363081019.db2.gz TVRYIBCKRISAKQ-QWRGUYRKSA-N -1 3 284.381 1.103 10 0 CDAEHM CCc1cc(C(=O)NCc2noc(C)n2)ccc1[O-] ZINC000292002248 198131367 /nfs/dbraw/zinc/13/13/67/198131367.db2.gz SVRWULQNBFFBJM-UHFFFAOYSA-N -1 3 261.281 1.576 10 0 CDAEHM Cc1ccccc1[C@@H](C)N(C)C(=O)CN1CC(=O)[N-]C1=O ZINC000264883672 363180670 /nfs/dbraw/zinc/18/06/70/363180670.db2.gz UDGXKRFUEOHUDF-LLVKDONJSA-N -1 3 289.335 1.066 10 0 CDAEHM Cn1cc(NC([O-])=NOC[C@@H]2CCOC2)c(C2CC2)n1 ZINC000292165428 198189054 /nfs/dbraw/zinc/18/90/54/198189054.db2.gz YCQLNGBESFQLJK-SECBINFHSA-N -1 3 280.328 1.387 10 0 CDAEHM Cn1cc(NC(=O)[N-]OC[C@@H]2CCOC2)c(C2CC2)n1 ZINC000292165428 198189056 /nfs/dbraw/zinc/18/90/56/198189056.db2.gz YCQLNGBESFQLJK-SECBINFHSA-N -1 3 280.328 1.387 10 0 CDAEHM CC(C)Oc1ccc(F)cc1NC([O-])=NOCC(N)=O ZINC000271664667 191265935 /nfs/dbraw/zinc/26/59/35/191265935.db2.gz BGXMAJPOFGROIA-UHFFFAOYSA-N -1 3 285.275 1.151 10 0 CDAEHM CC(C)Oc1ccc(F)cc1NC(=O)[N-]OCC(N)=O ZINC000271664667 191265938 /nfs/dbraw/zinc/26/59/38/191265938.db2.gz BGXMAJPOFGROIA-UHFFFAOYSA-N -1 3 285.275 1.151 10 0 CDAEHM CCCCc1nnc([N-]C(=O)c2ccnnc2)s1 ZINC000154158987 188126726 /nfs/dbraw/zinc/12/67/26/188126726.db2.gz OKMLURKIQAWXOQ-UHFFFAOYSA-N -1 3 263.326 1.923 10 0 CDAEHM Cc1cc(CS(=O)(=O)[N-]Cc2cnc(C)s2)no1 ZINC000265300975 363286403 /nfs/dbraw/zinc/28/64/03/363286403.db2.gz GJODLDIYRLFGSO-UHFFFAOYSA-N -1 3 287.366 1.368 10 0 CDAEHM CC1=NN(c2cn[n-]c(=O)c2Cl)C(=O)[C@H]2C[C@@H]12 ZINC000634587450 356468613 /nfs/dbraw/zinc/46/86/13/356468613.db2.gz OQNABYHSSTVMMO-WDSKDSINSA-N -1 3 252.661 1.194 10 0 CDAEHM NC(=S)N1NC(c2ccco2)=C[C@]1([O-])C(F)(F)F ZINC000033373315 356801401 /nfs/dbraw/zinc/80/14/01/356801401.db2.gz MHRIIDCTIWAHIJ-QMMMGPOBSA-N -1 3 279.243 1.184 10 0 CDAEHM COc1cccc(C(=O)N2CCC[C@@H](CC(N)=O)C2)c1[O-] ZINC000175521312 188954522 /nfs/dbraw/zinc/95/45/22/188954522.db2.gz NGRFBGKXMLXVRJ-JTQLQIEISA-N -1 3 292.335 1.128 10 0 CDAEHM CC1(C)CO[C@@H](CN2CCSC[C@@H]2C(=O)[O-])C1 ZINC000634692577 357089698 /nfs/dbraw/zinc/08/96/98/357089698.db2.gz DGTKVQJLAMPNDM-NXEZZACHSA-N -1 3 259.371 1.304 10 0 CDAEHM Cc1cc(=NC(=O)[N-]c2nc(C)no2)[nH]n1[C@@H](C)C1CC1 ZINC000565818466 357454105 /nfs/dbraw/zinc/45/41/05/357454105.db2.gz XUGWQJZFOSTVDE-QMMMGPOBSA-N -1 3 290.327 1.342 10 0 CDAEHM Cc1ccc2ncnc(N(C)C[C@@H](C)c3nnn[n-]3)c2c1 ZINC000185159442 357516518 /nfs/dbraw/zinc/51/65/18/357516518.db2.gz BZRJZWREVGSTGU-SNVBAGLBSA-N -1 3 283.339 1.691 10 0 CDAEHM Cc1ccc2ncnc(N(C)C[C@@H](C)c3nn[n-]n3)c2c1 ZINC000185159442 357516523 /nfs/dbraw/zinc/51/65/23/357516523.db2.gz BZRJZWREVGSTGU-SNVBAGLBSA-N -1 3 283.339 1.691 10 0 CDAEHM COc1ccc(-n2c(Cn3ccnc3)n[n-]c2=O)c(C)c1 ZINC000065499509 357545503 /nfs/dbraw/zinc/54/55/03/357545503.db2.gz DRBXWTPMDKPYAM-UHFFFAOYSA-N -1 3 285.307 1.122 10 0 CDAEHM CC[C@@H]1CC[C@H](C)N1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000407991456 357730294 /nfs/dbraw/zinc/73/02/94/357730294.db2.gz OZOZFNISKIWUJE-VHSXEESVSA-N -1 3 278.356 1.651 10 0 CDAEHM C[C@H]1CN(C(=O)c2cccc([O-])c2)CCN1CC(C)(C)O ZINC000188743004 357933027 /nfs/dbraw/zinc/93/30/27/357933027.db2.gz IBVDBJDORRGDGF-LBPRGKRZSA-N -1 3 292.379 1.309 10 0 CDAEHM CO[C@H](C)[C@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000188863644 357946687 /nfs/dbraw/zinc/94/66/87/357946687.db2.gz CLCHLBIIWOIFII-DTWKUNHWSA-N -1 3 270.304 1.754 10 0 CDAEHM CNC(=O)CCCC(=O)[N-]OCc1ccc(F)cc1 ZINC000189096938 357970716 /nfs/dbraw/zinc/97/07/16/357970716.db2.gz DXLNUOXCZKLWCO-UHFFFAOYSA-N -1 3 268.288 1.290 10 0 CDAEHM CC1CCC(N(C(=O)CN2CC(=O)[N-]C2=O)C2CC2)CC1 ZINC000408125367 358164844 /nfs/dbraw/zinc/16/48/44/358164844.db2.gz ZWEQGDBMPJAEKZ-UHFFFAOYSA-N -1 3 293.367 1.108 10 0 CDAEHM COc1cccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1[O-] ZINC000019837422 358158868 /nfs/dbraw/zinc/15/88/68/358158868.db2.gz QSWCGQUHFGYINC-UWVGGRQHSA-N -1 3 265.309 1.650 10 0 CDAEHM COc1cccc(C(=O)N[C@@H]2C[C@H](C)O[C@H]2C)c1[O-] ZINC000384859623 358219000 /nfs/dbraw/zinc/21/90/00/358219000.db2.gz GXIDOWGVVFUGGK-ATZCPNFKSA-N -1 3 265.309 1.697 10 0 CDAEHM C[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2[O-])[C@H](C)O1 ZINC000384844066 358209497 /nfs/dbraw/zinc/20/94/97/358209497.db2.gz DUNKGCUMAJQCJE-FYBVGQRMSA-N -1 3 251.282 1.394 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CC3CCC2CC3)cn1C ZINC000566166592 358264170 /nfs/dbraw/zinc/26/41/70/358264170.db2.gz IAQFKNPUUKXESD-BPCQOVAHSA-N -1 3 297.424 1.833 10 0 CDAEHM CCS(=O)(=O)C1(CNC(=O)c2c(C)cccc2[O-])CC1 ZINC000628137150 358296303 /nfs/dbraw/zinc/29/63/03/358296303.db2.gz ZAMAHGUCTIFFQI-UHFFFAOYSA-N -1 3 297.376 1.398 10 0 CDAEHM C[C@@H](NCc1nc(=O)n(C)[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC000408213761 358415191 /nfs/dbraw/zinc/41/51/91/358415191.db2.gz DDALTWDNCUXXFP-GYPVXTSCSA-N -1 3 290.411 1.803 10 0 CDAEHM NN=c1nc(-c2ccncc2)cc(C(F)(F)F)[n-]1 ZINC000217030871 358976088 /nfs/dbraw/zinc/97/60/88/358976088.db2.gz FIUMWVVXCPVJBM-UHFFFAOYSA-N -1 3 255.203 1.843 10 0 CDAEHM NN=c1nc(C(F)(F)F)cc(-c2ccncc2)[n-]1 ZINC000217030871 358976094 /nfs/dbraw/zinc/97/60/94/358976094.db2.gz FIUMWVVXCPVJBM-UHFFFAOYSA-N -1 3 255.203 1.843 10 0 CDAEHM Cc1ccc(Cl)cc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000336498876 363637776 /nfs/dbraw/zinc/63/77/76/363637776.db2.gz MTNYJPBSRLGVDS-UHFFFAOYSA-N -1 3 281.699 1.139 10 0 CDAEHM CC(=O)NCCN(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000566284964 359331925 /nfs/dbraw/zinc/33/19/25/359331925.db2.gz GNGLKNLASSMOHA-UHFFFAOYSA-N -1 3 290.363 1.479 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H]2CCOC2)c1 ZINC000162623981 359449488 /nfs/dbraw/zinc/44/94/88/359449488.db2.gz NJJQSCAPJFARQB-NSHDSACASA-N -1 3 278.308 1.212 10 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1.611 10 0 CDAEHM C[C@@H]1CCN(C(=O)c2cccc([O-])c2)CC[S@@]1=O ZINC000277590014 366535175 /nfs/dbraw/zinc/53/51/75/366535175.db2.gz PDFQEVBFAYCHSO-MGNBDDOMSA-N -1 3 267.350 1.375 10 0 CDAEHM CC(F)(F)CCC[N-]S(=O)(=O)c1ccoc1 ZINC000296915746 200033229 /nfs/dbraw/zinc/03/32/29/200033229.db2.gz FJJQECVFYLJENQ-UHFFFAOYSA-N -1 3 253.270 1.993 10 0 CDAEHM C[C@H]1[C@H](O)CCCN1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000297045243 200069897 /nfs/dbraw/zinc/06/98/97/200069897.db2.gz VEEJFOKNXHWQNB-WRWORJQWSA-N -1 3 278.287 1.082 10 0 CDAEHM C[C@H]1[C@H](O)CCCN1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000297045243 200069899 /nfs/dbraw/zinc/06/98/99/200069899.db2.gz VEEJFOKNXHWQNB-WRWORJQWSA-N -1 3 278.287 1.082 10 0 CDAEHM C[C@H]1[C@H](O)CCCN1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000297045243 200069900 /nfs/dbraw/zinc/06/99/00/200069900.db2.gz VEEJFOKNXHWQNB-WRWORJQWSA-N -1 3 278.287 1.082 10 0 CDAEHM C[C@@H](CC(C)(C)C)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000335303572 359731004 /nfs/dbraw/zinc/73/10/04/359731004.db2.gz OERWPCYWONOBQD-BONVTDFDSA-N -1 3 295.383 1.259 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000628138312 359764551 /nfs/dbraw/zinc/76/45/51/359764551.db2.gz FKNYGPAFJUXFII-RYUDHWBXSA-N -1 3 261.321 1.809 10 0 CDAEHM CC(C)(C)CCC(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297623903 200245203 /nfs/dbraw/zinc/24/52/03/200245203.db2.gz BNKODPBJIDROHN-UHFFFAOYSA-N -1 3 279.344 1.462 10 0 CDAEHM CC(C)(C)CCC(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297623903 200245205 /nfs/dbraw/zinc/24/52/05/200245205.db2.gz BNKODPBJIDROHN-UHFFFAOYSA-N -1 3 279.344 1.462 10 0 CDAEHM CC(C)(C)CCC(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297623903 200245206 /nfs/dbraw/zinc/24/52/06/200245206.db2.gz BNKODPBJIDROHN-UHFFFAOYSA-N -1 3 279.344 1.462 10 0 CDAEHM c1nc(-c2nc3ccc(-c4nnn[n-]4)cc3[nH]2)cs1 ZINC000408495685 359864820 /nfs/dbraw/zinc/86/48/20/359864820.db2.gz FEUPHRNJYJJACX-UHFFFAOYSA-N -1 3 269.293 1.867 10 0 CDAEHM c1nc(-c2nc3ccc(-c4nn[n-]n4)cc3[nH]2)cs1 ZINC000408495685 359864823 /nfs/dbraw/zinc/86/48/23/359864823.db2.gz FEUPHRNJYJJACX-UHFFFAOYSA-N -1 3 269.293 1.867 10 0 CDAEHM CNC(=O)C[C@H](C)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000456499911 363685500 /nfs/dbraw/zinc/68/55/00/363685500.db2.gz HJVVIPCLYMMHNN-JTQLQIEISA-N -1 3 290.363 1.525 10 0 CDAEHM O=S(=O)([N-][C@H]1CCCn2ncnc21)c1ccccc1F ZINC000176744345 189007037 /nfs/dbraw/zinc/00/70/37/189007037.db2.gz OQHALDJYTBPXGP-JTQLQIEISA-N -1 3 296.327 1.231 10 0 CDAEHM CCN1C[C@H](C)N(C(=O)c2cccc([O-])c2)C[C@@H]1C ZINC000335427674 360166298 /nfs/dbraw/zinc/16/62/98/360166298.db2.gz MVYMFMOZGKTYIX-RYUDHWBXSA-N -1 3 262.353 1.947 10 0 CDAEHM O=S(=O)([N-][C@@H]1C[C@@H]1c1ccccc1)c1cscn1 ZINC000335461550 360213176 /nfs/dbraw/zinc/21/31/76/360213176.db2.gz JNSNIYPRMJZMHV-GHMZBOCLSA-N -1 3 280.374 1.978 10 0 CDAEHM COC(=O)[C@H](C)CS(=O)(=O)[N-]c1ccccc1Cl ZINC000177830650 189072734 /nfs/dbraw/zinc/07/27/34/189072734.db2.gz UZHPOGKAACIKMU-MRVPVSSYSA-N -1 3 291.756 1.891 10 0 CDAEHM CCCn1nccc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O 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O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1CC12CC2 ZINC000643332574 361197394 /nfs/dbraw/zinc/19/73/94/361197394.db2.gz SABBPSSXQJHOKC-MRVPVSSYSA-N -1 3 255.281 1.605 10 0 CDAEHM CN(C)CCN(C)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000277995646 366719638 /nfs/dbraw/zinc/71/96/38/366719638.db2.gz NUAQDHSRRGTJBR-UHFFFAOYSA-N -1 3 274.723 1.818 10 0 CDAEHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccccc1F ZINC000566338768 370688833 /nfs/dbraw/zinc/68/88/33/370688833.db2.gz VDXXHSAQILDBQM-CMPLNLGQSA-N -1 3 289.372 1.901 10 0 CDAEHM Cc1ccc([O-])c(CN(C)[C@@H]2CCC(=O)N(C)C2)n1 ZINC000628368688 361383585 /nfs/dbraw/zinc/38/35/85/361383585.db2.gz SXIYUCOWFHJQHZ-LLVKDONJSA-N -1 3 263.341 1.148 10 0 CDAEHM C/C=C/C[C@H]([N-]S(=O)(=O)C[C@@H](C)CC)C(=O)OCC ZINC000357155275 366797733 /nfs/dbraw/zinc/79/77/33/366797733.db2.gz PWNOXTKFZGRCDN-LHXDFBSTSA-N -1 3 291.413 1.850 10 0 CDAEHM Cc1cccc(CS(=O)(=O)[N-]CC(=O)C(C)C)c1 ZINC000133660075 361420361 /nfs/dbraw/zinc/42/03/61/361420361.db2.gz MYTMVPNCIKAFKI-UHFFFAOYSA-N -1 3 269.366 1.640 10 0 CDAEHM COc1ccc(C(=O)N2CCO[C@H](CCF)C2)c([O-])c1 ZINC000629025413 361423775 /nfs/dbraw/zinc/42/37/75/361423775.db2.gz YOAVSIWWJIWXDN-LLVKDONJSA-N -1 3 283.299 1.601 10 0 CDAEHM CCn1c(=O)[n-]nc1SCc1cncc(OC)n1 ZINC000629100593 361516373 /nfs/dbraw/zinc/51/63/73/361516373.db2.gz OOBKXVQGPDYPTG-UHFFFAOYSA-N -1 3 267.314 1.095 10 0 CDAEHM CC[C@@H](NC(=O)c1cc2c(cc1[O-])CCCC2)C(=O)OC ZINC000436579379 361535142 /nfs/dbraw/zinc/53/51/42/361535142.db2.gz UOUROWZKZPPUER-CYBMUJFWSA-N -1 3 291.347 1.952 10 0 CDAEHM O=C(NCCc1cnc(C2CC2)nc1)c1ccc(O)cc1[O-] ZINC000436601867 361539781 /nfs/dbraw/zinc/53/97/81/361539781.db2.gz CUXVILKYFSQJQW-UHFFFAOYSA-N -1 3 299.330 1.738 10 0 CDAEHM COc1cccc(C(=O)N[C@H](C)c2nc(C)no2)c1[O-] ZINC000436621188 361544351 /nfs/dbraw/zinc/54/43/51/361544351.db2.gz CTPHHJLBVMSBOE-SSDOTTSWSA-N -1 3 277.280 1.583 10 0 CDAEHM CCc1ccc(C(=O)N[C@@H](CF)C(=O)OC)c([O-])c1 ZINC000436736767 361568908 /nfs/dbraw/zinc/56/89/08/361568908.db2.gz HGSZFCWFMFXAPO-JTQLQIEISA-N -1 3 269.272 1.196 10 0 CDAEHM CN(C)c1ncc(CN(C)C(=O)c2ccccc2[O-])cn1 ZINC000436561666 361532118 /nfs/dbraw/zinc/53/21/18/361532118.db2.gz HCKSSLVLWGFUNL-UHFFFAOYSA-N -1 3 286.335 1.520 10 0 CDAEHM COc1cccc(C(=O)NCCc2cc(C)no2)c1[O-] ZINC000436676359 361557285 /nfs/dbraw/zinc/55/72/85/361557285.db2.gz OSPOXSCEIAWOEC-UHFFFAOYSA-N -1 3 276.292 1.670 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000629124708 361591726 /nfs/dbraw/zinc/59/17/26/361591726.db2.gz OBVIGXVQPYTFCP-AAEUAGOBSA-N -1 3 262.309 1.013 10 0 CDAEHM Cc1cc(C(=O)N[C@H]2CO[C@@H](C3CC3)C2)ccc1[O-] ZINC000629125606 361592448 /nfs/dbraw/zinc/59/24/48/361592448.db2.gz IEVDBSMEFOFHMA-TZMCWYRMSA-N -1 3 261.321 1.998 10 0 CDAEHM O=C(NCC1=CCOCC1)c1ccc2n[n-]nc2c1 ZINC000562555508 361602603 /nfs/dbraw/zinc/60/26/03/361602603.db2.gz WEUPPGCKSJAUNB-UHFFFAOYSA-N -1 3 258.281 1.034 10 0 CDAEHM COCCN(C(=O)c1ccccc1[O-])[C@@H]1CCOC1 ZINC000436814055 361580049 /nfs/dbraw/zinc/58/00/49/361580049.db2.gz KBACXISSXHIIGR-LLVKDONJSA-N -1 3 265.309 1.270 10 0 CDAEHM CCN1CCC[C@@H](Nc2ncc(C(=O)[O-])s2)C1 ZINC000156195392 363820540 /nfs/dbraw/zinc/82/05/40/363820540.db2.gz GWAVXQKEVXIXOY-MRVPVSSYSA-N -1 3 255.343 1.738 10 0 CDAEHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@H]2C[C@H]2C)s1 ZINC000267543434 363842996 /nfs/dbraw/zinc/84/29/96/363842996.db2.gz PZYMILONBLBGJD-HZGVNTEJSA-N -1 3 260.384 1.694 10 0 CDAEHM Cc1ccc(C(=O)N2CCN(CCO)C[C@H]2C)c([O-])c1C ZINC000457092136 363904477 /nfs/dbraw/zinc/90/44/77/363904477.db2.gz GFDSONDBKMYAPS-GFCCVEGCSA-N -1 3 292.379 1.148 10 0 CDAEHM Cc1cc(C(=O)N[C@H]2CCC(=O)N[C@H]2C)ccc1[O-] ZINC000282103936 363960771 /nfs/dbraw/zinc/96/07/71/363960771.db2.gz GFTWBLSHHQIHNW-ONGXEEELSA-N -1 3 262.309 1.098 10 0 CDAEHM C[C@@H]1CC[C@@H](CNC(=O)c2cc(=O)c3ccccc3[n-]2)O1 ZINC000457438102 364051461 /nfs/dbraw/zinc/05/14/61/364051461.db2.gz NGMCJMISWPCKHQ-MNOVXSKESA-N -1 3 286.331 1.825 10 0 CDAEHM Cn1cc(S(=O)(=O)[N-]CCC2=CCCC2)nc1Cl ZINC000159113280 364139633 /nfs/dbraw/zinc/13/96/33/364139633.db2.gz 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/nfs/dbraw/zinc/70/14/84/364701484.db2.gz UXPQKSAMIRFRGN-ZJUUUORDSA-N -1 3 269.370 1.763 10 0 CDAEHM CO[C@@H](C)CCC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352996194 364703185 /nfs/dbraw/zinc/70/31/85/364703185.db2.gz XPIMPHVANMDITI-ONGXEEELSA-N -1 3 267.329 1.437 10 0 CDAEHM CCn1cc([C@@H](C)NC(=O)NCc2ncccc2[O-])cn1 ZINC000455504800 252395711 /nfs/dbraw/zinc/39/57/11/252395711.db2.gz SCEMEAOSDCLONU-SNVBAGLBSA-N -1 3 289.339 1.564 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000394997179 364843007 /nfs/dbraw/zinc/84/30/07/364843007.db2.gz DSFJBYNHOPGRGT-VDDIYKPWSA-N -1 3 265.309 1.697 10 0 CDAEHM Cc1ncccc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000179050608 364974522 /nfs/dbraw/zinc/97/45/22/364974522.db2.gz NYYFIQXPPNZLSA-UHFFFAOYSA-N -1 3 282.307 1.766 10 0 CDAEHM Cc1ncccc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000179050608 364974530 /nfs/dbraw/zinc/97/45/30/364974530.db2.gz NYYFIQXPPNZLSA-UHFFFAOYSA-N -1 3 282.307 1.766 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@H](C)CCc2ccco2)c1 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O=C(CCNC(=O)c1cccc([O-])c1)NCc1ccccn1 ZINC000357771094 367196637 /nfs/dbraw/zinc/19/66/37/367196637.db2.gz SZUUULYSMGAQFM-UHFFFAOYSA-N -1 3 299.330 1.224 10 0 CDAEHM CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([O-])c(C)c1 ZINC000226996906 367381066 /nfs/dbraw/zinc/38/10/66/367381066.db2.gz SDCYLNUEFCICDL-NSHDSACASA-N -1 3 262.309 1.051 10 0 CDAEHM C[C@H](F)CC[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000416491626 242019660 /nfs/dbraw/zinc/01/96/60/242019660.db2.gz YPRLZGQERYRWBP-UWVGGRQHSA-N -1 3 289.376 1.807 10 0 CDAEHM CN1CCO[C@@H](CNC(=O)c2cc([O-])ccc2Cl)C1 ZINC000234346463 367609082 /nfs/dbraw/zinc/60/90/82/367609082.db2.gz DCEOLKURTZKXRB-JTQLQIEISA-N -1 3 284.743 1.106 10 0 CDAEHM O=C(NC[C@@H]1CC[C@@H](O)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000236546093 367653115 /nfs/dbraw/zinc/65/31/15/367653115.db2.gz OYWWLEXVYYMMAH-GHMZBOCLSA-N -1 3 286.331 1.419 10 0 CDAEHM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358600358 367807374 /nfs/dbraw/zinc/80/73/74/367807374.db2.gz OUGDMJFJOXFNTH-SECBINFHSA-N -1 3 289.353 1.598 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2CCCC(F)(F)C2)[n-]1 ZINC000282438176 367884046 /nfs/dbraw/zinc/88/40/46/367884046.db2.gz FRXKLDAONFKWPM-ZCFIWIBFSA-N -1 3 260.244 1.577 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2CCCC(F)(F)C2)n[n-]1 ZINC000282438176 367884051 /nfs/dbraw/zinc/88/40/51/367884051.db2.gz FRXKLDAONFKWPM-ZCFIWIBFSA-N -1 3 260.244 1.577 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2CCCC(F)(F)C2)n1 ZINC000282438176 367884055 /nfs/dbraw/zinc/88/40/55/367884055.db2.gz FRXKLDAONFKWPM-ZCFIWIBFSA-N -1 3 260.244 1.577 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1cscn1 ZINC000528543574 367889128 /nfs/dbraw/zinc/88/91/28/367889128.db2.gz BAYGASMNLFXOLL-IBCQBUCCSA-N -1 3 276.383 1.233 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)CCC(F)(F)F ZINC000528545168 367890898 /nfs/dbraw/zinc/89/08/98/367890898.db2.gz WUJMCLUPKAPMJR-MAUMQABQSA-N -1 3 289.319 1.670 10 0 CDAEHM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000282612155 367959286 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369654493 /nfs/dbraw/zinc/65/44/93/369654493.db2.gz SXVWJLALCRHLAJ-QGZVFWFLSA-N -1 3 299.374 1.984 10 0 CDAEHM O=S(=O)([N-]Cc1cnc(Cl)s1)[C@H]1CCOC1 ZINC000289899813 369710370 /nfs/dbraw/zinc/71/03/70/369710370.db2.gz PQUAXMZVLUHSNB-ZETCQYMHSA-N -1 3 282.774 1.005 10 0 CDAEHM CC1(CC(=O)Nc2nnc(SCCO)[n-]2)CCCC1 ZINC000289879237 369701021 /nfs/dbraw/zinc/70/10/21/369701021.db2.gz RWTIDBFSCPXUHZ-UHFFFAOYSA-N -1 3 284.385 1.798 10 0 CDAEHM CC1(CC(=O)Nc2nc(SCCO)n[n-]2)CCCC1 ZINC000289879237 369701027 /nfs/dbraw/zinc/70/10/27/369701027.db2.gz RWTIDBFSCPXUHZ-UHFFFAOYSA-N -1 3 284.385 1.798 10 0 CDAEHM CC1(CC(=O)Nc2n[n-]c(SCCO)n2)CCCC1 ZINC000289879237 369701031 /nfs/dbraw/zinc/70/10/31/369701031.db2.gz RWTIDBFSCPXUHZ-UHFFFAOYSA-N -1 3 284.385 1.798 10 0 CDAEHM Cc1csc(C[N-]S(=O)(=O)c2cnc3n2CCC3)n1 ZINC000548445577 369861027 /nfs/dbraw/zinc/86/10/27/369861027.db2.gz CAKFOUJSILMERN-UHFFFAOYSA-N -1 3 298.393 1.073 10 0 CDAEHM COc1cc(=NC(=O)N2CCC[C@H]3CCC[C@@H]32)[n-]n1C ZINC000548495639 369877865 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CDAEHM COc1nnc(NC(=O)c2ccc3c(c2)C(C)(C)CO3)[n-]1 ZINC000578067891 372252243 /nfs/dbraw/zinc/25/22/43/372252243.db2.gz JPWIJSCDVZPSEU-UHFFFAOYSA-N -1 3 288.307 1.736 10 0 CDAEHM COc1nc(NC(=O)c2ccc3c(c2)C(C)(C)CO3)n[n-]1 ZINC000578067891 372252253 /nfs/dbraw/zinc/25/22/53/372252253.db2.gz JPWIJSCDVZPSEU-UHFFFAOYSA-N -1 3 288.307 1.736 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc3c(c2)C(C)(C)CO3)n1 ZINC000578067891 372252257 /nfs/dbraw/zinc/25/22/57/372252257.db2.gz JPWIJSCDVZPSEU-UHFFFAOYSA-N -1 3 288.307 1.736 10 0 CDAEHM CC(C)n1cc([N-]S(=O)(=O)N2CCC[C@H]2C)cn1 ZINC000578271260 372368810 /nfs/dbraw/zinc/36/88/10/372368810.db2.gz SIWVHSDLGHEYOL-SNVBAGLBSA-N -1 3 272.374 1.605 10 0 CDAEHM COC(=O)c1coc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000578506348 372485706 /nfs/dbraw/zinc/48/57/06/372485706.db2.gz DPDZSQDLLDWCLG-JOYOIKCWSA-N -1 3 281.308 1.609 10 0 CDAEHM C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000333179568 205095747 /nfs/dbraw/zinc/09/57/47/205095747.db2.gz 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CCOC(=O)c1csc(=NC[C@@H]2C[C@@H](C)O[C@@H]2C)[n-]1 ZINC000413526981 391085083 /nfs/dbraw/zinc/08/50/83/391085083.db2.gz DBRUFNOBMQDHDY-BBBLOLIVSA-N -1 3 284.381 1.967 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)COc1ccsc1 ZINC000337384350 391141457 /nfs/dbraw/zinc/14/14/57/391141457.db2.gz CGHDCNQONWODOR-UHFFFAOYSA-N -1 3 281.293 1.275 10 0 CDAEHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000336435878 391158725 /nfs/dbraw/zinc/15/87/25/391158725.db2.gz ATGCZXZSKUSQIY-ZANVPECISA-N -1 3 299.330 1.149 10 0 CDAEHM C[C@H]1C(=O)N(C)CN1Cc1cc([O-])ccc1Br ZINC000648075861 391188088 /nfs/dbraw/zinc/18/80/88/391188088.db2.gz SCTAEZLRENNEBF-QMMMGPOBSA-N -1 3 299.168 1.775 10 0 CDAEHM C[C@H](C[S@](C)=O)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000345578266 391263023 /nfs/dbraw/zinc/26/30/23/391263023.db2.gz YQEBYTKOKKBPJH-YBYGRFCBSA-N -1 3 292.360 1.025 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]c2ccnn2CCN(C)C)o1 ZINC000451046411 391550149 /nfs/dbraw/zinc/55/01/49/391550149.db2.gz PENKZUXKUKACMV-UHFFFAOYSA-N -1 3 298.368 1.147 10 0 CDAEHM COc1cc(=NC(=O)c2conc2C(C)C)[n-]n1C ZINC000529060896 391690469 /nfs/dbraw/zinc/69/04/69/391690469.db2.gz QTXCPQHNKZSOAE-UHFFFAOYSA-N -1 3 264.285 1.214 10 0 CDAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(F)cn1 ZINC000525968296 392009847 /nfs/dbraw/zinc/00/98/47/392009847.db2.gz LUVBSQXPJHKLSZ-LLVKDONJSA-N -1 3 276.271 1.470 10 0 CDAEHM CC[C@@H](C)[C@](C)(O)CNC(=O)c1cccc(OC)c1[O-] ZINC000439498168 392079793 /nfs/dbraw/zinc/07/97/93/392079793.db2.gz MHFUDSALDARMKZ-MEBBXXQBSA-N -1 3 281.352 1.928 10 0 CDAEHM COc1ccc(NC(=O)c2cn3c(n2)CCC3)c([O-])c1 ZINC000648873716 392126440 /nfs/dbraw/zinc/12/64/40/392126440.db2.gz FTRQATCPCBACSB-UHFFFAOYSA-N -1 3 273.292 1.796 10 0 CDAEHM O=C(NC[C@H]1CCC[C@H]1O)c1cc([O-])ccc1Cl ZINC000236528220 130958088 /nfs/dbraw/zinc/95/80/88/130958088.db2.gz RSPRVBZYWJGELN-PRHODGIISA-N -1 3 269.728 1.936 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)N(C)C1CCCCC1)C(=O)OC ZINC000152688091 392388039 /nfs/dbraw/zinc/38/80/39/392388039.db2.gz 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AYTPUABEDXIYBG-ZETCQYMHSA-N -1 3 274.280 1.333 10 0 CDAEHM COCC1(C(=O)N=c2[nH][n-]c(C(C)C)c2C)CCOCC1 ZINC000649228907 393119169 /nfs/dbraw/zinc/11/91/69/393119169.db2.gz FMWKMOCILHHMBM-UHFFFAOYSA-N -1 3 295.383 1.645 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](CC)COC ZINC000451222047 393159494 /nfs/dbraw/zinc/15/94/94/393159494.db2.gz VNAKMSACKUZSHE-JTQLQIEISA-N -1 3 288.369 1.184 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-]CC[C@@H](C)F ZINC000451585937 393344638 /nfs/dbraw/zinc/34/46/38/393344638.db2.gz XLQFAGMFOSGXER-SECBINFHSA-N -1 3 276.333 1.507 10 0 CDAEHM CCc1ncc(S(=O)(=O)[N-][C@@H]2COCC2(C)C)s1 ZINC000451963634 393412888 /nfs/dbraw/zinc/41/28/88/393412888.db2.gz HSHWHCCUDRDDDH-MRVPVSSYSA-N -1 3 290.410 1.409 10 0 CDAEHM C[C@@H]1CCc2ccccc2N1C(=O)[C@@H](N)CCC(=O)[O-] ZINC000085818397 135038211 /nfs/dbraw/zinc/03/82/11/135038211.db2.gz XRQMNUCQTSJKJC-PWSUYJOCSA-N -1 3 276.336 1.546 10 0 CDAEHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccs1 ZINC000246002659 140280182 /nfs/dbraw/zinc/28/01/82/140280182.db2.gz JCFPJRPDOSKNGY-AXFHLTTASA-N -1 3 287.406 1.984 10 0 CDAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CC2(CCC2)c2ccccc21 ZINC000336354716 140621942 /nfs/dbraw/zinc/62/19/42/140621942.db2.gz XLKODKGBLFREGR-NSHDSACASA-N -1 3 299.330 1.053 10 0 CDAEHM COC[C@H](COc1ccc2c([O-])coc2c1)OC ZINC000664135427 413097113 /nfs/dbraw/zinc/09/71/13/413097113.db2.gz LINMFDASUGUWHO-SNVBAGLBSA-N -1 3 252.266 1.302 10 0 CDAEHM COc1cc(=NC(=O)[C@H]2C[C@H]2C2CCCC2)[n-]n1C ZINC000649936771 398051294 /nfs/dbraw/zinc/05/12/94/398051294.db2.gz HQFZOUHLWSBJBU-QWRGUYRKSA-N -1 3 263.341 1.615 10 0 CDAEHM COc1nc(NC(=O)[C@H]2C[C@H]2C2CCCC2)n[n-]1 ZINC000651634363 398131029 /nfs/dbraw/zinc/13/10/29/398131029.db2.gz YOHBWQOCCFQUFQ-IUCAKERBSA-N -1 3 250.302 1.578 10 0 CDAEHM COc1nnc(NC(=O)[C@H]2C[C@H]2C2CCCC2)[n-]1 ZINC000651634363 398131030 /nfs/dbraw/zinc/13/10/30/398131030.db2.gz YOHBWQOCCFQUFQ-IUCAKERBSA-N -1 3 250.302 1.578 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H]2C[C@H]2C2CCCC2)n1 ZINC000651634363 398131032 /nfs/dbraw/zinc/13/10/32/398131032.db2.gz YOHBWQOCCFQUFQ-IUCAKERBSA-N -1 3 250.302 1.578 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)CC[C@H]2CCOC2)n[n-]1 ZINC000119850649 147328989 /nfs/dbraw/zinc/32/89/89/147328989.db2.gz RFBJKVAZPFZGEB-JTQLQIEISA-N -1 3 289.339 1.565 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)CC[C@H]2CCOC2)[n-]n1 ZINC000119850649 147328993 /nfs/dbraw/zinc/32/89/93/147328993.db2.gz RFBJKVAZPFZGEB-JTQLQIEISA-N -1 3 289.339 1.565 10 0 CDAEHM CCOc1cccnc1C(=O)[N-]c1nnc(C)s1 ZINC000176145641 148025151 /nfs/dbraw/zinc/02/51/51/148025151.db2.gz MZHXKFRNFMTHHY-UHFFFAOYSA-N -1 3 264.310 1.893 10 0 CDAEHM Cn1cc([C@@H](NC(=O)c2c[n-]nn2)C(C)(C)C)cn1 ZINC000352439475 155188681 /nfs/dbraw/zinc/18/86/81/155188681.db2.gz RMULBIPTYWZZEJ-SNVBAGLBSA-N -1 3 262.317 1.055 10 0 CDAEHM Cn1cc([C@@H](NC(=O)c2cnn[n-]2)C(C)(C)C)cn1 ZINC000352439475 155188685 /nfs/dbraw/zinc/18/86/85/155188685.db2.gz RMULBIPTYWZZEJ-SNVBAGLBSA-N -1 3 262.317 1.055 10 0 CDAEHM Cn1cc([C@@H](NC(=O)c2cn[n-]n2)C(C)(C)C)cn1 ZINC000352439475 155188688 /nfs/dbraw/zinc/18/86/88/155188688.db2.gz RMULBIPTYWZZEJ-SNVBAGLBSA-N -1 3 262.317 1.055 10 0 CDAEHM O=C(/C=C/c1cncc([O-])c1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000182132804 148243039 /nfs/dbraw/zinc/24/30/39/148243039.db2.gz FPKSNRVOZMNTKY-CSDYLXSXSA-N -1 3 288.347 1.828 10 0 CDAEHM C[C@@H](NC(=O)c1cccc([O-])c1)C(=O)NCc1ccccc1 ZINC000182194646 148247128 /nfs/dbraw/zinc/24/71/28/148247128.db2.gz ZVUFKTCFLVPLJD-GFCCVEGCSA-N -1 3 298.342 1.827 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@H]2CCC[C@H](CO)C2)c1 ZINC000312543848 149234729 /nfs/dbraw/zinc/23/47/29/149234729.db2.gz FXAHYLHIKRXCDT-QWRGUYRKSA-N -1 3 279.336 1.682 10 0 CDAEHM CC(C)CCO[C@@H](C)C(=O)NCc1ncccc1[O-] ZINC000352506199 155235858 /nfs/dbraw/zinc/23/58/58/155235858.db2.gz FKJSHNLLLRHIEG-NSHDSACASA-N -1 3 266.341 1.855 10 0 CDAEHM CN(CC(=O)NCc1ncccc1[O-])Cc1ccccc1 ZINC000352510608 155239592 /nfs/dbraw/zinc/23/95/92/155239592.db2.gz UNDMECBGIWXQPM-UHFFFAOYSA-N -1 3 285.347 1.535 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)c1 ZINC000334898546 150050547 /nfs/dbraw/zinc/05/05/47/150050547.db2.gz ONCQXEWIWPCXFS-NXEZZACHSA-N -1 3 275.349 1.462 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC(C)(C)O2)o1 ZINC000335894829 151091091 /nfs/dbraw/zinc/09/10/91/151091091.db2.gz SSPJNIXKBBFSPM-JTQLQIEISA-N -1 3 273.354 1.824 10 0 CDAEHM CC[C@H]1[C@H](CO)CCN1C(=O)c1cccc(C)c1[O-] ZINC000335899544 151095742 /nfs/dbraw/zinc/09/57/42/151095742.db2.gz JJBBPTSILVLRLR-AAEUAGOBSA-N -1 3 263.337 1.934 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2ncccc2C)o1 ZINC000335951159 151144153 /nfs/dbraw/zinc/14/41/53/151144153.db2.gz WRYPQFROWYTSGW-UHFFFAOYSA-N -1 3 266.322 1.770 10 0 CDAEHM Cc1nc(C)c(CCC(=O)N2[C@H](C)C[C@@H]2C)c(=O)[n-]1 ZINC000336066646 151240363 /nfs/dbraw/zinc/24/03/63/151240363.db2.gz OKPYVRNDRGXIIX-DTORHVGOSA-N -1 3 263.341 1.741 10 0 CDAEHM C[C@@H]1CSCCN(S(=O)(=O)c2ccc([O-])cc2)C1 ZINC000336230932 151377529 /nfs/dbraw/zinc/37/75/29/151377529.db2.gz FHQJRTKPFDAZTM-JTQLQIEISA-N -1 3 287.406 1.766 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@H](C2CC2)C1 ZINC000336256255 151395177 /nfs/dbraw/zinc/39/51/77/151395177.db2.gz VKMKWWGNTXWILO-AWEZNQCLSA-N -1 3 279.311 1.711 10 0 CDAEHM Cc1cc(=NC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)[n-]nc1C ZINC000343547281 152219778 /nfs/dbraw/zinc/21/97/78/152219778.db2.gz NKBWVELFTOCMIF-YPMHNXCESA-N -1 3 291.399 1.462 10 0 CDAEHM COc1cc(C(=O)NCC[C@@H](O)C(F)(F)F)ccc1[O-] ZINC000343766036 152295789 /nfs/dbraw/zinc/29/57/89/152295789.db2.gz OMZAWSPTFVCPOC-SNVBAGLBSA-N -1 3 293.241 1.444 10 0 CDAEHM CCOC(=O)c1cc(C(=O)[N-]c2ccc(C)cn2)on1 ZINC000346145122 153069644 /nfs/dbraw/zinc/06/96/44/153069644.db2.gz GJCQCULNRFZOPT-UHFFFAOYSA-N -1 3 275.264 1.807 10 0 CDAEHM Cc1nn(C)c(C)c1NC(=O)NCc1ncccc1[O-] ZINC000346951053 153356854 /nfs/dbraw/zinc/35/68/54/153356854.db2.gz OGVGIKRMQWSDLW-UHFFFAOYSA-N -1 3 275.312 1.459 10 0 CDAEHM Cc1n[nH]cc1CCCNC(=O)NCc1ncccc1[O-] ZINC000349353868 154096382 /nfs/dbraw/zinc/09/63/82/154096382.db2.gz KPXAQUJBZDXKEX-UHFFFAOYSA-N -1 3 289.339 1.251 10 0 CDAEHM CCCC[C@@H]([N-]S(=O)(=O)CC(C)(C)OC)C(=O)OC ZINC000349501968 154125854 /nfs/dbraw/zinc/12/58/54/154125854.db2.gz QIIAXBHKSRILIJ-SNVBAGLBSA-N -1 3 295.401 1.063 10 0 CDAEHM CO[C@@H](C)[C@@H](C)NC(=O)NCc1ncccc1[O-] ZINC000349955275 154286695 /nfs/dbraw/zinc/28/66/95/154286695.db2.gz QQNFNUDLPQAJOQ-BDAKNGLRSA-N -1 3 253.302 1.010 10 0 CDAEHM CCn1cnnc1[N-]C(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000356190203 157390562 /nfs/dbraw/zinc/39/05/62/157390562.db2.gz ZPZKAGSOPMQZHY-UHFFFAOYSA-N -1 3 284.319 1.608 10 0 CDAEHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)[C@H](C)CO)s1 ZINC000359208994 158163710 /nfs/dbraw/zinc/16/37/10/158163710.db2.gz DPADWLXZOPCTNU-SFYZADRCSA-N -1 3 278.399 1.001 10 0 CDAEHM O=C(Nc1ncc(-c2cccnc2)s1)c1cnn[n-]1 ZINC000359358551 158224268 /nfs/dbraw/zinc/22/42/68/158224268.db2.gz ILYRTUAWZNBAST-UHFFFAOYSA-N -1 3 272.293 1.576 10 0 CDAEHM O=C(Nc1ncc(-c2cccnc2)s1)c1c[n-]nn1 ZINC000359358551 158224271 /nfs/dbraw/zinc/22/42/71/158224271.db2.gz ILYRTUAWZNBAST-UHFFFAOYSA-N -1 3 272.293 1.576 10 0 CDAEHM O=C(Nc1ncc(-c2cccnc2)s1)c1cn[n-]n1 ZINC000359358551 158224272 /nfs/dbraw/zinc/22/42/72/158224272.db2.gz ILYRTUAWZNBAST-UHFFFAOYSA-N -1 3 272.293 1.576 10 0 CDAEHM CCc1ccc(S(=O)(=O)[N-]c2ccc(=O)[nH]n2)s1 ZINC000361848691 159000033 /nfs/dbraw/zinc/00/00/33/159000033.db2.gz BGOYRMPXNMHKRV-UHFFFAOYSA-N -1 3 285.350 1.607 10 0 CDAEHM O=C(/C=C/c1cncc([O-])c1)N1CC([C@H]2CCOC2)C1 ZINC000366837657 159396863 /nfs/dbraw/zinc/39/68/63/159396863.db2.gz AHHAXZGMWJZHAI-ISUDXETCSA-N -1 3 274.320 1.295 10 0 CDAEHM CC1(C)CC(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000664462925 413406313 /nfs/dbraw/zinc/40/63/13/413406313.db2.gz KORHNFUNNRUALL-UHFFFAOYSA-N -1 3 287.319 1.880 10 0 CDAEHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccccc2N)n1 ZINC000284645046 196102020 /nfs/dbraw/zinc/10/20/20/196102020.db2.gz LUGPLEQSTMJREE-UHFFFAOYSA-N -1 3 296.352 1.174 10 0 CDAEHM Cc1ccccc1CN(C)C(=O)CNCCC(=O)[O-] ZINC000035386162 172167855 /nfs/dbraw/zinc/16/78/55/172167855.db2.gz NVEABZZFGRYXAM-UHFFFAOYSA-N -1 3 264.325 1.018 10 0 CDAEHM O=C([O-])CCNCC(=O)N1CCC[C@@H]1c1cccs1 ZINC000035386297 172168125 /nfs/dbraw/zinc/16/81/25/172168125.db2.gz HOJQRIUNYSRKRQ-SNVBAGLBSA-N -1 3 282.365 1.476 10 0 CDAEHM NCc1cc(=O)[n-]c(CNC(=O)NCCC2CCCC2)n1 ZINC000659434173 413815295 /nfs/dbraw/zinc/81/52/95/413815295.db2.gz IKUMEKGIFYNTJJ-UHFFFAOYSA-N -1 3 293.371 1.020 10 0 CDAEHM C[C@@H]1CCN(CC(=O)Nc2c([O-])cccc2F)C1 ZINC000654966376 413848622 /nfs/dbraw/zinc/84/86/22/413848622.db2.gz XIERQRAMWCNPFP-SECBINFHSA-N -1 3 252.289 1.812 10 0 CDAEHM O=S(=O)([N-][C@@H]1C[C@@H](O)C12CCC2)c1cccs1 ZINC000657184446 414017335 /nfs/dbraw/zinc/01/73/35/414017335.db2.gz JARSXVGDOWCOCI-RKDXNWHRSA-N -1 3 273.379 1.330 10 0 CDAEHM CN(CCN1CCCCC1)C(=O)[C@H](C(=O)[O-])C1CC1 ZINC000663119384 413959875 /nfs/dbraw/zinc/95/98/75/413959875.db2.gz LZTPSRJUFKKZKC-GFCCVEGCSA-N -1 3 268.357 1.042 10 0 CDAEHM C[C@H](CC(=O)Nc1c([O-])cccc1Cl)NC(N)=O ZINC000655110333 414049337 /nfs/dbraw/zinc/04/93/37/414049337.db2.gz KSNVVYPEWJPHKH-ZCFIWIBFSA-N -1 3 271.704 1.431 10 0 CDAEHM Cc1cc(=O)[n-]c(S[C@@H](CN)C(F)(F)F)n1 ZINC000037178128 173011223 /nfs/dbraw/zinc/01/12/23/173011223.db2.gz NPHSOUKVESXJPW-YFKPBYRVSA-N -1 3 253.249 1.472 10 0 CDAEHM CN[C@@H](C(=O)[O-])c1ccc(OC)c(OC)c1OC ZINC000037181077 173013983 /nfs/dbraw/zinc/01/39/83/173013983.db2.gz NFQNIGGDOKELEH-SECBINFHSA-N -1 3 255.270 1.058 10 0 CDAEHM CC[C@@H](C)[C@H](NC(=O)c1ccc(CN(C)C)cc1)C(=O)[O-] ZINC000037448662 173216235 /nfs/dbraw/zinc/21/62/35/173216235.db2.gz ASVUZPNINOQDKE-RISCZKNCSA-N -1 3 292.379 1.977 10 0 CDAEHM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1c[nH]nc1N ZINC000037559599 173270728 /nfs/dbraw/zinc/27/07/28/173270728.db2.gz UJUCUHMERDPQNC-MRVPVSSYSA-N -1 3 260.363 1.095 10 0 CDAEHM Cc1cc(C)c(C(=O)[O-])c(NC[C@H]2COCCO2)n1 ZINC000038063156 174074651 /nfs/dbraw/zinc/07/46/51/174074651.db2.gz RVOSQSUBRUQSTF-JTQLQIEISA-N -1 3 266.297 1.224 10 0 CDAEHM CC[C@@H](NC(=O)c1cccc(C)c1[O-])C(N)=S ZINC000040353477 174245256 /nfs/dbraw/zinc/24/52/56/174245256.db2.gz YKDYESMZDZJBRD-SECBINFHSA-N -1 3 252.339 1.495 10 0 CDAEHM NC(=S)C1([N-]S(=O)(=O)c2cccs2)CCCC1 ZINC000040363926 174247472 /nfs/dbraw/zinc/24/74/72/174247472.db2.gz AKFYEGSLXIMYTN-UHFFFAOYSA-N -1 3 290.435 1.625 10 0 CDAEHM CN1CCC[C@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000040452290 174266365 /nfs/dbraw/zinc/26/63/65/174266365.db2.gz WQTMWIQRZUYXQS-JTQLQIEISA-N -1 3 268.744 1.870 10 0 CDAEHM CC[C@H](N)C(=O)N(CC(=O)[O-])c1ccc(Cl)cc1 ZINC000040484746 174288216 /nfs/dbraw/zinc/28/82/16/174288216.db2.gz IDLBSAPXZIBPGR-JTQLQIEISA-N -1 3 270.716 1.495 10 0 CDAEHM C[C@@](N)(C(=O)NCc1cccc(C(=O)[O-])c1)C1CC1 ZINC000040486417 174289093 /nfs/dbraw/zinc/28/90/93/174289093.db2.gz LCGKEVVGDWNHSJ-AWEZNQCLSA-N -1 3 262.309 1.128 10 0 CDAEHM CCN1CCC[C@@H]1CNC(=O)Nc1ccccc1C(=O)[O-] ZINC000040552823 174329790 /nfs/dbraw/zinc/32/97/90/174329790.db2.gz OBPPENZVGFGIHH-LLVKDONJSA-N -1 3 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ZINC000185258557 539146804 /nfs/dbraw/zinc/14/68/04/539146804.db2.gz VLBCFLDVNUKTBW-JTQLQIEISA-N -1 3 284.385 1.434 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H]3CCC[C@]3(CO)C2)n1 ZINC000626014960 342288983 /nfs/dbraw/zinc/28/89/83/342288983.db2.gz BIWQWWXJWZIEJG-SLEUVZQESA-N -1 3 277.368 1.646 10 0 CDAEHM O=C(NCC1CCC(O)CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000619412896 349692199 /nfs/dbraw/zinc/69/21/99/349692199.db2.gz UJRXTVSOKPYHAA-UHFFFAOYSA-N -1 3 291.351 1.341 10 0 CDAEHM CN(C)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000071140082 282200084 /nfs/dbraw/zinc/20/00/84/282200084.db2.gz IYOLLEVJAFUCBT-SNVBAGLBSA-N -1 3 268.744 1.822 10 0 CDAEHM COc1cccc(C(=O)NCc2cn3ccccc3n2)c1[O-] ZINC000078229493 342334426 /nfs/dbraw/zinc/33/44/26/342334426.db2.gz SKOUDGJZRTVVOF-UHFFFAOYSA-N -1 3 297.314 1.979 10 0 CDAEHM CCN(Cc1cc(CO)ccc1F)[C@@H](C)C(=O)[O-] ZINC000629490275 362105315 /nfs/dbraw/zinc/10/53/15/362105315.db2.gz RGZJJAUMGYOYRZ-VIFPVBQESA-N -1 3 255.289 1.613 10 0 CDAEHM Cc1cccc(S(=O)(=O)[N-][C@H]2CCO[C@H]2C)c1F ZINC000273164332 192062465 /nfs/dbraw/zinc/06/24/65/192062465.db2.gz JOPGUDYEDSJRFQ-UWVGGRQHSA-N -1 3 273.329 1.590 10 0 CDAEHM O=C(CNC(=O)c1cccnc1)Nc1cccc([O-])c1F ZINC000536463570 282314678 /nfs/dbraw/zinc/31/46/78/282314678.db2.gz OWWUFDWJHHOSOI-UHFFFAOYSA-N -1 3 289.266 1.295 10 0 CDAEHM C[C@H](CC1CCC1)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000632693473 362416030 /nfs/dbraw/zinc/41/60/30/362416030.db2.gz FMGQNRTXILFSSE-SNVBAGLBSA-N -1 3 299.396 1.523 10 0 CDAEHM C[C@@H]1CCC[C@H](CCNC(=O)CC[C@H]2NC(=O)[N-]C2=O)C1 ZINC000604367705 344884120 /nfs/dbraw/zinc/88/41/20/344884120.db2.gz WRKVJHGIFJYGTH-IJLUTSLNSA-N -1 3 295.383 1.307 10 0 CDAEHM COc1ccc([O-])c(C(=O)NC[C@@H](OC)[C@H]2CCOC2)c1 ZINC000617148401 344933079 /nfs/dbraw/zinc/93/30/79/344933079.db2.gz QSNDGTAMTGGBBL-IINYFYTJSA-N -1 3 295.335 1.182 10 0 CDAEHM CO[C@H](CNC(=O)c1cccc([O-])c1)[C@@H]1CCOC1 ZINC000617152620 344936135 /nfs/dbraw/zinc/93/61/35/344936135.db2.gz LDAZLZPLFBKSRE-DGCLKSJQSA-N 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YORZAZRWLQTERX-ONGXEEELSA-N -1 3 279.340 1.051 10 0 CDAEHM CC(C)(C)[C@@H]1CCN(C(=O)c2cc(=O)[n-]cn2)C[C@@H]1O ZINC000626372330 345277751 /nfs/dbraw/zinc/27/77/51/345277751.db2.gz YORZAZRWLQTERX-KOLCDFICSA-N -1 3 279.340 1.051 10 0 CDAEHM COC[C@@H](NC(=O)c1ccc([O-])c(C)c1)C1CCOCC1 ZINC000617367976 345296881 /nfs/dbraw/zinc/29/68/81/345296881.db2.gz LEAUOTMQNOUYBQ-CQSZACIVSA-N -1 3 293.363 1.872 10 0 CDAEHM Cc1ccc(C(=O)N2CCO[C@@H]([C@@H](C)O)C2)c([O-])c1C ZINC000412926195 362649259 /nfs/dbraw/zinc/64/92/59/362649259.db2.gz PEUGVHVXBCQJLD-DGCLKSJQSA-N -1 3 279.336 1.231 10 0 CDAEHM CN(CCN1CCCC1)C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000085342613 179027085 /nfs/dbraw/zinc/02/70/85/179027085.db2.gz YXEIENBGUURIRU-OLZOCXBDSA-N -1 3 297.399 1.367 10 0 CDAEHM CN(CCN1CCCC1)C(=O)N[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000085342607 179027352 /nfs/dbraw/zinc/02/73/52/179027352.db2.gz YXEIENBGUURIRU-STQMWFEESA-N -1 3 297.399 1.367 10 0 CDAEHM CC[C@@H](NC(=O)N=c1cc(OC)n(C)[n-]1)[C@@H]1CC1(C)C ZINC000571625048 362708348 /nfs/dbraw/zinc/70/83/48/362708348.db2.gz WFRJMQSRUUWTCM-VHSXEESVSA-N -1 3 280.372 1.797 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000085811076 179177441 /nfs/dbraw/zinc/17/74/41/179177441.db2.gz UACXAMHUPRTZPA-MRVPVSSYSA-N -1 3 292.213 1.326 10 0 CDAEHM CSc1cccc(NC(=O)[C@H](N)CC(=O)[O-])c1 ZINC000085810801 179177894 /nfs/dbraw/zinc/17/78/94/179177894.db2.gz RYVMKBBVYYAVNB-SECBINFHSA-N -1 3 254.311 1.149 10 0 CDAEHM COc1cccc([C@@H](C)NC(=O)[C@H](N)CCC(=O)[O-])c1 ZINC000085820086 179182865 /nfs/dbraw/zinc/18/28/65/179182865.db2.gz FHWVYVSOBBLQHV-BXKDBHETSA-N -1 3 280.324 1.065 10 0 CDAEHM Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](N)CCC(=O)[O-])c1 ZINC000085819826 179183219 /nfs/dbraw/zinc/18/32/19/179183219.db2.gz IXIDUDHRYBNGOU-DGCLKSJQSA-N -1 3 278.352 1.673 10 0 CDAEHM CCOc1cc(NC(=O)[C@H](N)CCC(=O)[O-])ccc1OC ZINC000085819771 179183305 /nfs/dbraw/zinc/18/33/05/179183305.db2.gz FGPAUVAQVLHGPL-SNVBAGLBSA-N -1 3 296.323 1.225 10 0 CDAEHM CN(Cc1ccc(Cl)s1)C(=O)[C@@H](N)CCC(=O)[O-] ZINC000085820398 179183654 /nfs/dbraw/zinc/18/36/54/179183654.db2.gz CEPDNMQHIZRZPS-QMMMGPOBSA-N -1 3 290.772 1.552 10 0 CDAEHM CC[C@H](NC(=O)[C@H](N)CCC(=O)[O-])c1cccs1 ZINC000085843059 179186243 /nfs/dbraw/zinc/18/62/43/179186243.db2.gz LCIKOFHMGMRUJJ-BDAKNGLRSA-N -1 3 270.354 1.508 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000085815017 179179047 /nfs/dbraw/zinc/17/90/47/179179047.db2.gz JPDMKCBSNIVHAS-JTQLQIEISA-N -1 3 291.332 1.551 10 0 CDAEHM Cc1ccc(NC(=O)[C@H](N)CC(=O)[O-])c2cccnc12 ZINC000085814691 179179151 /nfs/dbraw/zinc/17/91/51/179179151.db2.gz VWUJRPVMDLLJHC-SNVBAGLBSA-N -1 3 273.292 1.284 10 0 CDAEHM CCc1ccc(N(C)C(=O)[C@@H](N)CC(=O)[O-])cc1 ZINC000085817803 179180272 /nfs/dbraw/zinc/18/02/72/179180272.db2.gz GMQXIEUBSJZGNA-NSHDSACASA-N -1 3 250.298 1.014 10 0 CDAEHM C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@@H](N)CC(=O)[O-] ZINC000085815940 179180388 /nfs/dbraw/zinc/18/03/88/179180388.db2.gz PSHJESDSNDDGBT-HQJQHLMTSA-N -1 3 286.278 1.286 10 0 CDAEHM O=C([O-])c1ccc(CNC[C@@H]2CCCC[C@@H]2O)o1 ZINC000085978692 179208636 /nfs/dbraw/zinc/20/86/36/179208636.db2.gz OSQCDDDTHHTOTI-ONGXEEELSA-N -1 3 253.298 1.619 10 0 CDAEHM COc1nc(NC(=O)C2(OC)CCC(F)(F)CC2)n[n-]1 ZINC000613194977 347460785 /nfs/dbraw/zinc/46/07/85/347460785.db2.gz AZSRABGLSSQYBN-UHFFFAOYSA-N -1 3 290.270 1.346 10 0 CDAEHM COc1nnc(NC(=O)C2(OC)CCC(F)(F)CC2)[n-]1 ZINC000613194977 347460788 /nfs/dbraw/zinc/46/07/88/347460788.db2.gz AZSRABGLSSQYBN-UHFFFAOYSA-N -1 3 290.270 1.346 10 0 CDAEHM COc1n[n-]c(NC(=O)C2(OC)CCC(F)(F)CC2)n1 ZINC000613194977 347460792 /nfs/dbraw/zinc/46/07/92/347460792.db2.gz AZSRABGLSSQYBN-UHFFFAOYSA-N -1 3 290.270 1.346 10 0 CDAEHM Cn1cc(CCC(=O)Nc2ccc([O-])cc2F)nn1 ZINC000613332919 347688817 /nfs/dbraw/zinc/68/88/17/347688817.db2.gz ZMRQXZJPFGMEOZ-UHFFFAOYSA-N -1 3 264.260 1.231 10 0 CDAEHM COc1cccc(C(=O)N[C@@H]2CCC[C@@H](O)C2)c1[O-] ZINC000614144316 348013845 /nfs/dbraw/zinc/01/38/45/348013845.db2.gz SWGSZVRNPSDPEH-NXEZZACHSA-N -1 3 265.309 1.434 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1ccc2c(c1)CCOC2 ZINC000614256361 348059927 /nfs/dbraw/zinc/05/99/27/348059927.db2.gz ZBTUKQDZKZKWPO-UHFFFAOYSA-N -1 3 284.315 1.790 10 0 CDAEHM CC(C)C[C@@H](CO)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000450726984 362873856 /nfs/dbraw/zinc/87/38/56/362873856.db2.gz WWGLXQRIGAFYFC-LBPRGKRZSA-N -1 3 283.343 1.939 10 0 CDAEHM O=C([N-]c1nnc2[nH]cnn12)[C@@H]1C[C@H]1C1CCCC1 ZINC000614997113 348298947 /nfs/dbraw/zinc/29/89/47/348298947.db2.gz SBROFGAVVPQAHT-DTWKUNHWSA-N -1 3 260.301 1.217 10 0 CDAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CC[C@H]1C(F)(F)F ZINC000615028582 348310739 /nfs/dbraw/zinc/31/07/39/348310739.db2.gz BYNOXVBGPNWWQH-QMMMGPOBSA-N -1 3 288.204 1.874 10 0 CDAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CC[C@H]1C(F)(F)F ZINC000615028582 348310740 /nfs/dbraw/zinc/31/07/40/348310740.db2.gz BYNOXVBGPNWWQH-QMMMGPOBSA-N -1 3 288.204 1.874 10 0 CDAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CC[C@H]1C(F)(F)F ZINC000615028582 348310742 /nfs/dbraw/zinc/31/07/42/348310742.db2.gz BYNOXVBGPNWWQH-QMMMGPOBSA-N -1 3 288.204 1.874 10 0 CDAEHM CSc1ccc([O-])c(C(=O)NC2COCCOC2)c1 ZINC000615175225 348370892 /nfs/dbraw/zinc/37/08/92/348370892.db2.gz GEUXZIHDFCRRNQ-UHFFFAOYSA-N -1 3 283.349 1.259 10 0 CDAEHM CS[C@@H](C)CC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000619871409 348430914 /nfs/dbraw/zinc/43/09/14/348430914.db2.gz GWCGCFBXNYRNBW-IUCAKERBSA-N -1 3 283.401 1.033 10 0 CDAEHM CCCNCC(=O)Nc1cc(C(=O)[O-])ccc1OC ZINC000104204797 185929858 /nfs/dbraw/zinc/92/98/58/185929858.db2.gz QFSPQABYDBNFMS-UHFFFAOYSA-N -1 3 266.297 1.332 10 0 CDAEHM Cc1nc(C)c(CC(=O)N[C@@H]2C[C@@H]2c2ccccc2)c(=O)[n-]1 ZINC000062299074 348913650 /nfs/dbraw/zinc/91/36/50/348913650.db2.gz MBVVVWZSQZZGII-HUUCEWRRSA-N -1 3 297.358 1.602 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2CCC23COC3)cc1[O-] ZINC000615921100 349003391 /nfs/dbraw/zinc/00/33/91/349003391.db2.gz JXPCGIRTTJYOCR-UHFFFAOYSA-N -1 3 261.277 1.210 10 0 CDAEHM CN1CCC([C@@](O)(CC(=O)[O-])c2ccccc2)CC1 ZINC000084628760 349228324 /nfs/dbraw/zinc/22/83/24/349228324.db2.gz QXLHRPBOETVING-OAHLLOKOSA-N -1 3 263.337 1.691 10 0 CDAEHM CCOCCC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616025176 349253264 /nfs/dbraw/zinc/25/32/64/349253264.db2.gz LWJNZQJHCAWLBN-UHFFFAOYSA-N -1 3 274.320 1.983 10 0 CDAEHM CCN=c1[n-]c(C(=O)NCC[C@H]2CC2(F)F)cs1 ZINC000622199272 351067485 /nfs/dbraw/zinc/06/74/85/351067485.db2.gz QTWVLJMEIUMQLY-ZETCQYMHSA-N -1 3 275.324 1.772 10 0 CDAEHM C[C@@H](C1CCN(C)CC1)N(C)C(=O)N=c1[n-]ncs1 ZINC000351510524 295820034 /nfs/dbraw/zinc/82/00/34/295820034.db2.gz MYUPFEWVHYHGPH-VIFPVBQESA-N -1 3 283.401 1.154 10 0 CDAEHM O=C(Cc1cncc([O-])c1)NCc1ccc(Cl)cn1 ZINC000622484545 351190008 /nfs/dbraw/zinc/19/00/08/351190008.db2.gz PHCGMJITMJZEIT-UHFFFAOYSA-N -1 3 277.711 1.695 10 0 CDAEHM COc1cccc(CNC(=O)Cc2cncc([O-])c2)n1 ZINC000622338641 351131197 /nfs/dbraw/zinc/13/11/97/351131197.db2.gz SBKIAWHHOULHHC-UHFFFAOYSA-N -1 3 273.292 1.050 10 0 CDAEHM CC1(CNC(=O)Cc2ccc([O-])c(F)c2)COC1 ZINC000622369264 351142953 /nfs/dbraw/zinc/14/29/53/351142953.db2.gz DWPFYVRTYWDTFW-UHFFFAOYSA-N -1 3 253.273 1.227 10 0 CDAEHM CCc1cc(C(=O)N2CCC[C@@H](C(=O)OC)C2)ccc1[O-] ZINC000291404355 198012397 /nfs/dbraw/zinc/01/23/97/198012397.db2.gz BNWXDTQOGXKNOW-CYBMUJFWSA-N -1 3 291.347 1.980 10 0 CDAEHM Cn1nc2c(c1CNC(=O)c1csc(=O)[n-]1)CCCC2 ZINC000569784042 363065263 /nfs/dbraw/zinc/06/52/63/363065263.db2.gz YWSKDTVPNYDYFT-UHFFFAOYSA-N -1 3 292.364 1.391 10 0 CDAEHM CCc1cc(C(=O)N[C@@H](C)Cn2cncn2)ccc1[O-] ZINC000291468523 198030709 /nfs/dbraw/zinc/03/07/09/198030709.db2.gz LNOVZUJUCXXMGV-JTQLQIEISA-N -1 3 274.324 1.365 10 0 CDAEHM CCc1cc(C(=O)N[C@H](C)Cn2cncn2)ccc1[O-] ZINC000291468525 198030908 /nfs/dbraw/zinc/03/09/08/198030908.db2.gz LNOVZUJUCXXMGV-SNVBAGLBSA-N -1 3 274.324 1.365 10 0 CDAEHM Cc1cc(F)c(S(=O)(=O)[N-]CC2(C)COC2)cc1F ZINC000122229039 187021865 /nfs/dbraw/zinc/02/18/65/187021865.db2.gz OYOOBKWSVOFSFN-UHFFFAOYSA-N -1 3 291.319 1.588 10 0 CDAEHM COc1cccc(C(=O)NC[C@@H](O)C(C)(C)C)c1[O-] ZINC000133257178 187674460 /nfs/dbraw/zinc/67/44/60/187674460.db2.gz VDSZFSFXMDBLJS-LLVKDONJSA-N -1 3 267.325 1.538 10 0 CDAEHM C[C@H]1CCN(Cc2nc(=O)[n-][nH]2)[C@@H]1c1cccc(F)c1 ZINC000271612112 191239436 /nfs/dbraw/zinc/23/94/36/191239436.db2.gz KVPKFOMOUMVCEQ-ZANVPECISA-N -1 3 276.315 1.820 10 0 CDAEHM COc1nnc(NC(=O)COc2ccc(Cl)cc2C)[n-]1 ZINC000158193297 188362124 /nfs/dbraw/zinc/36/21/24/188362124.db2.gz SNKFPWKVKPINOI-UHFFFAOYSA-N -1 3 296.714 1.793 10 0 CDAEHM COc1nc(NC(=O)COc2ccc(Cl)cc2C)n[n-]1 ZINC000158193297 188362126 /nfs/dbraw/zinc/36/21/26/188362126.db2.gz SNKFPWKVKPINOI-UHFFFAOYSA-N -1 3 296.714 1.793 10 0 CDAEHM COc1n[n-]c(NC(=O)COc2ccc(Cl)cc2C)n1 ZINC000158193297 188362128 /nfs/dbraw/zinc/36/21/28/188362128.db2.gz SNKFPWKVKPINOI-UHFFFAOYSA-N -1 3 296.714 1.793 10 0 CDAEHM C[C@]1(F)CCCN(C(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000336298527 363317474 /nfs/dbraw/zinc/31/74/74/363317474.db2.gz BJRMSKJWFVDNNJ-HNNXBMFYSA-N -1 3 294.326 1.473 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-]C2(CF)CCOCC2)c1 ZINC000336307249 363337717 /nfs/dbraw/zinc/33/77/17/363337717.db2.gz CGKLCLXCSMKIHG-UHFFFAOYSA-N -1 3 293.385 1.854 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2CC(=O)c3ccccc32)[n-]1 ZINC000356215893 366177839 /nfs/dbraw/zinc/17/78/39/366177839.db2.gz IFCFHMRIJHKPHS-SECBINFHSA-N -1 3 272.264 1.122 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2CC(=O)c3ccccc32)n[n-]1 ZINC000356215893 366177843 /nfs/dbraw/zinc/17/78/43/366177843.db2.gz IFCFHMRIJHKPHS-SECBINFHSA-N -1 3 272.264 1.122 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2CC(=O)c3ccccc32)n1 ZINC000356215893 366177847 /nfs/dbraw/zinc/17/78/47/366177847.db2.gz IFCFHMRIJHKPHS-SECBINFHSA-N -1 3 272.264 1.122 10 0 CDAEHM CC1(C)CCC[C@@](O)(CN=c2ncnc3[nH][n-]cc2-3)C1 ZINC000445478835 355928213 /nfs/dbraw/zinc/92/82/13/355928213.db2.gz DWOLLVQCTOSRMF-AWEZNQCLSA-N -1 3 275.356 1.470 10 0 CDAEHM Nc1c([O-])cc(I)cc1F ZINC000219568570 356373530 /nfs/dbraw/zinc/37/35/30/356373530.db2.gz YNICCSSEFOBOFU-UHFFFAOYSA-N -1 3 253.014 1.718 10 0 CDAEHM COc1cc(C(=O)N2CC(C)(F)C2)cc(OC)c1[O-] ZINC000684327289 482755732 /nfs/dbraw/zinc/75/57/32/482755732.db2.gz NWQBWHYNHCDGRX-UHFFFAOYSA-N -1 3 269.272 1.593 10 0 CDAEHM CCc1[n-]n(C(COC)COC)c(=O)c1C(C)C ZINC000634634742 356611606 /nfs/dbraw/zinc/61/16/06/356611606.db2.gz IRUBPMCNULPQGG-LBPRGKRZSA-N -1 3 256.346 1.528 10 0 CDAEHM O=S(=O)(CC[C@@H]1CCOC1)[N-]C1(C(F)F)CC1 ZINC000328830519 202075979 /nfs/dbraw/zinc/07/59/79/202075979.db2.gz KMHMTZPEJDFADT-QMMMGPOBSA-N -1 3 269.313 1.130 10 0 CDAEHM O=C1[N-]N(c2cc(F)cc(F)c2F)C(=O)[C@@H]2CCC[C@H]12 ZINC000634633361 356606937 /nfs/dbraw/zinc/60/69/37/356606937.db2.gz TWJBAPIGOQVSAN-JGVFFNPUSA-N -1 3 284.237 1.898 10 0 CDAEHM CCN=c1[n-]c(C(=O)NC[C@H]2C[C@@H](OC)C2)cs1 ZINC000629814466 363540825 /nfs/dbraw/zinc/54/08/25/363540825.db2.gz RWTWROIEJYSUIU-DTORHVGOSA-N -1 3 269.370 1.152 10 0 CDAEHM CS(=O)(=O)c1c2ccc(N)cc2oc1C(=O)[O-] ZINC000584881817 356665767 /nfs/dbraw/zinc/66/57/67/356665767.db2.gz RTAOYCSCSQJTHQ-UHFFFAOYSA-N -1 3 255.251 1.117 10 0 CDAEHM CC[C@@]1(c2ccc(Br)cc2)NC(=O)[N-]C1=O ZINC000019257750 356736749 /nfs/dbraw/zinc/73/67/49/356736749.db2.gz FNBXHQSJHUSACN-NSHDSACASA-N -1 3 283.125 1.894 10 0 CDAEHM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632173411 356846917 /nfs/dbraw/zinc/84/69/17/356846917.db2.gz DAOVWXUQZWXIFY-MRVPVSSYSA-N -1 3 299.377 1.592 10 0 CDAEHM C[C@H](CNC(=O)c1cccc([O-])c1)CN1CCOCC1 ZINC000082260065 358152987 /nfs/dbraw/zinc/15/29/87/358152987.db2.gz DVLNVPVYYSDFES-GFCCVEGCSA-N -1 3 278.352 1.090 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC([C@@H](C)O)CC2)n1 ZINC000192585874 358218554 /nfs/dbraw/zinc/21/85/54/358218554.db2.gz BQWQTZAUKYFLLE-GHMZBOCLSA-N -1 3 265.357 1.644 10 0 CDAEHM CCn1c(C)nnc1C[S@@](=O)c1ccc([O-])cc1 ZINC000194527729 358377292 /nfs/dbraw/zinc/37/72/92/358377292.db2.gz WGXAJAVTYVWGPR-GOSISDBHSA-N -1 3 265.338 1.620 10 0 CDAEHM O=S(=O)(C[C@H]1CCCCN1)c1nc2ccccc2[n-]1 ZINC000095073154 358673660 /nfs/dbraw/zinc/67/36/60/358673660.db2.gz HSEZBVIUTDVZKN-SNVBAGLBSA-N -1 3 279.365 1.479 10 0 CDAEHM Cc1ccccc1C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297647192 200252702 /nfs/dbraw/zinc/25/27/02/200252702.db2.gz DUKIPYLWZHDXQI-UHFFFAOYSA-N -1 3 285.307 1.258 10 0 CDAEHM Cc1ccccc1C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297647192 200252703 /nfs/dbraw/zinc/25/27/03/200252703.db2.gz DUKIPYLWZHDXQI-UHFFFAOYSA-N -1 3 285.307 1.258 10 0 CDAEHM Cc1ccccc1C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297647192 200252705 /nfs/dbraw/zinc/25/27/05/200252705.db2.gz DUKIPYLWZHDXQI-UHFFFAOYSA-N -1 3 285.307 1.258 10 0 CDAEHM CCc1ncc(CNC(=O)c2cccc(OC)c2[O-])o1 ZINC000456486595 363680380 /nfs/dbraw/zinc/68/03/80/363680380.db2.gz CABALRFXAZOHSF-UHFFFAOYSA-N -1 3 276.292 1.881 10 0 CDAEHM CN(C)c1nc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)cc(=O)[n-]1 ZINC000408242413 359997002 /nfs/dbraw/zinc/99/70/02/359997002.db2.gz UJECIDPGCMFOEP-QWRGUYRKSA-N -1 3 290.367 1.510 10 0 CDAEHM O=S(=O)([N-]C1(C(F)F)CC1)c1cccc(F)c1 ZINC000335452237 360200781 /nfs/dbraw/zinc/20/07/81/360200781.db2.gz GIKHMBLVEUSRIG-UHFFFAOYSA-N -1 3 265.256 1.902 10 0 CDAEHM CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cncc([O-])c2)C1 ZINC000176935157 189015191 /nfs/dbraw/zinc/01/51/91/189015191.db2.gz FVGGNVVYKVXLKQ-MFKMUULPSA-N -1 3 263.341 1.246 10 0 CDAEHM O=C([N-]CCCN1CCO[C@H]2CCCC[C@H]21)C(F)(F)F ZINC000154319684 360334444 /nfs/dbraw/zinc/33/44/44/360334444.db2.gz WSQIZMLJPVLTHY-MNOVXSKESA-N -1 3 294.317 1.698 10 0 CDAEHM O=C(Nc1ccc2c(c1)C(=O)NC2)c1cccc([O-])c1 ZINC000336541057 363718105 /nfs/dbraw/zinc/71/81/05/363718105.db2.gz AYDQXNQALLCOJN-UHFFFAOYSA-N -1 3 268.272 1.888 10 0 CDAEHM C[C@@H]1CCCN1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000408284611 360369191 /nfs/dbraw/zinc/36/91/91/360369191.db2.gz BFGNYDBVYRTEBC-SECBINFHSA-N -1 3 280.353 1.704 10 0 CDAEHM COc1cccc([N-]S(=O)(=O)N2CCC[C@@H]2C)c1O ZINC000408285993 360378092 /nfs/dbraw/zinc/37/80/92/360378092.db2.gz KBNUOBVIBFEXRZ-VIFPVBQESA-N -1 3 286.353 1.542 10 0 CDAEHM O=C(NCc1nnc(C(F)(F)F)[n-]1)C1(CCF)CC1 ZINC000355906118 360462305 /nfs/dbraw/zinc/46/23/05/360462305.db2.gz WTRRBJBTFAFIOI-UHFFFAOYSA-N -1 3 280.225 1.580 10 0 CDAEHM O=C(NCc1n[n-]c(C(F)(F)F)n1)C1(CCF)CC1 ZINC000355906118 360462308 /nfs/dbraw/zinc/46/23/08/360462308.db2.gz WTRRBJBTFAFIOI-UHFFFAOYSA-N -1 3 280.225 1.580 10 0 CDAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C1(CCF)CC1 ZINC000355906118 360462310 /nfs/dbraw/zinc/46/23/10/360462310.db2.gz WTRRBJBTFAFIOI-UHFFFAOYSA-N -1 3 280.225 1.580 10 0 CDAEHM CCC[C@H](C(=O)OCC)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000516475825 360607408 /nfs/dbraw/zinc/60/74/08/360607408.db2.gz LZBHSCOYRWBYRA-IJLUTSLNSA-N -1 3 271.357 1.761 10 0 CDAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)[C@H]1CCC[C@H](F)C1 ZINC000584347314 360977354 /nfs/dbraw/zinc/97/73/54/360977354.db2.gz ANCFULPLCVSTNP-YUMQZZPRSA-N -1 3 295.318 1.164 10 0 CDAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)[C@H]1CCC[C@H](F)C1 ZINC000584347314 360977360 /nfs/dbraw/zinc/97/73/60/360977360.db2.gz ANCFULPLCVSTNP-YUMQZZPRSA-N -1 3 295.318 1.164 10 0 CDAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)[C@H]1CCC[C@H](F)C1 ZINC000584347314 360977363 /nfs/dbraw/zinc/97/73/63/360977363.db2.gz ANCFULPLCVSTNP-YUMQZZPRSA-N -1 3 295.318 1.164 10 0 CDAEHM O=C(N=c1cc(-c2ccccc2F)o[n-]1)c1ccncn1 ZINC000448491615 360951547 /nfs/dbraw/zinc/95/15/47/360951547.db2.gz VUUPKOMTZLMWPJ-UHFFFAOYSA-N -1 3 284.250 1.945 10 0 CDAEHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@H]2CC23CC3)ccc1F ZINC000643331248 361063336 /nfs/dbraw/zinc/06/33/36/361063336.db2.gz URRYYCXCPWWTCD-SECBINFHSA-N -1 3 298.339 1.936 10 0 CDAEHM COc1nnc(NC(=O)c2ccnn2-c2ccccc2)[n-]1 ZINC000350702690 361138859 /nfs/dbraw/zinc/13/88/59/361138859.db2.gz RIMGTTJFHCNCFV-UHFFFAOYSA-N -1 3 284.279 1.251 10 0 CDAEHM COc1nc(NC(=O)c2ccnn2-c2ccccc2)n[n-]1 ZINC000350702690 361138864 /nfs/dbraw/zinc/13/88/64/361138864.db2.gz RIMGTTJFHCNCFV-UHFFFAOYSA-N -1 3 284.279 1.251 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccnn2-c2ccccc2)n1 ZINC000350702690 361138868 /nfs/dbraw/zinc/13/88/68/361138868.db2.gz RIMGTTJFHCNCFV-UHFFFAOYSA-N -1 3 284.279 1.251 10 0 CDAEHM CC1CCC(CN=c2[n-]c(C(N)=O)cs2)CC1 ZINC000432318634 361142607 /nfs/dbraw/zinc/14/26/07/361142607.db2.gz UDWYBTSLQSSCRX-UHFFFAOYSA-N -1 3 253.371 1.902 10 0 CDAEHM CCN1CCN(CC(=O)Nc2ccc(Cl)cc2[O-])CC1 ZINC000339007821 361207386 /nfs/dbraw/zinc/20/73/86/361207386.db2.gz UQXZLGGDVZKHBL-UHFFFAOYSA-N -1 3 297.786 1.622 10 0 CDAEHM COC(=O)c1sccc1S(=O)(=O)[N-]CC[C@@H](C)F ZINC000339033851 361227247 /nfs/dbraw/zinc/22/72/47/361227247.db2.gz TXJODFFLRZIKKP-SSDOTTSWSA-N -1 3 295.357 1.561 10 0 CDAEHM CCc1ncc(S(=O)(=O)[N-]CC[C@H](C)F)s1 ZINC000339033939 361227776 /nfs/dbraw/zinc/22/77/76/361227776.db2.gz WMVDJTRKZQMVAE-ZETCQYMHSA-N -1 3 266.363 1.732 10 0 CDAEHM CCc1ccc(C(=O)NC[C@@H]2COCCN2C)c([O-])c1 ZINC000628914054 361288885 /nfs/dbraw/zinc/28/88/85/361288885.db2.gz FXCZJKLIKIHROU-GFCCVEGCSA-N -1 3 278.352 1.015 10 0 CDAEHM CN1CCOC[C@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000628924419 361312457 /nfs/dbraw/zinc/31/24/57/361312457.db2.gz VNXXHPLLYFSROQ-SECBINFHSA-N -1 3 284.743 1.106 10 0 CDAEHM COc1ccc(C(=O)NCC2(C)OCCCO2)c([O-])c1 ZINC000278016298 366726117 /nfs/dbraw/zinc/72/61/17/366726117.db2.gz XQUSQNHVNPIAKD-UHFFFAOYSA-N -1 3 281.308 1.284 10 0 CDAEHM CCO[N-]C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000097596685 361331617 /nfs/dbraw/zinc/33/16/17/361331617.db2.gz OZLJGFLJDZDLAG-VIFPVBQESA-N -1 3 258.318 1.311 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCC(Nc2cccnn2)CC1 ZINC000182389515 189322373 /nfs/dbraw/zinc/32/23/73/189322373.db2.gz MOHQKUUQUTUEGL-UHFFFAOYSA-N -1 3 298.346 1.899 10 0 CDAEHM COc1cc(=NC(=O)CC[C@H]2CC[C@@H](C)O2)[n-]n1C ZINC000547493479 361415660 /nfs/dbraw/zinc/41/56/60/361415660.db2.gz AESLVKMWVXYLQL-NXEZZACHSA-N -1 3 267.329 1.137 10 0 CDAEHM O=C(c1c([O-])cccc1O)N1CCOCC2(CC2)C1 ZINC000436772220 361572385 /nfs/dbraw/zinc/57/23/85/361572385.db2.gz NBACYRJECKPCIQ-UHFFFAOYSA-N -1 3 263.293 1.350 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2ccccc2[O-])no1 ZINC000436679449 361556670 /nfs/dbraw/zinc/55/66/70/361556670.db2.gz KOUUBRINUGZTBH-UHFFFAOYSA-N -1 3 262.221 1.419 10 0 CDAEHM C[C@H](O)C[C@H](C)N=c1cc(-c2ccccc2)n2[n-]cnc2n1 ZINC000631203321 361625175 /nfs/dbraw/zinc/62/51/75/361625175.db2.gz OHWNJRCLFMIZNG-RYUDHWBXSA-N -1 3 297.362 1.785 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CCC(=O)[C@@H](C)C2)c1 ZINC000168770916 361658422 /nfs/dbraw/zinc/65/84/22/361658422.db2.gz JOFWGAXXEHLTIE-VIFPVBQESA-N -1 3 263.293 1.452 10 0 CDAEHM O=C(c1cc(-c2ccco2)n[n-]1)N1CCCn2nccc21 ZINC000339713227 361730251 /nfs/dbraw/zinc/73/02/51/361730251.db2.gz VKNHMYMMJBDYID-UHFFFAOYSA-N -1 3 283.291 1.917 10 0 CDAEHM O=C(c1cc(-c2ccco2)[n-]n1)N1CCCn2nccc21 ZINC000339713227 361730255 /nfs/dbraw/zinc/73/02/55/361730255.db2.gz VKNHMYMMJBDYID-UHFFFAOYSA-N -1 3 283.291 1.917 10 0 CDAEHM Cc1cnc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)c([O-])c1 ZINC000457082842 363899125 /nfs/dbraw/zinc/89/91/25/363899125.db2.gz FFSSBHKKJNYMNE-LBPRGKRZSA-N -1 3 277.368 1.650 10 0 CDAEHM CCc1cc(C(=O)N2CCO[C@](C)(COC)C2)ccc1[O-] ZINC000629896611 364108754 /nfs/dbraw/zinc/10/87/54/364108754.db2.gz AAXGAMKSGTZTCI-INIZCTEOSA-N -1 3 293.363 1.832 10 0 CDAEHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000269318776 364179365 /nfs/dbraw/zinc/17/93/65/364179365.db2.gz YDZPKHVRVXXCLD-RNFRBKRXSA-N -1 3 263.750 1.008 10 0 CDAEHM O=S(=O)([N-][C@H]1C[C@H]1CO)c1cnc(Cl)c(Cl)c1 ZINC000170606627 364250244 /nfs/dbraw/zinc/25/02/44/364250244.db2.gz QWCBNCCVCOAHJD-XNCJUZBTSA-N -1 3 297.163 1.048 10 0 CDAEHM O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1cc(F)c[n-]c1=O ZINC000630025837 364437932 /nfs/dbraw/zinc/43/79/32/364437932.db2.gz PVTHGXDDRCEUHD-GXSJLCMTSA-N -1 3 266.272 1.224 10 0 CDAEHM CCCOCC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352983045 364695234 /nfs/dbraw/zinc/69/52/34/364695234.db2.gz IRCJXQLYJZJSHW-SNVBAGLBSA-N -1 3 253.302 1.048 10 0 CDAEHM CO[C@@H](C)c1nc(=NCCN2CCCC2)s[n-]1 ZINC000380157609 364758208 /nfs/dbraw/zinc/75/82/08/364758208.db2.gz UCQWGFAQHIJYRT-VIFPVBQESA-N -1 3 256.375 1.175 10 0 CDAEHM CO[C@@H](C)c1nsc(=NCCN2CCCC2)[n-]1 ZINC000380157609 364758215 /nfs/dbraw/zinc/75/82/15/364758215.db2.gz UCQWGFAQHIJYRT-VIFPVBQESA-N -1 3 256.375 1.175 10 0 CDAEHM C[C@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)C[C@H](C)O1 ZINC000163763031 364763359 /nfs/dbraw/zinc/76/33/59/364763359.db2.gz NEYBFLCWISAUTJ-UWVGGRQHSA-N -1 3 282.315 1.850 10 0 CDAEHM CCOC[C@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412267107 240124494 /nfs/dbraw/zinc/12/44/94/240124494.db2.gz FSYQCMUWBZQBSZ-VIFPVBQESA-N -1 3 265.309 1.750 10 0 CDAEHM COc1cccc(C[C@H](C)N=c2ncnc3[nH][n-]cc2-3)c1 ZINC000353159106 365035376 /nfs/dbraw/zinc/03/53/76/365035376.db2.gz QRRPWKSJLLYCDX-JTQLQIEISA-N -1 3 283.335 1.778 10 0 CDAEHM COCCCOCCN(C)Cc1nc(C)ccc1[O-] ZINC000272401370 365221760 /nfs/dbraw/zinc/22/17/60/365221760.db2.gz XEDMHITXVFSJPT-UHFFFAOYSA-N -1 3 268.357 1.581 10 0 CDAEHM Cc1cc(C(=O)NCCCCN2CCOCC2)ccc1[O-] ZINC000272542976 365284959 /nfs/dbraw/zinc/28/49/59/365284959.db2.gz HDVKZPHFDRQAHD-UHFFFAOYSA-N -1 3 292.379 1.543 10 0 CDAEHM C[C@@H]1C[C@]2(CN1Cc1ccccc1)N[C@H](C(=O)[O-])CS2 ZINC000307130347 365377339 /nfs/dbraw/zinc/37/73/39/365377339.db2.gz ZAGJSIRUNJWLJP-ZLDLUXBVSA-N 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274.411 1.674 10 0 CDAEHM CO[C@H]1CN[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000071392113 176149015 /nfs/dbraw/zinc/14/90/15/176149015.db2.gz IMPFJMUPPYFPFV-KCJUWKMLSA-N -1 3 298.726 1.354 10 0 CDAEHM C[C@@H]1CCCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000408241777 287338823 /nfs/dbraw/zinc/33/88/23/287338823.db2.gz MAXANKOYHAVLSR-SECBINFHSA-N -1 3 264.329 1.120 10 0 CDAEHM O=C(NCc1ncccc1[O-])NC[C@@H]1C[C@H]1C1CC1 ZINC000518104483 260343006 /nfs/dbraw/zinc/34/30/06/260343006.db2.gz IXROVILCBSNLNL-QWRGUYRKSA-N -1 3 261.325 1.633 10 0 CDAEHM CCC[C@@H]1C[C@H]1NC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000518276889 260366840 /nfs/dbraw/zinc/36/68/40/260366840.db2.gz BJMRSLQRVHNWIX-RKDXNWHRSA-N -1 3 252.318 1.161 10 0 CDAEHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1nccn1C ZINC000087678839 1173178545 /nfs/dbraw/zinc/17/85/45/1173178545.db2.gz UNIQWTNDWHAXSY-WDEREUQCSA-N -1 3 253.346 1.789 10 0 CDAEHM C[C@H](CCC[C@H](C)NCc1nccn1C)C(=O)[O-] ZINC000087678845 1173179410 /nfs/dbraw/zinc/17/94/10/1173179410.db2.gz UNIQWTNDWHAXSY-MNOVXSKESA-N -1 3 253.346 1.789 10 0 CDAEHM O=S(=O)([N-][C@@H](C1CC1)C1CCOCC1)c1ccccn1 ZINC000651820818 423773541 /nfs/dbraw/zinc/77/35/41/423773541.db2.gz SBBKTPBGSQDWFB-AWEZNQCLSA-N -1 3 296.392 1.565 10 0 CDAEHM Cc1ccc(CN2CCC(c3n[n-]c(=O)o3)CC2)cn1 ZINC000653661521 424397661 /nfs/dbraw/zinc/39/76/61/424397661.db2.gz WFROMRMKLLDLTC-UHFFFAOYSA-N -1 3 274.324 1.858 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N2C[C@]3(C)COC[C@]3(C)C2)n1 ZINC000661493865 424448442 /nfs/dbraw/zinc/44/84/42/424448442.db2.gz XLMGEQMCYSCSBI-DFBGVHRSSA-N -1 3 277.368 1.910 10 0 CDAEHM O=C([O-])CN(Cc1cn(CC2CC2)nn1)C1CCCCC1 ZINC000652481898 424482484 /nfs/dbraw/zinc/48/24/84/424482484.db2.gz DSWYGFXRZHCYRO-UHFFFAOYSA-N -1 3 292.383 1.907 10 0 CDAEHM C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000653308503 424550483 /nfs/dbraw/zinc/55/04/83/424550483.db2.gz LZBTVRFRDXRTBA-XJKCOSOUSA-N -1 3 292.379 1.493 10 0 CDAEHM CCC[C@H]1CCCC[C@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000520397367 265794580 /nfs/dbraw/zinc/79/45/80/265794580.db2.gz BPSZEKJOSMMNEG-WDEREUQCSA-N -1 3 281.356 1.013 10 0 CDAEHM CC1(C)COC[C@@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000456512058 276139464 /nfs/dbraw/zinc/13/94/64/276139464.db2.gz HEGVGMBCNMNUFU-NSHDSACASA-N -1 3 260.297 1.113 10 0 CDAEHM COC(=O)CCCCNC(=O)c1cc(C)ccc1[O-] ZINC000049297840 279172111 /nfs/dbraw/zinc/17/21/11/279172111.db2.gz TUYBNOCSLOWAFZ-UHFFFAOYSA-N -1 3 265.309 1.774 10 0 CDAEHM CO[C@@H]1CC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000191794488 279973731 /nfs/dbraw/zinc/97/37/31/279973731.db2.gz NYGSHYYTSFSULA-WDEREUQCSA-N -1 3 282.315 1.898 10 0 CDAEHM Cc1cc(C(=O)N2CCO[C@@]3(CCOC3)C2)ccc1[O-] ZINC000274538316 280332491 /nfs/dbraw/zinc/33/24/91/280332491.db2.gz KIDDFZRLUDLYHA-HNNXBMFYSA-N -1 3 277.320 1.332 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2cccnc2C)o1 ZINC000528531704 281254896 /nfs/dbraw/zinc/25/48/96/281254896.db2.gz LKPHMHMQOARYKZ-UHFFFAOYSA-N -1 3 266.322 1.770 10 0 CDAEHM CC(C)CCC1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000154610645 289212825 /nfs/dbraw/zinc/21/28/25/289212825.db2.gz DLUSFLRVJMNNCG-LBPRGKRZSA-N -1 3 295.383 1.259 10 0 CDAEHM COc1cc(=NC(=O)N2CCC(OC(C)C)CC2)[n-]n1C ZINC000547516369 289783231 /nfs/dbraw/zinc/78/32/31/289783231.db2.gz CXKLMPAPJSBACE-UHFFFAOYSA-N -1 3 296.371 1.272 10 0 CDAEHM COc1cc(=NC(=O)C[C@H](C)c2c(C)n[nH]c2C)[n-]n1C ZINC000547817507 289812436 /nfs/dbraw/zinc/81/24/36/289812436.db2.gz PLFFIRHGDXHBKO-QMMMGPOBSA-N -1 3 291.355 1.323 10 0 CDAEHM COc1cc(=NC(=O)NCC[C@H]2CCO[C@@H](C)C2)[n-]n1C ZINC000548493968 289895161 /nfs/dbraw/zinc/89/51/61/289895161.db2.gz AUVHYEADSRLGMX-QWRGUYRKSA-N -1 3 296.371 1.177 10 0 CDAEHM C[C@@H]1COCC[C@@H]1NC(=O)N=c1cc2ccccn2[n-]1 ZINC000554411711 290157767 /nfs/dbraw/zinc/15/77/67/290157767.db2.gz DAVBBBWMDNBHPZ-PWSUYJOCSA-N -1 3 274.324 1.303 10 0 CDAEHM CCCOc1ccc(CN[C@]2(C(=O)[O-])CCOC2)cc1 ZINC000556322451 290264127 /nfs/dbraw/zinc/26/41/27/290264127.db2.gz YMMYJBHRURHWQT-OAHLLOKOSA-N -1 3 279.336 1.809 10 0 CDAEHM CCc1cc(C[N-]S(=O)(=O)Cc2cc(C)on2)on1 ZINC000556367608 290265767 /nfs/dbraw/zinc/26/57/67/290265767.db2.gz NBAPWWLAPLKCOO-UHFFFAOYSA-N -1 3 285.325 1.153 10 0 CDAEHM C[C@H]1CCN(C(=O)c2cccc([O-])c2)CC[S@@]1=O ZINC000277591185 290567290 /nfs/dbraw/zinc/56/72/90/290567290.db2.gz PDFQEVBFAYCHSO-XTZNXHDOSA-N -1 3 267.350 1.375 10 0 CDAEHM CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)CC1CC1)C(=O)OC ZINC000563058404 293260103 /nfs/dbraw/zinc/26/01/03/293260103.db2.gz MLDDXCLWJXIQFZ-MWLCHTKSSA-N -1 3 277.386 1.294 10 0 CDAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CCCF)cn21 ZINC000564548429 293370149 /nfs/dbraw/zinc/37/01/49/293370149.db2.gz YZZCOMNVKGTWPQ-SECBINFHSA-N -1 3 275.349 1.418 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-]Cc1cc(C)on1 ZINC000568474708 294041092 /nfs/dbraw/zinc/04/10/92/294041092.db2.gz IRUGIFVJPQKDCX-UHFFFAOYSA-N -1 3 297.336 1.255 10 0 CDAEHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C)o2)C12CCC2 ZINC000335625467 294672633 /nfs/dbraw/zinc/67/26/33/294672633.db2.gz XBBSHQMELURHAL-QWRGUYRKSA-N -1 3 285.365 1.824 10 0 CDAEHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cscn1 ZINC000574984782 295084000 /nfs/dbraw/zinc/08/40/00/295084000.db2.gz AGSJGKKIBHJSDB-MRVPVSSYSA-N -1 3 278.399 1.625 10 0 CDAEHM C[C@H](C(=O)N1CCCc2cccc([O-])c21)N1CCOCC1 ZINC000408146166 298045160 /nfs/dbraw/zinc/04/51/60/298045160.db2.gz YATBHPQIISHDNM-GFCCVEGCSA-N -1 3 290.363 1.392 10 0 CDAEHM Cc1cc(C(=O)N2CCSC[C@@H]2C2CCC2)[n-]c(=O)n1 ZINC000333188581 301110990 /nfs/dbraw/zinc/11/09/90/301110990.db2.gz RNDDSKNXNADJJH-GFCCVEGCSA-N -1 3 293.392 1.848 10 0 CDAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc2c(c1)CCCC2 ZINC000295588408 303647813 /nfs/dbraw/zinc/64/78/13/303647813.db2.gz GXICXXUUUDSUHV-LBPRGKRZSA-N -1 3 287.319 1.102 10 0 CDAEHM COc1cc(=NC(=O)N(CC2CC2)CC2CCC2)[n-]n1C ZINC000570074876 316907148 /nfs/dbraw/zinc/90/71/48/316907148.db2.gz WQIALYNUEULLBF-UHFFFAOYSA-N -1 3 292.383 1.895 10 0 CDAEHM CCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@H]1CCOC1 ZINC000576001181 317057027 /nfs/dbraw/zinc/05/70/27/317057027.db2.gz XGCXBDLZSYJOJU-JTQLQIEISA-N -1 3 277.324 1.311 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2C(=O)[C@@H]2C[C@H]2C2CCC2)nc1=N ZINC000576523981 317155750 /nfs/dbraw/zinc/15/57/50/317155750.db2.gz NFCFSQSGFFAKEU-QJPTWQEYSA-N -1 3 289.383 1.327 10 0 CDAEHM O=C([O-])COCCN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000577118107 317269355 /nfs/dbraw/zinc/26/93/55/317269355.db2.gz ONAHADCZQNGNPJ-CQSZACIVSA-N -1 3 281.327 1.934 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2C[C@H](C)n3ccnc32)c1 ZINC000577707069 317384814 /nfs/dbraw/zinc/38/48/14/317384814.db2.gz TUHDNRYOCCTTQF-VHSXEESVSA-N -1 3 295.368 1.084 10 0 CDAEHM O=c1cc(-c2noc(-c3cnn4c3CCCC4)n2)nc[n-]1 ZINC000351373361 323589086 /nfs/dbraw/zinc/58/90/86/323589086.db2.gz QBIPGPSOYDSFIT-UHFFFAOYSA-N -1 3 284.279 1.432 10 0 CDAEHM CCc1nocc1CN1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000578891532 324051766 /nfs/dbraw/zinc/05/17/66/324051766.db2.gz CZKCHAXFWAXMBX-GXSJLCMTSA-N -1 3 252.314 1.780 10 0 CDAEHM O=C([O-])COCCN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000583209186 325129615 /nfs/dbraw/zinc/12/96/15/325129615.db2.gz HHLCRHDTVYSILK-HNNXBMFYSA-N -1 3 293.363 1.769 10 0 CDAEHM CC[C@](C)(C[N-]S(=O)(=O)C[C@H](OC)C1CC1)OC ZINC000583690797 325222231 /nfs/dbraw/zinc/22/22/31/325222231.db2.gz HBYWJKZRLZQFHK-NWDGAFQWSA-N -1 3 279.402 1.146 10 0 CDAEHM CNC(=O)c1nn[n-]c1NC(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000583739023 325230659 /nfs/dbraw/zinc/23/06/59/325230659.db2.gz FCHLPEVMLIYKHL-VIFPVBQESA-N -1 3 293.371 1.709 10 0 CDAEHM CNC(=O)c1[n-]nnc1NC(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000583739023 325230661 /nfs/dbraw/zinc/23/06/61/325230661.db2.gz FCHLPEVMLIYKHL-VIFPVBQESA-N -1 3 293.371 1.709 10 0 CDAEHM CNC(=O)c1n[n-]nc1NC(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000583739023 325230662 /nfs/dbraw/zinc/23/06/62/325230662.db2.gz FCHLPEVMLIYKHL-VIFPVBQESA-N -1 3 293.371 1.709 10 0 CDAEHM O=C([O-])[C@@]12CCO[C@H]1CCN(Cc1ccccc1)C2 ZINC000536956976 330383443 /nfs/dbraw/zinc/38/34/43/330383443.db2.gz BMRGBWQYVDZOHF-DZGCQCFKSA-N -1 3 261.321 1.752 10 0 CDAEHM C[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)CC(=O)N1C ZINC000282100763 482462938 /nfs/dbraw/zinc/46/29/38/482462938.db2.gz DXXXDUSTGSSWQN-NSHDSACASA-N -1 3 298.342 1.848 10 0 CDAEHM Cc1ccc(C(=O)N[C@@H]2CCNC(=O)CC2)c([O-])c1 ZINC000396692437 482488706 /nfs/dbraw/zinc/48/87/06/482488706.db2.gz PTSLQOMRPNVYNT-JTQLQIEISA-N -1 3 262.309 1.099 10 0 CDAEHM Cc1cc(C[C@@H](C)NC(=O)c2ccc([O-])c(F)c2)n[nH]1 ZINC000681056982 482675693 /nfs/dbraw/zinc/67/56/93/482675693.db2.gz FEWICXJTSMEFQE-MRVPVSSYSA-N -1 3 277.299 1.924 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CC[C@@H](C(F)F)C2)n1 ZINC000677735543 482768857 /nfs/dbraw/zinc/76/88/57/482768857.db2.gz SOTAKCHULLSPIA-MRVPVSSYSA-N -1 3 257.284 1.832 10 0 CDAEHM COC(C)(C)CS(=O)(=O)[N-]Cc1cc(C(C)C)no1 ZINC000685497883 483150258 /nfs/dbraw/zinc/15/02/58/483150258.db2.gz RGWFECRYKQOEPU-UHFFFAOYSA-N -1 3 290.385 1.642 10 0 CDAEHM COc1cc(C(=O)N2C[C@@H](O)CC(F)(F)C2)ccc1[O-] ZINC000682588647 483296888 /nfs/dbraw/zinc/29/68/88/483296888.db2.gz KRNMNUBKTNYICS-VIFPVBQESA-N -1 3 287.262 1.243 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2C[C@@H](O)CC(F)(F)C2)c1 ZINC000682587757 483297029 /nfs/dbraw/zinc/29/70/29/483297029.db2.gz QORIBBHLKYLYDV-QMMMGPOBSA-N -1 3 287.262 1.243 10 0 CDAEHM COc1ccc(C(=O)N2C[C@H](O)CC(F)(F)C2)c([O-])c1 ZINC000682590971 483297993 /nfs/dbraw/zinc/29/79/93/483297993.db2.gz XUEWBWLEWAFPPQ-MRVPVSSYSA-N -1 3 287.262 1.243 10 0 CDAEHM O=C([N-]c1cnns1)C(=O)NCc1ccc(Cl)o1 ZINC000683235589 483452844 /nfs/dbraw/zinc/45/28/44/483452844.db2.gz LEBDCUXBMBMGQR-UHFFFAOYSA-N -1 3 286.700 1.039 10 0 CDAEHM CO[C@@H]1CC[C@@H](C(=O)Nc2nnc(-c3ccco3)[n-]2)C1 ZINC000668107635 483566183 /nfs/dbraw/zinc/56/61/83/483566183.db2.gz IHKOCHCDNCDIGT-RKDXNWHRSA-N -1 3 276.296 1.818 10 0 CDAEHM CO[C@@H]1CC[C@@H](C(=O)Nc2nc(-c3ccco3)n[n-]2)C1 ZINC000668107635 483566189 /nfs/dbraw/zinc/56/61/89/483566189.db2.gz IHKOCHCDNCDIGT-RKDXNWHRSA-N -1 3 276.296 1.818 10 0 CDAEHM CO[C@@H]1CC[C@@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000668107635 483566196 /nfs/dbraw/zinc/56/61/96/483566196.db2.gz IHKOCHCDNCDIGT-RKDXNWHRSA-N -1 3 276.296 1.818 10 0 CDAEHM 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CDAEHM CC(C)[C@@H](CN(C)C)NCc1nc(=O)c2sccc2[n-]1 ZINC000049205634 519793808 /nfs/dbraw/zinc/79/38/08/519793808.db2.gz JLVIQCGRJWYYEM-LLVKDONJSA-N -1 3 294.424 1.660 10 0 CDAEHM CCCn1nccc1NC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000340729838 519891091 /nfs/dbraw/zinc/89/10/91/519891091.db2.gz VDEINSLOUSCUAP-UHFFFAOYSA-N -1 3 276.296 1.660 10 0 CDAEHM CCN(C(=O)C[C@H](N)c1ccccc1)[C@@H](C)CC(=O)[O-] ZINC000061212590 519925565 /nfs/dbraw/zinc/92/55/65/519925565.db2.gz DBYACPQHLJVIAL-AAEUAGOBSA-N -1 3 278.352 1.788 10 0 CDAEHM CCN(C(=O)N[C@H]1CCCN(CC)C1)C(C)(C)C(=O)[O-] ZINC000061175580 519987537 /nfs/dbraw/zinc/98/75/37/519987537.db2.gz MVAHHVMATPNUOT-NSHDSACASA-N -1 3 285.388 1.365 10 0 CDAEHM CCN(CC(=O)N1CCC[C@H](C)C1)C[C@@H](C)C(=O)[O-] ZINC000061220824 520312697 /nfs/dbraw/zinc/31/26/97/520312697.db2.gz PPLFGPMNNSIDNK-NWDGAFQWSA-N -1 3 270.373 1.288 10 0 CDAEHM CCN(CC(=O)NC(C)(C)CC)[C@H](C)CC(=O)[O-] ZINC000061182942 520323921 /nfs/dbraw/zinc/32/39/21/520323921.db2.gz GYYABYVWGPRLSM-SNVBAGLBSA-N 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/nfs/dbraw/zinc/65/23/81/679652381.db2.gz CNJGXGYZNMFREB-UHFFFAOYSA-N -1 3 261.329 1.305 10 0 CDAEHM Cn1cnc(/C=C/C(=O)Nc2cccc([O-])c2F)c1 ZINC001623168654 1165751439 /nfs/dbraw/zinc/75/14/39/1165751439.db2.gz QWYMDHWZAXCGLG-AATRIKPKSA-N -1 3 261.256 1.917 10 0 CDAEHM O=C(NCCN1CC=CCC1)c1ccc(F)c([O-])c1 ZINC001626627492 1165949168 /nfs/dbraw/zinc/94/91/68/1165949168.db2.gz IUSYJFHJXSFSQN-UHFFFAOYSA-N -1 3 264.300 1.523 10 0 CDAEHM COc1nccc2cc(NC(=O)c3cc(=O)[n-]cn3)ccc21 ZINC001627999551 1166029920 /nfs/dbraw/zinc/02/99/20/1166029920.db2.gz KQZYRAKZVVVPHF-UHFFFAOYSA-N -1 3 296.286 1.991 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1ccc(F)cc1 ZINC001628255386 1166057911 /nfs/dbraw/zinc/05/79/11/1166057911.db2.gz QXFMOPNKQOTDMH-UHFFFAOYSA-N -1 3 279.296 1.540 10 0 CDAEHM Cc1coc(C(=O)NCCc2c(C)[n-][nH]c2=O)c1C ZINC001628274353 1166059401 /nfs/dbraw/zinc/05/94/01/1166059401.db2.gz HZNHWKICOKNWTI-SNVBAGLBSA-N -1 3 263.297 1.138 10 0 CDAEHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)C(F)F ZINC001629585683 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COc1cccc([O-])c1C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000690771188 897931413 /nfs/dbraw/zinc/93/14/13/897931413.db2.gz MDBDUZYQWSVHDC-GHMZBOCLSA-N -1 3 277.320 1.509 10 0 CDAEHM CC(C)(CO)CCC[N-]S(=O)(=O)c1cccnc1F ZINC000401860919 901902993 /nfs/dbraw/zinc/90/29/93/901902993.db2.gz CYRPVLVGGPEZEX-UHFFFAOYSA-N -1 3 290.360 1.298 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)CO)c1 ZINC001123769398 914633714 /nfs/dbraw/zinc/63/37/14/914633714.db2.gz KINYGMSKBQUXFZ-UHFFFAOYSA-N -1 3 292.335 1.265 10 0 CDAEHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc(O)c(C)c1 ZINC001137676679 936385809 /nfs/dbraw/zinc/38/58/09/936385809.db2.gz HOZIMEXEOMUNOZ-UHFFFAOYSA-N -1 3 291.263 1.163 10 0 CDAEHM [O-]c1ccccc1-c1nnc(CSc2nc[nH]n2)o1 ZINC001188309739 920960960 /nfs/dbraw/zinc/96/09/60/920960960.db2.gz NXPBTGKMFOXEAS-UHFFFAOYSA-N -1 3 275.293 1.853 10 0 CDAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CC[C@@H]1C1CC1 ZINC000838559540 936881639 /nfs/dbraw/zinc/88/16/39/936881639.db2.gz LWDLJOWODKRGLW-SSDOTTSWSA-N -1 3 289.261 1.517 10 0 CDAEHM C[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cccnc1F ZINC000401787132 936913971 /nfs/dbraw/zinc/91/39/71/936913971.db2.gz LLAJKCQCTQBSHB-SECBINFHSA-N -1 3 284.312 1.723 10 0 CDAEHM COC1(C[N-]S(=O)(=O)c2cccnc2F)CCCC1 ZINC000401808146 936916238 /nfs/dbraw/zinc/91/62/38/936916238.db2.gz BJZRNUGTQOSFEN-UHFFFAOYSA-N -1 3 288.344 1.458 10 0 CDAEHM O=C([N-]c1nnc2nc[nH]n12)c1ocnc1-c1ccccc1 ZINC001141672591 936920628 /nfs/dbraw/zinc/92/06/28/936920628.db2.gz MIIMJTYQZQUBLI-UHFFFAOYSA-N -1 3 295.262 1.360 10 0 CDAEHM CC(C)OCC(C)(C)[N-]S(=O)(=O)c1cccnc1F ZINC000401815897 925674602 /nfs/dbraw/zinc/67/46/02/925674602.db2.gz ICXRLLIDOWMOOY-UHFFFAOYSA-N -1 3 290.360 1.703 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=C1CCCCC1 ZINC001144227276 931709587 /nfs/dbraw/zinc/70/95/87/931709587.db2.gz SMVIRJLJRSGNJI-LBPRGKRZSA-N -1 3 263.341 1.505 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1cccs1 ZINC001144232688 931713699 /nfs/dbraw/zinc/71/36/99/931713699.db2.gz GJLKGUGBEWYYRJ-WYGGZMRJSA-N -1 3 277.349 1.390 10 0 CDAEHM CSc1cccc(C(=O)NCCc2c(C)[n-][nH]c2=O)n1 ZINC001412526625 932466761 /nfs/dbraw/zinc/46/67/61/932466761.db2.gz LXJCDSVIGSXWOK-SECBINFHSA-N -1 3 292.364 1.045 10 0 CDAEHM C[C@H](CCNC(=O)Cc1ccc([O-])c(F)c1)[S@](C)=O ZINC001412638453 932583628 /nfs/dbraw/zinc/58/36/28/932583628.db2.gz ALKFJCUCDGPPGR-HOGDKLEQSA-N -1 3 287.356 1.347 10 0 CDAEHM C[C@H](NC(=O)[C@H]1CCCO1)c1nc(C(F)(F)F)n[n-]1 ZINC001412705162 932651540 /nfs/dbraw/zinc/65/15/40/932651540.db2.gz MEZWWVZSEBFLLC-NTSWFWBYSA-N -1 3 278.234 1.180 10 0 CDAEHM O=C(N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1ccccc1[O-] ZINC001119047046 937690956 /nfs/dbraw/zinc/69/09/56/937690956.db2.gz YGDDUQOLJUQJMN-RZFPVDMASA-N -1 3 259.305 1.545 10 0 CDAEHM CCOC(=O)C[C@@H]1CCCN1Cc1nc(C)cc(=O)[n-]1 ZINC001412966498 935121384 /nfs/dbraw/zinc/12/13/84/935121384.db2.gz GAUQVFYSMMWFOC-NSHDSACASA-N -1 3 279.340 1.408 10 0 CDAEHM O=S(=O)([N-][C@@H](CO)C1CCCC1)c1cccnc1F ZINC000401847837 940882984 /nfs/dbraw/zinc/88/29/84/940882984.db2.gz 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COc1cccc(C(=O)NC[C@H]2CCCC[C@H]2O)c1[O-] ZINC000085976327 179207750 /nfs/dbraw/zinc/20/77/50/179207750.db2.gz UHKSZXNLLOHQRW-ZYHUDNBSSA-N -1 3 279.336 1.682 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(C)nc2C(C)C)[n-]1 ZINC000450548496 362833561 /nfs/dbraw/zinc/83/35/61/362833561.db2.gz SDMWSERVJUZSHT-UHFFFAOYSA-N -1 3 275.312 1.892 10 0 CDAEHM COc1nc(NC(=O)c2ccc(C)nc2C(C)C)n[n-]1 ZINC000450548496 362833566 /nfs/dbraw/zinc/83/35/66/362833566.db2.gz SDMWSERVJUZSHT-UHFFFAOYSA-N -1 3 275.312 1.892 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(C)nc2C(C)C)n1 ZINC000450548496 362833569 /nfs/dbraw/zinc/83/35/69/362833569.db2.gz SDMWSERVJUZSHT-UHFFFAOYSA-N -1 3 275.312 1.892 10 0 CDAEHM COc1ccc(Br)c(C(=O)[N-]C#N)c1 ZINC000086085196 179228921 /nfs/dbraw/zinc/22/89/21/179228921.db2.gz JGRMSMUVZZBBCM-UHFFFAOYSA-N -1 3 255.071 1.669 10 0 CDAEHM CC1(C)CC[C@H]1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000613428089 347724448 /nfs/dbraw/zinc/72/44/48/347724448.db2.gz AIYRBAXKXMLYJE-JTQLQIEISA-N -1 3 261.325 1.503 10 0 CDAEHM 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ZINC000565396969 370437268 /nfs/dbraw/zinc/43/72/68/370437268.db2.gz FHOMKMBWVRMERG-GFCCVEGCSA-N -1 3 287.323 1.442 10 0 CDAEHM CCc1cc(C(=O)NCC2(C)OCCCO2)ccc1[O-] ZINC000293065021 370504182 /nfs/dbraw/zinc/50/41/82/370504182.db2.gz XMJAGDSVNVFQIC-UHFFFAOYSA-N -1 3 279.336 1.838 10 0 CDAEHM Cc1c(C(=O)Nc2nc(C)ccc2[O-])nnn1C(C)C ZINC000294312771 371045136 /nfs/dbraw/zinc/04/51/36/371045136.db2.gz QQGSHVRWKQVXMG-UHFFFAOYSA-N -1 3 275.312 1.829 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-][C@H](C)C1CC1 ZINC000295676044 371401452 /nfs/dbraw/zinc/40/14/52/371401452.db2.gz HMVDYAHOOIYFIQ-SECBINFHSA-N -1 3 270.354 1.557 10 0 CDAEHM CC1(C)OCC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000296175782 371411275 /nfs/dbraw/zinc/41/12/75/371411275.db2.gz LQQPWHRXODVAIF-LLVKDONJSA-N -1 3 251.282 1.395 10 0 CDAEHM CN(C(=O)c1cc2c(cc1[O-])CCCC2)C(C)(C)C(N)=O ZINC000296178721 371644398 /nfs/dbraw/zinc/64/43/98/371644398.db2.gz SDLCQYXKRBADBN-UHFFFAOYSA-N -1 3 290.363 1.607 10 0 CDAEHM CON1CCC(CC(=O)Nc2ccccc2[O-])CC1 ZINC000666921382 482989163 /nfs/dbraw/zinc/98/91/63/482989163.db2.gz TXHGCYZNEKRULJ-UHFFFAOYSA-N -1 3 264.325 1.994 10 0 CDAEHM COCC1([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)CC1 ZINC000575107673 371742523 /nfs/dbraw/zinc/74/25/23/371742523.db2.gz JXLVYOVWKXPDIV-JTQLQIEISA-N -1 3 299.396 1.238 10 0 CDAEHM COc1cc([N-]C(=O)c2nc([C@@H]3C[C@@H]3C)no2)nn1C ZINC000631404762 376208968 /nfs/dbraw/zinc/20/89/68/376208968.db2.gz AZDNOKFSRFKKCQ-NKWVEPMBSA-N -1 3 277.284 1.187 10 0 CDAEHM COC(=O)c1cc([O-])c(I)cc1N ZINC000575639445 372292972 /nfs/dbraw/zinc/29/29/72/372292972.db2.gz BOJDWOFGPLEVOT-UHFFFAOYSA-N -1 3 293.060 1.366 10 0 CDAEHM O=c1cc(-c2noc([C@H]3C[C@@H]3C(F)F)n2)nc[n-]1 ZINC000351364194 372399572 /nfs/dbraw/zinc/39/95/72/372399572.db2.gz DGEMFXUNLKAXKT-WHFBIAKZSA-N -1 3 254.196 1.601 10 0 CDAEHM C[C@H](c1ccnn1C)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351362092 372399881 /nfs/dbraw/zinc/39/98/81/372399881.db2.gz ABONSMSUNPLICG-SSDOTTSWSA-N -1 3 272.268 1.118 10 0 CDAEHM O=c1cc(-c2noc([C@@H]3CCCOCC3)n2)nc[n-]1 ZINC000351378587 372403933 /nfs/dbraw/zinc/40/39/33/372403933.db2.gz VTURWNGLZJIJJQ-MRVPVSSYSA-N -1 3 262.269 1.516 10 0 CDAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CC23CC3)cc1 ZINC000578436357 372461851 /nfs/dbraw/zinc/46/18/51/372461851.db2.gz NRSIRGFKETWKQH-LLVKDONJSA-N -1 3 280.349 1.340 10 0 CDAEHM COC(=O)c1coc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000578506349 372485755 /nfs/dbraw/zinc/48/57/55/372485755.db2.gz DPDZSQDLLDWCLG-SKDRFNHKSA-N -1 3 281.308 1.609 10 0 CDAEHM CC(=O)NCCCNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000299257735 372503388 /nfs/dbraw/zinc/50/33/88/372503388.db2.gz IWFDNPGJNWPLSA-UHFFFAOYSA-N -1 3 290.363 1.527 10 0 CDAEHM O=C(NCC[C@H]1CCOC1)c1c[n-]nc1-c1ccccn1 ZINC000580805695 372695624 /nfs/dbraw/zinc/69/56/24/372695624.db2.gz BUSYISXACZVLSV-NSHDSACASA-N -1 3 286.335 1.628 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)CCCSC ZINC000581258664 372904828 /nfs/dbraw/zinc/90/48/28/372904828.db2.gz GYYKMYRCYPLLFR-UHFFFAOYSA-N -1 3 257.315 1.278 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)CCCSC ZINC000581258664 372904835 /nfs/dbraw/zinc/90/48/35/372904835.db2.gz GYYKMYRCYPLLFR-UHFFFAOYSA-N -1 3 257.315 1.278 10 0 CDAEHM CCc1cccc(C(=O)N2CCC[C@@H](O)[C@H]2C)c1[O-] ZINC000581352119 372968007 /nfs/dbraw/zinc/96/80/07/372968007.db2.gz NIGUTZZZZUUBCM-ZWNOBZJWSA-N -1 3 263.337 1.940 10 0 CDAEHM CO[C@@H]1CCN(Cc2ccc(C)nc2C)[C@H](C(=O)[O-])C1 ZINC000581737668 373231214 /nfs/dbraw/zinc/23/12/14/373231214.db2.gz NRDDZXAQHOKWEJ-KGLIPLIRSA-N -1 3 278.352 1.762 10 0 CDAEHM CO[C@@H](C)c1nc(=NCCN2CC=CCC2)s[n-]1 ZINC000392831972 373303463 /nfs/dbraw/zinc/30/34/63/373303463.db2.gz FYRLXOJJQKJMDP-JTQLQIEISA-N -1 3 268.386 1.341 10 0 CDAEHM CN1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC000631783627 373324734 /nfs/dbraw/zinc/32/47/34/373324734.db2.gz APNWJNHAWJPZRS-QMMMGPOBSA-N -1 3 294.323 1.590 10 0 CDAEHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631794682 373486410 /nfs/dbraw/zinc/48/64/10/373486410.db2.gz SZPXZURGEZHDQU-RQJHMYQMSA-N -1 3 264.372 1.562 10 0 CDAEHM O=C(COc1ccc(O)cc1)Nc1ncccc1[O-] ZINC000341898056 373966444 /nfs/dbraw/zinc/96/64/44/373966444.db2.gz FAOSLTYOUBQNRC-UHFFFAOYSA-N -1 3 260.249 1.510 10 0 CDAEHM Cc1cc(C(=O)N2CCSC[C@H]2CCO)ccc1[O-] ZINC000334335632 374938019 /nfs/dbraw/zinc/93/80/19/374938019.db2.gz FPGUUYWCIZZSCU-GFCCVEGCSA-N -1 3 281.377 1.641 10 0 CDAEHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CCc3cnn(C)c3C2)c1C ZINC000334467770 375450276 /nfs/dbraw/zinc/45/02/76/375450276.db2.gz FHNRCSMJMFERGY-SNVBAGLBSA-N -1 3 287.367 1.180 10 0 CDAEHM O=C(COCC1CC1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000135549062 375714041 /nfs/dbraw/zinc/71/40/41/375714041.db2.gz HNRIOSZSWSSUOP-UHFFFAOYSA-N -1 3 287.323 1.156 10 0 CDAEHM O=C(COCC1CC1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000135549062 375714047 /nfs/dbraw/zinc/71/40/47/375714047.db2.gz HNRIOSZSWSSUOP-UHFFFAOYSA-N -1 3 287.323 1.156 10 0 CDAEHM CCc1ccc(S(=O)(=O)[N-][C@@H](CO)CC(F)F)s1 ZINC000428377749 247289870 /nfs/dbraw/zinc/28/98/70/247289870.db2.gz HJKQXYVVIYSGRP-SSDOTTSWSA-N -1 3 299.364 1.605 10 0 CDAEHM COc1cc([C@@H](N)C(=O)[O-])ccc1Br ZINC000218028525 375779369 /nfs/dbraw/zinc/77/93/69/375779369.db2.gz XDUPYLDRNZGLOM-MRVPVSSYSA-N -1 3 260.087 1.542 10 0 CDAEHM c1nc2nc(=N[C@@H]3CCOC3)cc(-c3ccccc3)n2[n-]1 ZINC000631179914 375992131 /nfs/dbraw/zinc/99/21/31/375992131.db2.gz YSTSLPNYFFDRNF-GFCCVEGCSA-N -1 3 281.319 1.414 10 0 CDAEHM CC[C@H]1C[C@H](C(=O)NCc2ncccc2[O-])CCO1 ZINC000331011939 376451972 /nfs/dbraw/zinc/45/19/72/376451972.db2.gz JMHGHSKXKHBIHL-MNOVXSKESA-N -1 3 264.325 1.609 10 0 CDAEHM CSc1c(C(=O)N=c2[n-]occ2C)cnn1C ZINC000331064076 376506352 /nfs/dbraw/zinc/50/63/52/376506352.db2.gz DUOCSCWVPJOEEW-UHFFFAOYSA-N -1 3 252.299 1.113 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CC[C@H](C)[C@@H](F)C2)n1 ZINC000679223144 483071879 /nfs/dbraw/zinc/07/18/79/483071879.db2.gz KPYDOIJUSCYRFP-ONGXEEELSA-N -1 3 253.321 1.925 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@H](CCO)CSC)sc1C ZINC000434095515 248076706 /nfs/dbraw/zinc/07/67/06/248076706.db2.gz JDCPBXBPDSSFRS-MRVPVSSYSA-N -1 3 290.410 1.186 10 0 CDAEHM C/C=C/C[C@@H]([N-]S(=O)(=O)CCCCC)C(=O)OCC ZINC000433877061 248061690 /nfs/dbraw/zinc/06/16/90/248061690.db2.gz AAGFTDBEZUJXMH-FZKGZDJFSA-N -1 3 291.413 1.994 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)c1ccncc1 ZINC000632024476 376922289 /nfs/dbraw/zinc/92/22/89/376922289.db2.gz NEBKYFPAEAGULK-VIFPVBQESA-N -1 3 299.377 1.673 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000272775963 296253564 /nfs/dbraw/zinc/25/35/64/296253564.db2.gz UAHDZTSDJGVIIR-QWRGUYRKSA-N -1 3 289.253 1.920 10 0 CDAEHM O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(O)cc1[O-] ZINC000247293358 377086231 /nfs/dbraw/zinc/08/62/31/377086231.db2.gz HNFTWSIIHDBRPT-ZKYQVNSYSA-N -1 3 277.320 1.785 10 0 CDAEHM CCc1ccc(F)cc1C(=O)Nc1nnc(OC)[n-]1 ZINC000632257968 377199511 /nfs/dbraw/zinc/19/95/11/377199511.db2.gz RRDLUCAVKURVPN-UHFFFAOYSA-N -1 3 264.260 1.767 10 0 CDAEHM CCc1ccc(F)cc1C(=O)Nc1n[n-]c(OC)n1 ZINC000632257968 377199515 /nfs/dbraw/zinc/19/95/15/377199515.db2.gz RRDLUCAVKURVPN-UHFFFAOYSA-N -1 3 264.260 1.767 10 0 CDAEHM CCc1ccc(F)cc1C(=O)Nc1nc(OC)n[n-]1 ZINC000632257968 377199520 /nfs/dbraw/zinc/19/95/20/377199520.db2.gz RRDLUCAVKURVPN-UHFFFAOYSA-N -1 3 264.260 1.767 10 0 CDAEHM CO[C@](C)(C[N-]S(=O)(=O)C[C@H]1CCC1(F)F)C1CC1 ZINC000632351958 377326667 /nfs/dbraw/zinc/32/66/67/377326667.db2.gz UKPMRPCIBIWSGW-GHMZBOCLSA-N -1 3 297.367 1.766 10 0 CDAEHM CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)C1CCC(C)CC1 ZINC000632425000 377433525 /nfs/dbraw/zinc/43/35/25/377433525.db2.gz DQCLKJWCFHMDDT-FIYWTHMPSA-N -1 3 291.413 1.288 10 0 CDAEHM O=S(=O)([N-][C@@H]1C[C@H]1C1CCC1)c1cscn1 ZINC000632493543 377529111 /nfs/dbraw/zinc/52/91/11/377529111.db2.gz WTMLIOYVXLZVAR-DTWKUNHWSA-N -1 3 258.368 1.610 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)c1cscn1 ZINC000632550705 377592265 /nfs/dbraw/zinc/59/22/65/377592265.db2.gz GLJOQWMTTHRXCZ-RXMQYKEDSA-N -1 3 291.379 1.345 10 0 CDAEHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1conc1C ZINC000632545551 377587060 /nfs/dbraw/zinc/58/70/60/377587060.db2.gz FAFHWBQSRWPMGN-NSHDSACASA-N -1 3 288.369 1.467 10 0 CDAEHM C[C@H](CC(N)=O)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436591374 249432021 /nfs/dbraw/zinc/43/20/21/249432021.db2.gz WGVMHEAEGFHBSE-SECBINFHSA-N -1 3 276.336 1.265 10 0 CDAEHM CCC(C)(C)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000632641860 377700085 /nfs/dbraw/zinc/70/00/85/377700085.db2.gz ABPVENMPCZWXJO-UHFFFAOYSA-N -1 3 273.402 1.833 10 0 CDAEHM O=C(NCc1ncccc1[O-])N[C@H]1CCCC12CC2 ZINC000633399664 378402975 /nfs/dbraw/zinc/40/29/75/378402975.db2.gz AVLLAPFMPQWXER-LBPRGKRZSA-N -1 3 261.325 1.919 10 0 CDAEHM CCC(CC)[C@H](C)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633520688 378510020 /nfs/dbraw/zinc/51/00/20/378510020.db2.gz JRZGMANSABPSTK-QMMMGPOBSA-N -1 3 267.329 1.576 10 0 CDAEHM CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633520506 378510441 /nfs/dbraw/zinc/51/04/41/378510441.db2.gz HHGYCEUILZHPLB-RNCFNFMXSA-N -1 3 265.313 1.186 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(=O)[nH]1)[C@H]1C[C@@H]1c1ccccc1 ZINC000633522322 378515149 /nfs/dbraw/zinc/51/51/49/378515149.db2.gz ZUUOZQWCWZYHAE-NEPJUHHUSA-N -1 3 285.303 1.308 10 0 CDAEHM O=C([N-]c1nn2cnnc2s1)c1cnc(C2CC2)nc1 ZINC000633910443 378864267 /nfs/dbraw/zinc/86/42/67/378864267.db2.gz WHKZDMZGZSVJDA-UHFFFAOYSA-N -1 3 287.308 1.106 10 0 CDAEHM CO[C@@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)[C@@](C)(CO)C1 ZINC000634068242 379013799 /nfs/dbraw/zinc/01/37/99/379013799.db2.gz KCYSHKFKXBKLTQ-XHDPSFHLSA-N -1 3 297.326 1.072 10 0 CDAEHM O=C(c1cccc2[n-]nnc21)N1CCO[C@H](C(F)F)CC1 ZINC000634162226 379105836 /nfs/dbraw/zinc/10/58/36/379105836.db2.gz RIAIOYMFGOGPGQ-JTQLQIEISA-N -1 3 296.277 1.454 10 0 CDAEHM O=C(c1cccc2nn[n-]c21)N1CCO[C@H](C(F)F)CC1 ZINC000634162226 379105846 /nfs/dbraw/zinc/10/58/46/379105846.db2.gz RIAIOYMFGOGPGQ-JTQLQIEISA-N -1 3 296.277 1.454 10 0 CDAEHM O=C(c1cccc2n[n-]nc21)N1CCO[C@H](C(F)F)CC1 ZINC000634162226 379105857 /nfs/dbraw/zinc/10/58/57/379105857.db2.gz 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/nfs/dbraw/zinc/00/23/14/195002314.db2.gz WDGUIIRBZAVXFR-AAEUAGOBSA-N -1 3 290.363 1.516 10 0 CDAEHM O=C(N=c1cc(C(F)(F)F)[n-][nH]1)[C@H]1CC[C@@H](C2CC2)N1 ZINC000653346603 412995771 /nfs/dbraw/zinc/99/57/71/412995771.db2.gz AFONDNQNNDZCPB-JGVFFNPUSA-N -1 3 288.273 1.320 10 0 CDAEHM C[C@@H]1C[C@@H](NC(=O)c2cc3c(cc2[O-])CCCC3)C(=O)O1 ZINC000288708318 197149697 /nfs/dbraw/zinc/14/96/97/197149697.db2.gz VDVHCTWSDBQCEC-NOZJJQNGSA-N -1 3 289.331 1.705 10 0 CDAEHM O=c1nc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)[nH][n-]1 ZINC000288568106 285226590 /nfs/dbraw/zinc/22/65/90/285226590.db2.gz ANKXMPZEMCWHRA-LLVKDONJSA-N -1 3 276.315 1.617 10 0 CDAEHM CN1C[C@H]2CCN(C(=O)c3cc(Cl)ccc3[O-])[C@@H]2C1 ZINC000646911842 390294604 /nfs/dbraw/zinc/29/46/04/390294604.db2.gz HWROTYPEHXOGOA-BXKDBHETSA-N -1 3 280.755 1.822 10 0 CDAEHM CC[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000647368882 390950705 /nfs/dbraw/zinc/95/07/05/390950705.db2.gz QRIJUGDWXDOLDB-MGPQQGTHSA-N -1 3 296.411 1.820 10 0 CDAEHM 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ZINC000335965091 151154147 /nfs/dbraw/zinc/15/41/47/151154147.db2.gz KGAKKISAUSZTTP-CABZTGNLSA-N -1 3 284.381 1.349 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC(F)C1 ZINC000336157600 151320342 /nfs/dbraw/zinc/32/03/42/151320342.db2.gz NWJUNDMTYHPVHB-LBPRGKRZSA-N -1 3 292.310 1.177 10 0 CDAEHM COC(=O)c1cc(C(=O)NCc2ccc([O-])c(F)c2)c[nH]1 ZINC000343140871 152048115 /nfs/dbraw/zinc/04/81/15/152048115.db2.gz CUQLFUKRFDFLKD-UHFFFAOYSA-N -1 3 292.266 1.576 10 0 CDAEHM COC(=O)c1cc(C(=O)NCc2ccc([O-])c(F)c2)no1 ZINC000343808157 152310154 /nfs/dbraw/zinc/31/01/54/152310154.db2.gz MMKUBOSZIGTFOJ-UHFFFAOYSA-N -1 3 294.238 1.236 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CCOC2)c(F)c1 ZINC000344008115 152386477 /nfs/dbraw/zinc/38/64/77/152386477.db2.gz ITLFEWJDULBMRP-NSHDSACASA-N -1 3 287.356 1.839 10 0 CDAEHM CN(C)c1nc(-c2nc(Cc3ccncc3)no2)cc(=O)[n-]1 ZINC000345829561 152968496 /nfs/dbraw/zinc/96/84/96/152968496.db2.gz CUEXVUVAFPNFKD-UHFFFAOYSA-N -1 3 298.306 1.284 10 0 CDAEHM CC1(C)C[C@@H](NC(=O)NCc2ncccc2[O-])CCO1 ZINC000349793881 154219229 /nfs/dbraw/zinc/21/92/29/154219229.db2.gz XYBKBYCZOPMZLK-JTQLQIEISA-N -1 3 279.340 1.544 10 0 CDAEHM CSC1(CNC(=O)NCc2ncccc2[O-])CC1 ZINC000350061082 154317535 /nfs/dbraw/zinc/31/75/35/154317535.db2.gz WYCYENUSVMPPRD-UHFFFAOYSA-N -1 3 267.354 1.482 10 0 CDAEHM CCC[C@]1([N-]S(=O)(=O)c2ccccn2)CCOC1 ZINC000352337987 155103517 /nfs/dbraw/zinc/10/35/17/155103517.db2.gz NDOHKSRWMGQBKI-LBPRGKRZSA-N -1 3 270.354 1.319 10 0 CDAEHM Cc1noc([N-]C(=O)[C@@H](C)OC[C@@H]2CCCO2)c1C ZINC000359374635 158227821 /nfs/dbraw/zinc/22/78/21/158227821.db2.gz CFEBSIBBUMBLMI-MNOVXSKESA-N -1 3 268.313 1.814 10 0 CDAEHM Cn1cc(C[C@H]2CCC[C@H]2N=c2ncnc3[nH][n-]cc2-3)cn1 ZINC000664443048 413387262 /nfs/dbraw/zinc/38/72/62/413387262.db2.gz APMSOTPHVXWVFT-DGCLKSJQSA-N -1 3 297.366 1.283 10 0 CDAEHM Oc1[n-]c(N2CCC(c3ccon3)CC2)nc2nncc1-2 ZINC000664564943 413494308 /nfs/dbraw/zinc/49/43/08/413494308.db2.gz MBMGXYLAEWVAMZ-UHFFFAOYSA-N -1 3 286.295 1.431 10 0 CDAEHM COC(=O)[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1)C(C)C ZINC000035151739 172015224 /nfs/dbraw/zinc/01/52/24/172015224.db2.gz LPZBVUKPRWZPAG-WTNCMQEWSA-N -1 3 297.376 1.774 10 0 CDAEHM CCCCN(CCCC)C(=O)CNCCC(=O)[O-] ZINC000035385984 172168120 /nfs/dbraw/zinc/16/81/20/172168120.db2.gz XNSJNSCKEIPFNI-UHFFFAOYSA-N -1 3 258.362 1.480 10 0 CDAEHM COc1ccc(Cl)cc1NC(=O)CN[C@@H](C)C(=O)[O-] ZINC000035387649 172169961 /nfs/dbraw/zinc/16/99/61/172169961.db2.gz ZBCCVTCDGQGQRC-ZETCQYMHSA-N -1 3 286.715 1.350 10 0 CDAEHM O=S(=O)([N-][C@@H](CO)C1CCC1)c1ccc(F)c(F)c1 ZINC000657058747 413885116 /nfs/dbraw/zinc/88/51/16/413885116.db2.gz XCBKZAUHHAYKMZ-LBPRGKRZSA-N -1 3 291.319 1.404 10 0 CDAEHM Cc1cccc(S(=O)(=O)[N-][C@H](CO)C2CCC2)c1F ZINC000657056590 413880919 /nfs/dbraw/zinc/88/09/19/413880919.db2.gz NNIYTPSPIUTKIQ-LLVKDONJSA-N -1 3 287.356 1.573 10 0 CDAEHM CO[C@@H](C[N-]S(=O)(=O)c1cccs1)[C@@H]1CCOC1 ZINC000657047345 413885963 /nfs/dbraw/zinc/88/59/63/413885963.db2.gz PVTJCUGGBSYVLA-ZJUUUORDSA-N -1 3 291.394 1.078 10 0 CDAEHM CN(C(=O)[C@@H](C(=O)[O-])C1CCCC1)[C@H]1CCN(C2CC2)C1 ZINC000663118107 413957430 /nfs/dbraw/zinc/95/74/30/413957430.db2.gz WPZWDRAELAIWPP-KBPBESRZSA-N -1 3 294.395 1.573 10 0 CDAEHM CN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)[C@@H]1CCN(C2CC2)C1 ZINC000663118122 413959842 /nfs/dbraw/zinc/95/98/42/413959842.db2.gz WTZSKVTUOPUXFN-VXGBXAGGSA-N -1 3 282.384 1.428 10 0 CDAEHM CCc1cccc(C(=O)NCc2cccc(CO)n2)c1[O-] ZINC000655057894 413983275 /nfs/dbraw/zinc/98/32/75/413983275.db2.gz KUIJDMBBVBYCAS-UHFFFAOYSA-N -1 3 286.331 1.772 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](C)O1 ZINC000657157476 413983908 /nfs/dbraw/zinc/98/39/08/413983908.db2.gz UFBIWVZWKVLVKJ-LDYMZIIASA-N -1 3 288.369 1.527 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-]CCc2cncc(C)n2)s1 ZINC000657194503 414029916 /nfs/dbraw/zinc/02/99/16/414029916.db2.gz FXEKCAGVOOECJP-UHFFFAOYSA-N -1 3 298.393 1.071 10 0 CDAEHM CCCc1nsc(NCc2nc(CN)cc(=O)[n-]2)n1 ZINC000663277680 414112124 /nfs/dbraw/zinc/11/21/24/414112124.db2.gz 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176039642 /nfs/dbraw/zinc/03/96/42/176039642.db2.gz VSUBOWMJBBPCQB-NSHDSACASA-N -1 3 286.335 1.834 10 0 CDAEHM CCN1CCC[C@H]1CNc1cnc(C(=O)[O-])cn1 ZINC000071181497 176057430 /nfs/dbraw/zinc/05/74/30/176057430.db2.gz WEADBHBUIDFEIC-VIFPVBQESA-N -1 3 250.302 1.071 10 0 CDAEHM Cc1ccnn1C[C@@](NC1CC1)(C(=O)[O-])c1ccccc1 ZINC000080005110 177593860 /nfs/dbraw/zinc/59/38/60/177593860.db2.gz MLZGCTTYTGTIBY-INIZCTEOSA-N -1 3 285.347 1.924 10 0 CDAEHM COc1cc(=NC(=O)[C@@H](C)c2ccsc2)[n-]n1C ZINC000548145182 289850199 /nfs/dbraw/zinc/85/01/99/289850199.db2.gz NXCDGPMQINFADO-QMMMGPOBSA-N -1 3 265.338 1.654 10 0 CDAEHM CO[C@](C)(CO)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000655214851 423849159 /nfs/dbraw/zinc/84/91/59/423849159.db2.gz HEHMZAVJTBUGMQ-INIZCTEOSA-N -1 3 293.363 1.398 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1cscn1)[C@H]1CCCOC1 ZINC000518970857 265261476 /nfs/dbraw/zinc/26/14/76/265261476.db2.gz QCNAYUTZJOPPKL-BDAKNGLRSA-N -1 3 276.383 1.237 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H](O)C(F)(F)C2)n1 ZINC000661407564 424326450 /nfs/dbraw/zinc/32/64/50/424326450.db2.gz NDHFAJBSFAICGV-BDAKNGLRSA-N -1 3 273.283 1.254 10 0 CDAEHM CCN1CCC[C@@H]1CNC(=O)c1c([O-])cc(F)cc1F ZINC000049447013 424403434 /nfs/dbraw/zinc/40/34/34/424403434.db2.gz LYKZTRLFZZDBBF-SNVBAGLBSA-N -1 3 284.306 1.885 10 0 CDAEHM CCc1cc(=NC(=O)N2CC[C@@H](CO)[C@@H]2CC)[n-]o1 ZINC000652573542 424543131 /nfs/dbraw/zinc/54/31/31/424543131.db2.gz MRYKXITXGGKVIE-ONGXEEELSA-N -1 3 267.329 1.284 10 0 CDAEHM CC(=O)NC1CN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000191505145 270291020 /nfs/dbraw/zinc/29/10/20/270291020.db2.gz NWIAZQJSWCYWIK-UHFFFAOYSA-N -1 3 288.347 1.232 10 0 CDAEHM CO[C@H]1CC[C@@H](NC(=O)CCc2c(C)nc(C)[n-]c2=O)C1 ZINC000191760319 270293866 /nfs/dbraw/zinc/29/38/66/270293866.db2.gz HOFZREURFIMKTQ-NEPJUHHUSA-N -1 3 293.367 1.003 10 0 CDAEHM CO[C@H]1CC[C@H](NC(=O)CCc2c(C)nc(C)[n-]c2=O)C1 ZINC000191760335 270294250 /nfs/dbraw/zinc/29/42/50/270294250.db2.gz HOFZREURFIMKTQ-RYUDHWBXSA-N -1 3 293.367 1.003 10 0 CDAEHM CC1(C)Cc2ccc(C(=O)NCC3COC3)c([O-])c2O1 ZINC000530117133 271110391 /nfs/dbraw/zinc/11/03/91/271110391.db2.gz ULPUTDYOEBNTDF-UHFFFAOYSA-N -1 3 277.320 1.482 10 0 CDAEHM C[C@H](C1CC1)N(Cc1cnc(C(=O)[O-])cn1)C1CC1 ZINC000530162664 271119149 /nfs/dbraw/zinc/11/91/49/271119149.db2.gz QKPWFZDEVHPSPC-SECBINFHSA-N -1 3 261.325 1.938 10 0 CDAEHM CCC[C@@H](O)CN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530166452 271122518 /nfs/dbraw/zinc/12/25/18/271122518.db2.gz NCZGCMRDTVJRBV-BXKDBHETSA-N -1 3 253.298 1.424 10 0 CDAEHM CC(C)(C)OC(=O)[C@@H](c1ccco1)[C@@H](N)CC(=O)[O-] ZINC000021302498 278445669 /nfs/dbraw/zinc/44/56/69/278445669.db2.gz GTWHFSVDHUHUEW-GZMMTYOYSA-N -1 3 269.297 1.507 10 0 CDAEHM CCO[N-]C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000173023317 279886877 /nfs/dbraw/zinc/88/68/77/279886877.db2.gz WJUUDDMHIPNBEN-WDEREUQCSA-N -1 3 263.293 1.629 10 0 CDAEHM C[C@@H]1CCN[C@H](C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC000228161878 280108339 /nfs/dbraw/zinc/10/83/39/280108339.db2.gz 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CCn1cc(CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)nn1 ZINC001636187312 1166661079 /nfs/dbraw/zinc/66/10/79/1166661079.db2.gz QCZHPHHUXBVWSX-UHFFFAOYSA-N -1 3 286.295 1.061 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1onc2ccccc21 ZINC001412530778 1166735329 /nfs/dbraw/zinc/73/53/29/1166735329.db2.gz VOJYOWLBZHKEPN-SECBINFHSA-N -1 3 286.291 1.070 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)[C@H]1CC1(F)F ZINC001637976705 1166808541 /nfs/dbraw/zinc/80/85/41/1166808541.db2.gz SFTWSDRQNVJQDG-MRVPVSSYSA-N -1 3 269.251 1.331 10 0 CDAEHM COc1ccc2c(c1)C(=O)N(Cc1nc(C)cc(=O)[n-]1)C2=O ZINC001641262889 1167091536 /nfs/dbraw/zinc/09/15/36/1167091536.db2.gz XBBRYZKJJQZGGQ-UHFFFAOYSA-N -1 3 299.286 1.295 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)C=Cc2ccsc2)n1 ZINC001644282422 1167304565 /nfs/dbraw/zinc/30/45/65/1167304565.db2.gz AVRZPCDNDXTKBS-IHWYPQMZSA-N -1 3 275.333 1.882 10 0 CDAEHM CC(C)c1ncc(CNC(=O)c2ncccc2[O-])[nH]1 ZINC001645476458 1167406028 /nfs/dbraw/zinc/40/60/28/1167406028.db2.gz NKFZCSFOVGILOU-UHFFFAOYSA-N -1 3 260.297 1.564 10 0 CDAEHM Cn1ccnc1SCc1nc2c(c(=O)[n-]1)COCC2 ZINC001646057035 1167626707 /nfs/dbraw/zinc/62/67/07/1167626707.db2.gz FEZKAWXSMVJVGL-UHFFFAOYSA-N -1 3 278.337 1.281 10 0 CDAEHM CCO/C=C\C(=O)Nc1cc(C(=O)OC)cc(OC)c1[O-] ZINC001646270562 1167737391 /nfs/dbraw/zinc/73/73/91/1167737391.db2.gz OITNVFHIOJQLHS-WAYWQWQTSA-N -1 3 295.291 1.676 10 0 CDAEHM CCOc1cccc(CN[C@H](C(=O)[O-])[C@H]2CCCO2)n1 ZINC001649933079 1169512147 /nfs/dbraw/zinc/51/21/47/1169512147.db2.gz VRQZKIRSFSQPDK-YPMHNXCESA-N -1 3 280.324 1.202 10 0 CDAEHM C[C@@]1(C(=O)[O-])C[C@@H](NCc2nc3ccccc3o2)CCO1 ZINC001650016509 1169613283 /nfs/dbraw/zinc/61/32/83/1169613283.db2.gz KCJUDOVQCBFPKJ-BONVTDFDSA-N -1 3 290.319 1.940 10 0 CDAEHM C[C@@H]1CC[C@H](C(=O)NCCNC(=O)c2ccccc2[O-])C1 ZINC001574891891 1171040137 /nfs/dbraw/zinc/04/01/37/1171040137.db2.gz VUFYSDBULKLJEL-NEPJUHHUSA-N -1 3 290.363 1.674 10 0 CDAEHM O=c1[nH]cc(CN=c2ncnc3[nH][n-]cc2-3)c2ccccc12 ZINC001651430557 1171323793 /nfs/dbraw/zinc/32/37/93/1171323793.db2.gz XPEABTFBKDFUGR-UHFFFAOYSA-N -1 3 292.302 1.592 10 0 CDAEHM CCOc1nnc(NC(=O)c2cc(F)cc(F)c2N)[n-]1 ZINC001587743984 1172997517 /nfs/dbraw/zinc/99/75/17/1172997517.db2.gz IUTFYAMQWCTEFJ-UHFFFAOYSA-N -1 3 283.238 1.316 10 0 CDAEHM CCOc1nc(NC(=O)c2cc(F)cc(F)c2N)n[n-]1 ZINC001587743984 1172997519 /nfs/dbraw/zinc/99/75/19/1172997519.db2.gz IUTFYAMQWCTEFJ-UHFFFAOYSA-N -1 3 283.238 1.316 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2cc(F)cc(F)c2N)n1 ZINC001587743984 1172997521 /nfs/dbraw/zinc/99/75/21/1172997521.db2.gz IUTFYAMQWCTEFJ-UHFFFAOYSA-N -1 3 283.238 1.316 10 0 CDAEHM C[C@@H]([N-]C(=O)C(F)F)[C@@H](C)NCC(F)(F)C(F)F ZINC001674618217 1173968764 /nfs/dbraw/zinc/96/87/64/1173968764.db2.gz JBCXMOKVNUSIMF-RFZPGFLSSA-N -1 3 280.212 1.635 10 0 CDAEHM CCOc1nnc(NC(=O)COc2cccc(CC)c2)[n-]1 ZINC000228791084 1178117180 /nfs/dbraw/zinc/11/71/80/1178117180.db2.gz GBLQHHMPEANUQR-UHFFFAOYSA-N -1 3 290.323 1.783 10 0 CDAEHM CCOc1nc(NC(=O)COc2cccc(CC)c2)n[n-]1 ZINC000228791084 1178117188 /nfs/dbraw/zinc/11/71/88/1178117188.db2.gz GBLQHHMPEANUQR-UHFFFAOYSA-N -1 3 290.323 1.783 10 0 CDAEHM CCOc1n[n-]c(NC(=O)COc2cccc(CC)c2)n1 ZINC000228791084 1178117190 /nfs/dbraw/zinc/11/71/90/1178117190.db2.gz GBLQHHMPEANUQR-UHFFFAOYSA-N -1 3 290.323 1.783 10 0 CDAEHM COC(CNC(=O)c1cc([O-])ccc1Cl)OC ZINC000234592421 1178221870 /nfs/dbraw/zinc/22/18/70/1178221870.db2.gz VICQTAGVMNUPRR-UHFFFAOYSA-N -1 3 259.689 1.394 10 0 CDAEHM CC[C@H](F)CN(C)CCCNC(=O)c1[nH]nc(C)c1[O-] ZINC001712941354 1178252896 /nfs/dbraw/zinc/25/28/96/1178252896.db2.gz CIUGKBGQYKMBJS-JTQLQIEISA-N -1 3 286.351 1.224 10 0 CDAEHM Cc1noc([C@H]([N-]S(=O)(=O)CCCF)C(C)C)n1 ZINC000175570758 1181423100 /nfs/dbraw/zinc/42/31/00/1181423100.db2.gz QIERWTXELKUSMR-SECBINFHSA-N -1 3 279.337 1.354 10 0 CDAEHM Cc1n[nH]c(C(=O)NCCN(C)CC2=CCCCC2)c1[O-] ZINC001567277296 1168653995 /nfs/dbraw/zinc/65/39/95/1168653995.db2.gz VNCRHFIPMVRQBD-UHFFFAOYSA-N -1 3 292.383 1.586 10 0 CDAEHM CCOCCCN(Cc1cc[nH]n1)C[C@H](C)C(=O)[O-] ZINC001346255494 894736484 /nfs/dbraw/zinc/73/64/84/894736484.db2.gz CSKDKCFGXWBXFZ-NSHDSACASA-N -1 3 269.345 1.359 10 0 CDAEHM C[C@H](CCNC(=O)/C=C\C(C)(C)C)NCc1n[nH]c(=O)[n-]1 ZINC001267122046 896853932 /nfs/dbraw/zinc/85/39/32/896853932.db2.gz GJDFFLDMPMSFTG-ONRRBMGISA-N -1 3 295.387 1.097 10 0 CDAEHM CCCC1(C(=O)N[C@H](C)CCNCc2n[nH]c(=O)[n-]2)CC1 ZINC001268399295 901995738 /nfs/dbraw/zinc/99/57/38/901995738.db2.gz VFMWWZWHLATILP-SNVBAGLBSA-N -1 3 295.387 1.075 10 0 CDAEHM Cc1nc(C)c(CC(=O)N2CC(OCC(C)C)C2)c(=O)[n-]1 ZINC001362301278 903447423 /nfs/dbraw/zinc/44/74/23/903447423.db2.gz MTJSNNKAPOUTIV-UHFFFAOYSA-N -1 3 293.367 1.225 10 0 CDAEHM O=C(Cn1ccc(C(F)F)n1)Nc1ncccc1[O-] ZINC001138165928 936484299 /nfs/dbraw/zinc/48/42/99/936484299.db2.gz XGMLAMKCLPZKHQ-UHFFFAOYSA-N -1 3 268.223 1.560 10 0 CDAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2F)[C@H](C)O1 ZINC000401775103 936909052 /nfs/dbraw/zinc/90/90/52/936909052.db2.gz CLHFJAZABBOBIC-VGMNWLOBSA-N -1 3 274.317 1.065 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)c1cccnc1F)C1CC1 ZINC000401839734 937148330 /nfs/dbraw/zinc/14/83/30/937148330.db2.gz QLLWRLRYNXOOJR-SECBINFHSA-N -1 3 258.318 1.688 10 0 CDAEHM COc1ccccc1C(F)(F)C(=O)[N-][C@]1(C)CCOC1=O ZINC000854530133 928226218 /nfs/dbraw/zinc/22/62/18/928226218.db2.gz ORTKKEFUROTXEL-CYBMUJFWSA-N -1 3 299.273 1.609 10 0 CDAEHM C=C/C(C)=C/CC(=O)NCC[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001274763614 931570907 /nfs/dbraw/zinc/57/09/07/931570907.db2.gz OOLDANMFEGIQPF-UAWPZABVSA-N -1 3 293.371 1.017 10 0 CDAEHM COc1ccccc1[C@@H](O)C(=O)Nc1n[n-]c(SC)n1 ZINC001411714948 931975546 /nfs/dbraw/zinc/97/55/46/931975546.db2.gz GSFYIOFYLSDTKE-SECBINFHSA-N -1 3 294.336 1.207 10 0 CDAEHM O=C([O-])CC1(CNCc2cc3n(n2)CCCC3)CC1 ZINC001118303030 937614206 /nfs/dbraw/zinc/61/42/06/937614206.db2.gz NJJBBVPXDNWEGR-UHFFFAOYSA-N -1 3 263.341 1.564 10 0 CDAEHM O=C(N[C@@H]1COC2(CCC2)C1)c1c([O-])cccc1O ZINC000688342694 934589901 /nfs/dbraw/zinc/58/99/01/934589901.db2.gz QFIAFKFQEFDZFP-VIFPVBQESA-N -1 3 263.293 1.539 10 0 CDAEHM O=C(N[C@]12C[C@H]1COC2)c1cc([O-])cc(Br)c1 ZINC000718089928 934764094 /nfs/dbraw/zinc/76/40/94/934764094.db2.gz ZXWKXBXZURBSTK-UFBFGSQYSA-N -1 3 298.136 1.673 10 0 CDAEHM Cc1ccc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)nc1C ZINC001164349050 939461147 /nfs/dbraw/zinc/46/11/47/939461147.db2.gz WWFBMCUCTHARAZ-UHFFFAOYSA-N -1 3 290.348 1.413 10 0 CDAEHM CC[C@H](C)C[C@H](N)C(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000400760620 940855249 /nfs/dbraw/zinc/85/52/49/940855249.db2.gz IBCAGJQZJPXWAH-USZNOCQGSA-N -1 3 270.373 1.462 10 0 CDAEHM C[C@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1cccnc1F ZINC000401844328 940882863 /nfs/dbraw/zinc/88/28/63/940882863.db2.gz ACPCKUFPTRDVSZ-LDYMZIIASA-N -1 3 274.317 1.067 10 0 CDAEHM COc1cccc([O-])c1C(=O)N[C@@H]1CCCOC1 ZINC000405292336 940978815 /nfs/dbraw/zinc/97/88/15/940978815.db2.gz LBSGUVJWSJEZEV-SECBINFHSA-N -1 3 251.282 1.310 10 0 CDAEHM CC(C)n1nccc1CN1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721177410 942072802 /nfs/dbraw/zinc/07/28/02/942072802.db2.gz SNFKUJOSBJHAFG-XQQFMLRXSA-N -1 3 263.341 1.617 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001362121037 970913944 /nfs/dbraw/zinc/91/39/44/970913944.db2.gz CVOWXYQNSPWWBC-UWVGGRQHSA-N -1 3 287.310 1.440 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)C=Cc1scnc1C ZINC001525803381 970989220 /nfs/dbraw/zinc/98/92/20/970989220.db2.gz VVSVAQJUMZHVHI-ARJAWSKDSA-N -1 3 292.320 1.613 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)C=Cc1scnc1C ZINC001525803381 970989226 /nfs/dbraw/zinc/98/92/26/970989226.db2.gz VVSVAQJUMZHVHI-ARJAWSKDSA-N -1 3 292.320 1.613 10 0 CDAEHM O=C(NC[C@@H]1CCc2ccccc2C1)c1cnncc1[O-] ZINC001362257355 971083359 /nfs/dbraw/zinc/08/33/59/971083359.db2.gz WTIXDBBBZPHFKC-LLVKDONJSA-N -1 3 283.331 1.717 10 0 CDAEHM CCc1[nH]cnc1C(=O)[N-]N1Cc2ccccc2C1=O ZINC001362343790 971174124 /nfs/dbraw/zinc/17/41/24/971174124.db2.gz UXXVNUVIZJBBNO-UHFFFAOYSA-N -1 3 270.292 1.273 10 0 CDAEHM Cc1ccsc1CN[C@@H](C(=O)[O-])[C@@H]1CCCO1 ZINC001261845834 946298907 /nfs/dbraw/zinc/29/89/07/946298907.db2.gz QGKXRFRUCFZCIH-GXSJLCMTSA-N -1 3 255.339 1.778 10 0 CDAEHM COC(=O)c1ccsc1[N-]C(=O)c1coc(OC)n1 ZINC001362782970 971616233 /nfs/dbraw/zinc/61/62/33/971616233.db2.gz BYNDHGUVYRKVBK-UHFFFAOYSA-N -1 3 282.277 1.784 10 0 CDAEHM Cc1ncc(CN(C)CCNC(=O)c2ccccc2[O-])o1 ZINC001480843583 971907650 /nfs/dbraw/zinc/90/76/50/971907650.db2.gz CLHAFYXNZSYTIO-UHFFFAOYSA-N -1 3 289.335 1.550 10 0 CDAEHM Cc1conc1C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001363705611 953677136 /nfs/dbraw/zinc/67/71/36/953677136.db2.gz DYDOLHIFKLQQLA-UHFFFAOYSA-N -1 3 278.268 1.524 10 0 CDAEHM Cc1conc1C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001363705611 953677145 /nfs/dbraw/zinc/67/71/45/953677145.db2.gz DYDOLHIFKLQQLA-UHFFFAOYSA-N -1 3 278.268 1.524 10 0 CDAEHM CSc1ccc([O-])c(C(=O)N[C@@H](CO)c2ncc[nH]2)c1 ZINC001363716294 953690706 /nfs/dbraw/zinc/69/07/06/953690706.db2.gz UTLXTZBATZMBJW-JTQLQIEISA-N -1 3 293.348 1.301 10 0 CDAEHM CCCCC[C@H](NCc1cc2n(n1)CCC2)C(=O)[O-] ZINC001334017190 954077795 /nfs/dbraw/zinc/07/77/95/954077795.db2.gz SIRKJHJJAMFTHK-ZDUSSCGKSA-N -1 3 265.357 1.952 10 0 CDAEHM Cc1ccc(/C=C\C(=O)[N-]O[C@@H]2CCCCO2)cn1 ZINC001292297478 954138823 /nfs/dbraw/zinc/13/88/23/954138823.db2.gz GUYILJSYVMFLAL-WBTMPAOCSA-N -1 3 262.309 1.978 10 0 CDAEHM CC[C@@H]1C[C@H]1C(=O)NCCCNC(=O)c1ccccc1[O-] ZINC001293155905 954321590 /nfs/dbraw/zinc/32/15/90/954321590.db2.gz PROLVGHCOMKQLG-DGCLKSJQSA-N -1 3 290.363 1.674 10 0 CDAEHM CN1C(=O)CS/C1=C\C(=O)Nc1cccc([O-])c1F ZINC001295128544 954615169 /nfs/dbraw/zinc/61/51/69/954615169.db2.gz XPDYMEGKBWXKOS-WZUFQYTHSA-N -1 3 282.296 1.516 10 0 CDAEHM FC(F)(F)c1cncc(CN2CC[C@H](c3nnn[n-]3)C2)c1 ZINC001364479890 954663739 /nfs/dbraw/zinc/66/37/39/954663739.db2.gz PKLGAHSUKJWLSV-VIFPVBQESA-N -1 3 298.272 1.603 10 0 CDAEHM FC(F)(F)c1cncc(CN2CC[C@H](c3nn[n-]n3)C2)c1 ZINC001364479890 954663744 /nfs/dbraw/zinc/66/37/44/954663744.db2.gz PKLGAHSUKJWLSV-VIFPVBQESA-N -1 3 298.272 1.603 10 0 CDAEHM O=C(CCn1cnnn1)Nc1ccc(Cl)cc1[O-] ZINC001295971411 954777285 /nfs/dbraw/zinc/77/72/85/954777285.db2.gz CTZKIUGGVPWXBH-UHFFFAOYSA-N -1 3 267.676 1.061 10 0 CDAEHM Cc1n[nH]nc1C(=O)Nc1c([O-])cccc1Cl ZINC001298549744 955204407 /nfs/dbraw/zinc/20/44/07/955204407.db2.gz BUXHCXMWFAAFDX-UHFFFAOYSA-N -1 3 252.661 1.724 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCC[C@@]2(CO)c2ccccc2)n1 ZINC001365340832 955922650 /nfs/dbraw/zinc/92/26/50/955922650.db2.gz HNAOZRGGTWMFDX-QGZVFWFLSA-N -1 3 299.374 1.974 10 0 CDAEHM O=C([O-])[C@H](NCc1ccccc1F)[C@@H]1CCCO1 ZINC001329685815 956063139 /nfs/dbraw/zinc/06/31/39/956063139.db2.gz KQVSDYAUSWMKLJ-NWDGAFQWSA-N -1 3 253.273 1.548 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCN[C@@H](c2ccccc2)C1 ZINC001363454390 972179395 /nfs/dbraw/zinc/17/93/95/972179395.db2.gz MDFSHGBISWXWPX-OAHLLOKOSA-N -1 3 298.342 1.885 10 0 CDAEHM O=C([O-])[C@@H](Cc1cncs1)NCc1cccnc1Cl ZINC001330686479 956563505 /nfs/dbraw/zinc/56/35/05/956563505.db2.gz CJWVRYAQCZOGOP-SNVBAGLBSA-N -1 3 297.767 1.977 10 0 CDAEHM COCCC(=O)N[C@H](C)[C@H](C)NC(=O)c1ccccc1[O-] ZINC001423842235 957002280 /nfs/dbraw/zinc/00/22/80/957002280.db2.gz LWDZPTJYLJCBRC-MNOVXSKESA-N -1 3 294.351 1.052 10 0 CDAEHM C[C@@H](NC(=O)CC1CC1)[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001426389873 957927866 /nfs/dbraw/zinc/92/78/66/957927866.db2.gz WNNJSEGQPVIDLO-GHMZBOCLSA-N -1 3 290.363 1.815 10 0 CDAEHM COC[C@H](COC(=O)c1cc2occc2[n-]1)OC ZINC001333229782 958172198 /nfs/dbraw/zinc/17/21/98/958172198.db2.gz XVMGMHYAJVTOHG-MRVPVSSYSA-N -1 3 253.254 1.579 10 0 CDAEHM COCc1ccc(CNC2CC(CC(=O)[O-])C2)o1 ZINC001334073067 958812703 /nfs/dbraw/zinc/81/27/03/958812703.db2.gz UWYOHUHCMNKZQW-UHFFFAOYSA-N -1 3 253.298 1.769 10 0 CDAEHM CC[C@@H](CNC(=O)c1ccccc1[O-])NC(=O)[C@@H]1C[C@H]1C ZINC001432612585 960124974 /nfs/dbraw/zinc/12/49/74/960124974.db2.gz OFJBLIVGEDOQIJ-NTZNESFSSA-N -1 3 290.363 1.673 10 0 CDAEHM C[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1nn(C)cc1[O-] ZINC001434408391 961321910 /nfs/dbraw/zinc/32/19/10/961321910.db2.gz WSWVPCGNDMVGCD-OUAUKWLOSA-N -1 3 280.372 1.176 10 0 CDAEHM CC[C@@H](NC(=O)c1cnncc1[O-])c1ccccn1 ZINC001557094363 965145682 /nfs/dbraw/zinc/14/56/82/965145682.db2.gz QAXCPQOLWSEICY-SNVBAGLBSA-N -1 3 258.281 1.458 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](CC)[C@@H](C)O)c1 ZINC001347663501 965647362 /nfs/dbraw/zinc/64/73/62/965647362.db2.gz XPRIDZVBVBTLMJ-BXKDBHETSA-N -1 3 292.335 1.406 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1nccc2cccnc21 ZINC001445281561 966144281 /nfs/dbraw/zinc/14/42/81/966144281.db2.gz BMYURUQIRFUYQU-UHFFFAOYSA-N -1 3 297.274 1.392 10 0 CDAEHM COc1cc(=O)[nH]cc1C(=O)[N-]OCc1ccc(F)cc1 ZINC001447554539 966815624 /nfs/dbraw/zinc/81/56/24/966815624.db2.gz GGCRSZYRDZEGBZ-UHFFFAOYSA-N -1 3 292.266 1.797 10 0 CDAEHM O=C(Nc1ccn2ccnc2c1)c1cnncc1[O-] ZINC001448968202 967316679 /nfs/dbraw/zinc/31/66/79/967316679.db2.gz WMHNNGRVIMEXFJ-UHFFFAOYSA-N -1 3 255.237 1.082 10 0 CDAEHM Cc1nnc(N[C@H](C)c2nc(C(F)(F)F)n[n-]2)nc1C ZINC001458639952 969326563 /nfs/dbraw/zinc/32/65/63/969326563.db2.gz OFIRSOFDOJJSTG-ZCFIWIBFSA-N -1 3 287.249 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CC[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@H](C)N1 ZINC000620906773 350375970 /nfs/dbraw/zinc/37/59/70/350375970.db2.gz QRKOPTHYDCOILD-NWDGAFQWSA-N -1 3 299.374 1.741 10 0 CDAEHM CCc1cc(C(=O)Nc2nn(C)cc2C)ccc1[O-] ZINC000620926430 350381754 /nfs/dbraw/zinc/38/17/54/350381754.db2.gz XPERLQGZZXYJHO-UHFFFAOYSA-N -1 3 259.309 1.671 10 0 CDAEHM Cc1cc(CN2CCC(c3n[nH]c(=O)[n-]3)CC2)ccn1 ZINC000621289201 350526240 /nfs/dbraw/zinc/52/62/40/350526240.db2.gz YYNHQDJNFWLEEF-UHFFFAOYSA-N -1 3 273.340 1.593 10 0 CDAEHM C[C@H](CC(N)=O)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621880819 350829920 /nfs/dbraw/zinc/82/99/20/350829920.db2.gz UGWZJOVENOCVRK-ZCFIWIBFSA-N -1 3 290.241 1.405 10 0 CDAEHM Cc1ccnc([C@@H](C)[N-]S(=O)(=O)c2cscn2)n1 ZINC000622042033 350948274 /nfs/dbraw/zinc/94/82/74/350948274.db2.gz PPMPFVWWJJRFNK-MRVPVSSYSA-N -1 3 284.366 1.281 10 0 CDAEHM C[C@@H]1C[C@H](N=c2cc(-c3ccccc3)n3[n-]cnc3n2)CO1 ZINC000631327006 363136545 /nfs/dbraw/zinc/13/65/45/363136545.db2.gz FREADCHOZSZHCG-YPMHNXCESA-N -1 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367677598 /nfs/dbraw/zinc/67/75/98/367677598.db2.gz SECZYABYTNPCHW-SECBINFHSA-N -1 3 289.353 1.454 10 0 CDAEHM Cc1cc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc(C)c1Cl ZINC000282095609 367723175 /nfs/dbraw/zinc/72/31/75/367723175.db2.gz CCBUAXHIJBYTSF-VIFPVBQESA-N -1 3 295.726 1.493 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]c2c[nH]c(=O)cc2C)o1 ZINC000358524678 367748030 /nfs/dbraw/zinc/74/80/30/367748030.db2.gz HXBLXOLDBZMQCG-UHFFFAOYSA-N -1 3 268.294 1.798 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000528550665 367892565 /nfs/dbraw/zinc/89/25/65/367892565.db2.gz SSIRXCWLMXEBFG-WYOJIJJFSA-N -1 3 275.395 1.838 10 0 CDAEHM CC[C@@H](C(=O)NC1(c2nnn[n-]2)CCCC1)N(CC)CC ZINC000359786857 367977756 /nfs/dbraw/zinc/97/77/56/367977756.db2.gz CFJAZDWQMQRCGJ-NSHDSACASA-N -1 3 294.403 1.206 10 0 CDAEHM CC[C@@H](C(=O)NC1(c2nn[n-]n2)CCCC1)N(CC)CC ZINC000359786857 367977762 /nfs/dbraw/zinc/97/77/62/367977762.db2.gz CFJAZDWQMQRCGJ-NSHDSACASA-N -1 3 294.403 1.206 10 0 CDAEHM 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3 295.383 1.259 10 0 CDAEHM Cc1ccc(NC(=O)CCc2nnn[n-]2)c(CN(C)C)c1 ZINC000631296866 376077346 /nfs/dbraw/zinc/07/73/46/376077346.db2.gz QEXACZHFWWSOBZ-UHFFFAOYSA-N -1 3 288.355 1.141 10 0 CDAEHM Cc1ccc(NC(=O)CCc2nn[n-]n2)c(CN(C)C)c1 ZINC000631296866 376077351 /nfs/dbraw/zinc/07/73/51/376077351.db2.gz QEXACZHFWWSOBZ-UHFFFAOYSA-N -1 3 288.355 1.141 10 0 CDAEHM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631646390 376442737 /nfs/dbraw/zinc/44/27/37/376442737.db2.gz IIBMWECVRGRBEL-JGVFFNPUSA-N -1 3 276.383 1.706 10 0 CDAEHM Cc1ccc(C(=O)N(C)C[C@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000331224197 376670228 /nfs/dbraw/zinc/67/02/28/376670228.db2.gz AYCHGYNTYVPJIJ-LLVKDONJSA-N -1 3 297.376 1.207 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(NC(C)=O)c(F)c2)[n-]1 ZINC000434373482 248099812 /nfs/dbraw/zinc/09/98/12/248099812.db2.gz ZXHQDGWNTKMNPB-UHFFFAOYSA-N -1 3 293.258 1.163 10 0 CDAEHM COc1nc(NC(=O)c2ccc(NC(C)=O)c(F)c2)n[n-]1 ZINC000434373482 248099814 /nfs/dbraw/zinc/09/98/14/248099814.db2.gz 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/nfs/dbraw/zinc/15/79/47/377157947.db2.gz DJXCOQUHFAAJHA-UHFFFAOYSA-N -1 3 298.412 1.620 10 0 CDAEHM CCc1ncc(C[N-]S(=O)(=O)C[C@H]2CCC2(F)F)o1 ZINC000632419204 377423222 /nfs/dbraw/zinc/42/32/22/377423222.db2.gz ZKZBASSUCKEHFK-MRVPVSSYSA-N -1 3 294.323 1.702 10 0 CDAEHM O=S(=O)([N-][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cscn1 ZINC000571915672 377602437 /nfs/dbraw/zinc/60/24/37/377602437.db2.gz JMNHMQKGEIJZAP-BBBLOLIVSA-N -1 3 288.394 1.379 10 0 CDAEHM OCc1nc(-c2ncccc2Br)n[n-]1 ZINC000133397280 377921280 /nfs/dbraw/zinc/92/12/80/377921280.db2.gz OMQRHWPTPYVIQZ-UHFFFAOYSA-N -1 3 255.075 1.122 10 0 CDAEHM CCc1ccc(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)c([O-])c1 ZINC000191731121 378131173 /nfs/dbraw/zinc/13/11/73/378131173.db2.gz FFHMHCYUTBOYEH-NEPJUHHUSA-N -1 3 290.363 1.729 10 0 CDAEHM C[C@@H](C(=O)NCc1cc(=O)[n-]c(=O)[nH]1)C(C)(C)C ZINC000633520595 378510235 /nfs/dbraw/zinc/51/02/35/378510235.db2.gz AVLCWQOAAKSUCV-ZETCQYMHSA-N -1 3 253.302 1.186 10 0 CDAEHM CC1(C(=O)NCc2cc(=O)[n-]c(=O)[nH]2)CCCCCC1 ZINC000633521085 378511392 /nfs/dbraw/zinc/51/13/92/378511392.db2.gz NEANJUAWNGWYEI-UHFFFAOYSA-N -1 3 279.340 1.865 10 0 CDAEHM CC[C@@H]1CCCC[C@@H]1C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633521572 378512904 /nfs/dbraw/zinc/51/29/04/378512904.db2.gz SFVFSXWNZSGMBV-KOLCDFICSA-N -1 3 279.340 1.720 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(=O)[nH]1)C1CC2(C1)CCCCC2 ZINC000633522302 378514312 /nfs/dbraw/zinc/51/43/12/378514312.db2.gz ZMDMNLQIUWCERM-UHFFFAOYSA-N -1 3 291.351 1.865 10 0 CDAEHM O=C(CC1CSC1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000633601408 378579394 /nfs/dbraw/zinc/57/93/94/378579394.db2.gz FTGKCIAYXAFQGX-JTQLQIEISA-N -1 3 267.354 1.375 10 0 CDAEHM Cc1scc(CNC(=O)c2cc(=O)[n-]cn2)c1C ZINC000633974024 378910203 /nfs/dbraw/zinc/91/02/03/378910203.db2.gz MYIMSSVUWPGDTP-UHFFFAOYSA-N -1 3 263.322 1.791 10 0 CDAEHM CCc1cccc(C(=O)N2C[C@@H](OC)C[C@]2(C)CO)c1[O-] ZINC000634074419 379023087 /nfs/dbraw/zinc/02/30/87/379023087.db2.gz ZBRHWGPQPLURJY-BLLLJJGKSA-N -1 3 293.363 1.567 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CCO[C@H](C(F)F)CC1 ZINC000634165419 379111026 /nfs/dbraw/zinc/11/10/26/379111026.db2.gz WPNRXZYFQQZPLR-NSHDSACASA-N -1 3 286.278 1.212 10 0 CDAEHM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1ccccc1F ZINC000660093229 412916182 /nfs/dbraw/zinc/91/61/82/412916182.db2.gz DGPVGZFMXYQKHY-JTQLQIEISA-N -1 3 287.356 1.919 10 0 CDAEHM O=C([N-]C[C@H](O)C(F)(F)F)C(F)(F)c1ccccc1 ZINC000267102587 190303755 /nfs/dbraw/zinc/30/37/55/190303755.db2.gz LGDLKJIJTBJFJX-QMMMGPOBSA-N -1 3 283.196 1.818 10 0 CDAEHM CC(C)[C@H]1CCCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662206678 412934315 /nfs/dbraw/zinc/93/43/15/412934315.db2.gz RYOXZMSDLRJNCD-VXGBXAGGSA-N -1 3 268.357 1.182 10 0 CDAEHM CCOC(=O)c1csc(=NCC2(CO)CCC2)[n-]1 ZINC000450433952 251282481 /nfs/dbraw/zinc/28/24/81/251282481.db2.gz CBOOQNVIOMOBPZ-UHFFFAOYSA-N -1 3 270.354 1.316 10 0 CDAEHM O=c1nc(C2CCN(Cc3cccc(Cl)n3)CC2)[nH][n-]1 ZINC000281057260 195086492 /nfs/dbraw/zinc/08/64/92/195086492.db2.gz RLSDYIPDUQXOPX-UHFFFAOYSA-N -1 3 293.758 1.526 10 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CDAEHM CCC(CC)CC(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000411104272 391384822 /nfs/dbraw/zinc/38/48/22/391384822.db2.gz LDZFWGMAMAWGDX-UHFFFAOYSA-N -1 3 279.344 1.462 10 0 CDAEHM CCC(CC)CC(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000411104272 391384826 /nfs/dbraw/zinc/38/48/26/391384826.db2.gz LDZFWGMAMAWGDX-UHFFFAOYSA-N -1 3 279.344 1.462 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2C[C@@H](O)CC[C@@H]2C)n1 ZINC000421007013 391794406 /nfs/dbraw/zinc/79/44/06/391794406.db2.gz HJOMDPCZJVUXGF-ONGXEEELSA-N -1 3 251.330 1.090 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCN(CC2(F)CC2)CC1 ZINC000525977680 392017447 /nfs/dbraw/zinc/01/74/47/392017447.db2.gz SPYUGPWYDISGRW-UHFFFAOYSA-N -1 3 278.327 1.652 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)C2CCCCC2)nc1=N ZINC000549727342 391958404 /nfs/dbraw/zinc/95/84/04/391958404.db2.gz BQMKPEAPJMRPIR-NSHDSACASA-N -1 3 277.372 1.471 10 0 CDAEHM COC(=O)c1cc(-c2nc(Cc3noc(C)n3)no2)c[n-]1 ZINC000430887946 392085520 /nfs/dbraw/zinc/08/55/20/392085520.db2.gz HCPWHTNRYXXWBB-UHFFFAOYSA-N -1 3 289.251 1.134 10 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1.344 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(F)c(F)c2)n1 ZINC000126833775 392594618 /nfs/dbraw/zinc/59/46/18/392594618.db2.gz ZVUGYESBRONWDC-UHFFFAOYSA-N -1 3 254.196 1.344 10 0 CDAEHM CCCC[C@](C)(CO)NC(=O)c1ccc(O)cc1[O-] ZINC000649036937 392663160 /nfs/dbraw/zinc/66/31/60/392663160.db2.gz SOEVNZNKDPDEEH-CQSZACIVSA-N -1 3 267.325 1.769 10 0 CDAEHM O=C(CCCc1ccc([O-])c(F)c1)NC1COCCOC1 ZINC000646801765 392782593 /nfs/dbraw/zinc/78/25/93/392782593.db2.gz KWPYQNXMVNXTHN-UHFFFAOYSA-N -1 3 297.326 1.386 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N2CN(C)C(=O)[C@@H]2C)c1 ZINC000649159426 392886613 /nfs/dbraw/zinc/88/66/13/392886613.db2.gz NTVWIRJMTOCWGH-VIFPVBQESA-N -1 3 262.309 1.215 10 0 CDAEHM C[C@@H](C(=O)N1CCC(C)CC1)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000521042913 392924602 /nfs/dbraw/zinc/92/46/02/392924602.db2.gz XPSUNIKOFSDDJK-MELADBBJSA-N -1 3 296.411 1.676 10 0 CDAEHM CO[C@H]1C[C@@H](NC(=O)NCc2ncccc2[O-])C12CCC2 ZINC000459246221 393038493 /nfs/dbraw/zinc/03/84/93/393038493.db2.gz ICNZNBMRKDVHJH-OLZOCXBDSA-N -1 3 291.351 1.544 10 0 CDAEHM CC(C)[C@@](C)(O)C[N-]S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000451238661 393170180 /nfs/dbraw/zinc/17/01/80/393170180.db2.gz ZBFYBCLCVDAZPN-MNOVXSKESA-N -1 3 299.383 1.748 10 0 CDAEHM COCc1nn(C)cc1C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649229288 393120618 /nfs/dbraw/zinc/12/06/18/393120618.db2.gz VNYWNTLBVHVDPS-UHFFFAOYSA-N -1 3 291.355 1.396 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1cnc(C2CC2)nc1 ZINC000451345385 393230542 /nfs/dbraw/zinc/23/05/42/393230542.db2.gz SCUUKQIBBHNCAE-UHFFFAOYSA-N -1 3 270.292 1.385 10 0 CDAEHM CO[C@H](C)c1nc(=N[C@H]2CN(C3CC3)C[C@@H]2C)s[n-]1 ZINC000548872064 393392723 /nfs/dbraw/zinc/39/27/23/393392723.db2.gz VPLZFKVYLPXKPS-NGZCFLSTSA-N -1 3 282.413 1.562 10 0 CDAEHM CO[C@H](C)c1nsc(=N[C@H]2CN(C3CC3)C[C@@H]2C)[n-]1 ZINC000548872064 393392726 /nfs/dbraw/zinc/39/27/26/393392726.db2.gz VPLZFKVYLPXKPS-NGZCFLSTSA-N -1 3 282.413 1.562 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CC2)o1 ZINC000452042638 393433011 /nfs/dbraw/zinc/43/30/11/393433011.db2.gz CSPYRSUBZWQAIA-QWRGUYRKSA-N -1 3 255.339 1.912 10 0 CDAEHM C[C@H]1CCc2ccccc2N1C(=O)[C@H](N)CCC(=O)[O-] ZINC000085818396 135038153 /nfs/dbraw/zinc/03/81/53/135038153.db2.gz XRQMNUCQTSJKJC-CMPLNLGQSA-N -1 3 276.336 1.546 10 0 CDAEHM Cc1cccc2c1N(C(=O)[C@H](N)CCC(=O)[O-])CCC2 ZINC000085842587 135038176 /nfs/dbraw/zinc/03/81/76/135038176.db2.gz PLTIDDOSXNQWSO-GFCCVEGCSA-N -1 3 276.336 1.466 10 0 CDAEHM O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc([O-])c1 ZINC000182415203 140020178 /nfs/dbraw/zinc/02/01/78/140020178.db2.gz JVLQAEAMRDYGJN-OAHLLOKOSA-N -1 3 296.326 1.928 10 0 CDAEHM CC(C)(C)OCCN1CCC(c2n[n-]c(=O)o2)CC1 ZINC000340214465 397618344 /nfs/dbraw/zinc/61/83/44/397618344.db2.gz RXBZQXRWSSNSEW-UHFFFAOYSA-N -1 3 269.345 1.770 10 0 CDAEHM CCO[C@@H](C)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000095175455 147111561 /nfs/dbraw/zinc/11/15/61/147111561.db2.gz IACPJYDOEWIIKH-VIFPVBQESA-N -1 3 275.312 1.154 10 0 CDAEHM CCO[C@@H](C)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000095175455 147111563 /nfs/dbraw/zinc/11/15/63/147111563.db2.gz IACPJYDOEWIIKH-VIFPVBQESA-N -1 3 275.312 1.154 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)CCc2ccncc2)n[n-]1 ZINC000119821091 147328076 /nfs/dbraw/zinc/32/80/76/147328076.db2.gz VBBHXULEKNNGGX-UHFFFAOYSA-N -1 3 296.334 1.777 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)CCc2ccncc2)[n-]n1 ZINC000119821091 147328079 /nfs/dbraw/zinc/32/80/79/147328079.db2.gz VBBHXULEKNNGGX-UHFFFAOYSA-N -1 3 296.334 1.777 10 0 CDAEHM Cc1cccc(C(=O)N2CCCC[C@H]2CC(N)=O)c1[O-] ZINC000124611577 147452360 /nfs/dbraw/zinc/45/23/60/147452360.db2.gz RRVSQGDWBHTRQW-NSHDSACASA-N -1 3 276.336 1.571 10 0 CDAEHM COc1nnc(NC(=O)C[C@H](C)c2ccc(OC)cc2)[n-]1 ZINC000182987437 148280559 /nfs/dbraw/zinc/28/05/59/148280559.db2.gz YITRLNPSJKRBCE-VIFPVBQESA-N -1 3 290.323 1.954 10 0 CDAEHM COc1nc(NC(=O)C[C@H](C)c2ccc(OC)cc2)n[n-]1 ZINC000182987437 148280561 /nfs/dbraw/zinc/28/05/61/148280561.db2.gz YITRLNPSJKRBCE-VIFPVBQESA-N -1 3 290.323 1.954 10 0 CDAEHM COc1n[n-]c(NC(=O)C[C@H](C)c2ccc(OC)cc2)n1 ZINC000182987437 148280565 /nfs/dbraw/zinc/28/05/65/148280565.db2.gz YITRLNPSJKRBCE-VIFPVBQESA-N -1 3 290.323 1.954 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](C)c2ccccc2F)[n-]1 ZINC000182991651 148282852 /nfs/dbraw/zinc/28/28/52/148282852.db2.gz DTMFDTNGKSNNHA-ZETCQYMHSA-N -1 3 264.260 1.695 10 0 CDAEHM COc1nc(NC(=O)[C@@H](C)c2ccccc2F)n[n-]1 ZINC000182991651 148282854 /nfs/dbraw/zinc/28/28/54/148282854.db2.gz DTMFDTNGKSNNHA-ZETCQYMHSA-N -1 3 264.260 1.695 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](C)c2ccccc2F)n1 ZINC000182991651 148282856 /nfs/dbraw/zinc/28/28/56/148282856.db2.gz DTMFDTNGKSNNHA-ZETCQYMHSA-N -1 3 264.260 1.695 10 0 CDAEHM O=C(Cc1ccc(F)cc1)NCc1ncccc1[O-] ZINC000352502645 155232081 /nfs/dbraw/zinc/23/20/81/155232081.db2.gz XCYQRUYGFGREEK-UHFFFAOYSA-N -1 3 260.268 1.785 10 0 CDAEHM CC(C)Nc1ccc(C(=O)NCc2ncccc2[O-])cn1 ZINC000352507361 155236236 /nfs/dbraw/zinc/23/62/36/155236236.db2.gz JVAHNIZMAAULLA-UHFFFAOYSA-N -1 3 286.335 1.933 10 0 CDAEHM COC(=O)[C@@H]1CCN(C(=O)c2cccc([O-])c2)[C@H]1C ZINC000334872763 150015604 /nfs/dbraw/zinc/01/56/04/150015604.db2.gz OUYNWHMTVLBHPS-JOYOIKCWSA-N -1 3 263.293 1.416 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-][C@H]2C[C@@](C)(O)C2)c1 ZINC000334902112 150055100 /nfs/dbraw/zinc/05/51/00/150055100.db2.gz PZGBHGXMSUTECJ-WAAGHKOSSA-N -1 3 261.368 1.248 10 0 CDAEHM CC[C@H]1[C@@H](CO)CCN1C(=O)c1cc(C)ccc1[O-] ZINC000335900044 151095704 /nfs/dbraw/zinc/09/57/04/151095704.db2.gz PFSTWQKUUFOQIE-YPMHNXCESA-N -1 3 263.337 1.934 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1ccoc1Cl ZINC000336062820 151237952 /nfs/dbraw/zinc/23/79/52/151237952.db2.gz HLVPKLHMIXBVLX-UHFFFAOYSA-N -1 3 252.657 1.964 10 0 CDAEHM COc1ncc(C[S@@](=O)c2ccc([O-])cc2)c(C)n1 ZINC000346392037 153168064 /nfs/dbraw/zinc/16/80/64/153168064.db2.gz VJBPNPMVJNIDHR-LJQANCHMSA-N -1 3 278.333 1.807 10 0 CDAEHM Cc1nnccc1NC(=O)NCc1ncccc1[O-] ZINC000346889083 153340043 /nfs/dbraw/zinc/34/00/43/153340043.db2.gz LAIYZTVFCGEKPR-UHFFFAOYSA-N -1 3 259.269 1.207 10 0 CDAEHM CCc1noc(C)c1NC(=O)NCc1ncccc1[O-] ZINC000346954466 153358102 /nfs/dbraw/zinc/35/81/02/153358102.db2.gz RJDXICOYMVVQBN-UHFFFAOYSA-N -1 3 276.296 1.968 10 0 CDAEHM CO[C@H]1CCC[C@H]1CNC(=O)NCc1ncccc1[O-] ZINC000349768579 154211764 /nfs/dbraw/zinc/21/17/64/154211764.db2.gz INPNXWRPIXJPPI-GWCFXTLKSA-N -1 3 279.340 1.402 10 0 CDAEHM CCOC[C@H](NC(=O)NCc1ncccc1[O-])C(C)C ZINC000349954128 154285301 /nfs/dbraw/zinc/28/53/01/154285301.db2.gz HUGZZQKCIQBHDV-LBPRGKRZSA-N -1 3 281.356 1.648 10 0 CDAEHM O=C(NCc1ncccc1[O-])N[C@@H]1Cc2cccc(O)c2C1 ZINC000349967504 154291087 /nfs/dbraw/zinc/29/10/87/154291087.db2.gz PLDNFAFRGALRRV-LLVKDONJSA-N -1 3 299.330 1.459 10 0 CDAEHM Cc1cc(=O)[nH]c(C(=O)NCc2ncccc2[O-])c1 ZINC000352220775 155032037 /nfs/dbraw/zinc/03/20/37/155032037.db2.gz JSNTXBMLFMGQBU-UHFFFAOYSA-N -1 3 259.265 1.126 10 0 CDAEHM Cc1cc(C(=O)NCC(=O)NCc2ccco2)ccc1[O-] ZINC000353886002 156141816 /nfs/dbraw/zinc/14/18/16/156141816.db2.gz IBVINDURCICFJJ-UHFFFAOYSA-N -1 3 288.303 1.340 10 0 CDAEHM CS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000456202646 286600554 /nfs/dbraw/zinc/60/05/54/286600554.db2.gz XROSMFNHUSLETQ-LBPRGKRZSA-N -1 3 297.376 1.432 10 0 CDAEHM CO[C@H](C)[C@@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000355951757 157296323 /nfs/dbraw/zinc/29/63/23/157296323.db2.gz GEVYHNNCOQOAEQ-NXEZZACHSA-N -1 3 274.324 1.625 10 0 CDAEHM COCCCn1nccc1CN1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000424411413 292384760 /nfs/dbraw/zinc/38/47/60/292384760.db2.gz AWYYOWHTYPZHHF-OCCSQVGLSA-N -1 3 295.383 1.605 10 0 CDAEHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)CC(C)C)N1 ZINC000004725134 170006166 /nfs/dbraw/zinc/00/61/66/170006166.db2.gz GJLQRIDTKLZJQW-SECBINFHSA-N -1 3 252.236 1.892 10 0 CDAEHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(NN)nc2)c1 ZINC000020472016 171214390 /nfs/dbraw/zinc/21/43/90/171214390.db2.gz OJWGPJJKOGCCEG-UHFFFAOYSA-N -1 3 296.327 1.616 10 0 CDAEHM Cn1ncc(NC(=O)Cc2cncc([O-])c2)c1C(F)F ZINC000655393746 412170591 /nfs/dbraw/zinc/17/05/91/412170591.db2.gz QDQOWPOEAROTCD-UHFFFAOYSA-N -1 3 282.250 1.640 10 0 CDAEHM CCOc1ccc(NC(=O)CNCCC(=O)[O-])cc1 ZINC000035386189 172168078 /nfs/dbraw/zinc/16/80/78/172168078.db2.gz CCXKMHHVGUVFKP-UHFFFAOYSA-N -1 3 266.297 1.088 10 0 CDAEHM O=C([O-])CNCc1cc2c(cc1Br)OCO2 ZINC000035452265 172205176 /nfs/dbraw/zinc/20/51/76/172205176.db2.gz WOMGTFAYJSWDIC-UHFFFAOYSA-N -1 3 288.097 1.352 10 0 CDAEHM O=C([O-])[C@H]1Cc2ccccc2CN1CCO[C@H]1CC1(F)F ZINC000656755098 413631555 /nfs/dbraw/zinc/63/15/55/413631555.db2.gz HSQANZNWKRAZDO-OLZOCXBDSA-N -1 3 297.301 1.922 10 0 CDAEHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H](CN)c1ccc(F)cc1 ZINC000656855315 413740159 /nfs/dbraw/zinc/74/01/59/413740159.db2.gz FYTWBTBDYKNCMO-VXGBXAGGSA-N -1 3 282.315 1.190 10 0 CDAEHM Cc1ccc([O-])c(CN[C@H](c2nncn2C)C(C)C)n1 ZINC000285467972 196293801 /nfs/dbraw/zinc/29/38/01/196293801.db2.gz KFBIOEVYGNPAQA-ZDUSSCGKSA-N -1 3 275.356 1.711 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-]C[C@H](C)c2ccccn2)s1 ZINC000657040875 413869173 /nfs/dbraw/zinc/86/91/73/413869173.db2.gz VZCSEYGVPVMBKK-VIFPVBQESA-N 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CC[C@@](C)(O)CCOC(=O)c1c[n-]c(C(=O)OC)c1 ZINC001344961042 964513475 /nfs/dbraw/zinc/51/34/75/964513475.db2.gz WWGBOTWOGOHGOL-CYBMUJFWSA-N -1 3 269.297 1.509 10 0 CDAEHM C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cnncc1[O-] ZINC001441549812 964587159 /nfs/dbraw/zinc/58/71/59/964587159.db2.gz IANCRKJGDYOFSR-MFKMUULPSA-N -1 3 279.340 1.507 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)C=Cc2ccc[nH]2)n1 ZINC001557322220 965165073 /nfs/dbraw/zinc/16/50/73/965165073.db2.gz YRWBERPOQPXNPI-PLNGDYQASA-N -1 3 258.281 1.148 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1ccc(C)nc1 ZINC001443450380 965471899 /nfs/dbraw/zinc/47/18/99/965471899.db2.gz UGLAULJKILEYSG-SZZPACECSA-N -1 3 286.335 1.031 10 0 CDAEHM C[C@@H](CN(C)C(=O)c1ccccc1[O-])NC(=O)[C@H]1C[C@@H]1C ZINC001443746321 965593310 /nfs/dbraw/zinc/59/33/10/965593310.db2.gz NZSIZWAJAQXPOG-GVXVVHGQSA-N -1 3 290.363 1.625 10 0 CDAEHM Cc1n[nH]c(C(=O)NC[C@H]2CCN2CCCC(C)C)c1[O-] ZINC001446038128 966427814 /nfs/dbraw/zinc/42/78/14/966427814.db2.gz LCOWKCFATNEWKU-GFCCVEGCSA-N -1 3 294.399 1.664 10 0 CDAEHM COc1n[n-]c(NC(=O)c2n[nH]c(C(F)(F)F)c2C)n1 ZINC001446206306 966484424 /nfs/dbraw/zinc/48/44/24/966484424.db2.gz ORVMVTBIRDTTBD-UHFFFAOYSA-N -1 3 290.205 1.116 10 0 CDAEHM COC(=O)/C=C/[C@@H](C)NC(=O)c1cc(SC)ccc1[O-] ZINC001350949716 966804681 /nfs/dbraw/zinc/80/46/81/966804681.db2.gz ATLJFHHXTJGXMC-ILFKPUCNSA-N -1 3 295.360 1.962 10 0 CDAEHM O=C(NCCCc1cc(=O)[nH][n-]1)c1c(Cl)ccnc1F ZINC001352199434 967135609 /nfs/dbraw/zinc/13/56/09/967135609.db2.gz TXLUECIQVLGICF-UHFFFAOYSA-N -1 3 298.705 1.260 10 0 CDAEHM Cc1noc(CCCNC(=O)Cc2ccc([O-])c(F)c2)n1 ZINC001542822322 967249202 /nfs/dbraw/zinc/24/92/02/967249202.db2.gz XRZATPBTQLJNNY-UHFFFAOYSA-N -1 3 293.298 1.514 10 0 CDAEHM CCO[C@@H](CC)C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456379007 968954197 /nfs/dbraw/zinc/95/41/97/968954197.db2.gz DESDHCGAUDWSJW-RQJHMYQMSA-N -1 3 294.277 1.816 10 0 CDAEHM CCCc1ccccc1OC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC001530905361 969207585 /nfs/dbraw/zinc/20/75/85/969207585.db2.gz QUTGGPOVBRYYFD-UHFFFAOYSA-N -1 3 289.291 1.642 10 0 CDAEHM COc1cnc(C(=O)[N-]c2nocc2C2CC2)nc1 ZINC001533975125 969467739 /nfs/dbraw/zinc/46/77/39/969467739.db2.gz NBIQZBLOXMHOBE-UHFFFAOYSA-N -1 3 260.253 1.603 10 0 CDAEHM Cc1nc(C)c(CCC(=O)N[C@@H]2CCOC2(C)C)c(=O)[n-]1 ZINC001460198540 969485419 /nfs/dbraw/zinc/48/54/19/969485419.db2.gz YMSRWNKSVDFCDX-GFCCVEGCSA-N -1 3 293.367 1.415 10 0 CDAEHM CC(C)c1cnc(CN2CC[C@H](c3nnn[n-]3)C2)o1 ZINC001460696422 969531412 /nfs/dbraw/zinc/53/14/12/969531412.db2.gz PGCIWNZZYTZLBB-VIFPVBQESA-N -1 3 262.317 1.301 10 0 CDAEHM CC(C)c1cnc(CN2CC[C@H](c3nn[n-]n3)C2)o1 ZINC001460696422 969531417 /nfs/dbraw/zinc/53/14/17/969531417.db2.gz PGCIWNZZYTZLBB-VIFPVBQESA-N -1 3 262.317 1.301 10 0 CDAEHM O=C(NCCOC1CCC1)c1cc(F)cc2n[n-]nc21 ZINC001465532385 969882569 /nfs/dbraw/zinc/88/25/69/969882569.db2.gz BEPAWNBBPQSHLQ-UHFFFAOYSA-N -1 3 278.287 1.396 10 0 CDAEHM CC(=CC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O)c1ccco1 ZINC001465650370 969887668 /nfs/dbraw/zinc/88/76/68/969887668.db2.gz IFTIRKLLTHLETC-SREVYHEPSA-N -1 3 275.264 1.831 10 0 CDAEHM CCCC[C@H](O)CCC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC001468634651 970182313 /nfs/dbraw/zinc/18/23/13/970182313.db2.gz IDQRPOZMSNFKSK-LBPRGKRZSA-N -1 3 283.372 1.090 10 0 CDAEHM O=C([N-]C1(CF)CCOCC1)C(F)(F)c1nccs1 ZINC001361475034 970233134 /nfs/dbraw/zinc/23/31/34/970233134.db2.gz JYKFQGUWRZTZBV-UHFFFAOYSA-N -1 3 294.298 1.870 10 0 CDAEHM COC(=O)c1oc(C(=O)[N-]c2cc(OC)ncn2)cc1C ZINC001361502433 970251141 /nfs/dbraw/zinc/25/11/41/970251141.db2.gz YHIBWEUSMCYJEQ-UHFFFAOYSA-N -1 3 291.263 1.426 10 0 CDAEHM CCOC(=O)C1(CC(=O)Nc2nnc(OCC)[n-]2)CCC1 ZINC001471299580 970409970 /nfs/dbraw/zinc/40/99/70/970409970.db2.gz APLRIOOHVHBIKS-UHFFFAOYSA-N -1 3 296.327 1.265 10 0 CDAEHM CCOC(=O)C1(CC(=O)Nc2n[n-]c(OCC)n2)CCC1 ZINC001471299580 970409976 /nfs/dbraw/zinc/40/99/76/970409976.db2.gz APLRIOOHVHBIKS-UHFFFAOYSA-N -1 3 296.327 1.265 10 0 CDAEHM CCOC(=O)C1(CC(=O)Nc2nc(OCC)n[n-]2)CCC1 ZINC001471299580 970409980 /nfs/dbraw/zinc/40/99/80/970409980.db2.gz APLRIOOHVHBIKS-UHFFFAOYSA-N -1 3 296.327 1.265 10 0 CDAEHM C[S@@](=O)(=NC(=O)c1cc(=O)[n-]cn1)c1ccc(F)cc1 ZINC001471989527 970530637 /nfs/dbraw/zinc/53/06/37/970530637.db2.gz PRBJEBMXIMUTGA-FQEVSTJZSA-N -1 3 295.295 1.618 10 0 CDAEHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1ccccc1[O-] ZINC001397532392 975616909 /nfs/dbraw/zinc/61/69/09/975616909.db2.gz JQZJIQVFVGWTAU-JFGNBEQYSA-N -1 3 276.336 1.283 10 0 CDAEHM CC(C)CCCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1cn[n-]n1 ZINC001380485902 976432244 /nfs/dbraw/zinc/43/22/44/976432244.db2.gz PTXREVGMJRBGCF-GHMZBOCLSA-N -1 3 295.387 1.254 10 0 CDAEHM O=C(CCc1cnn[nH]1)Nc1ccc(F)c(F)c1[O-] ZINC001570132902 1170089846 /nfs/dbraw/zinc/08/98/46/1170089846.db2.gz ZPXQVEKCGIDZCL-UHFFFAOYSA-N -1 3 268.223 1.360 10 0 CDAEHM CCc1nocc1CN[C@@H](Cc1cncs1)C(=O)[O-] ZINC001650014532 1126251594 /nfs/dbraw/zinc/25/15/94/1126251594.db2.gz MSNWCUZHOSIVNL-NSHDSACASA-N -1 3 281.337 1.479 10 0 CDAEHM C[C@@H]1CC[C@@H](NC(=O)c2cccc([O-])c2)CS1(=O)=O ZINC000618308854 349434525 /nfs/dbraw/zinc/43/45/25/349434525.db2.gz XTPBPZSGKWUKOU-MWLCHTKSSA-N -1 3 283.349 1.088 10 0 CDAEHM C/C=C/C[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000626163670 342477177 /nfs/dbraw/zinc/47/71/77/342477177.db2.gz ODUBIYSFDRXSCT-PGLGOXFNSA-N -1 3 250.346 1.287 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)c1 ZINC000621303442 341983966 /nfs/dbraw/zinc/98/39/66/341983966.db2.gz FYJFGDWGVJYEPH-QMMMGPOBSA-N -1 3 279.312 1.227 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2CC[C@@H](O)CC23CCC3)cs1 ZINC000616384216 341995681 /nfs/dbraw/zinc/99/56/81/341995681.db2.gz NVZAVSKSGVGECZ-SNVBAGLBSA-N -1 3 295.408 1.516 10 0 CDAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CC(CC2CC2)C1 ZINC000623041279 342544772 /nfs/dbraw/zinc/54/47/72/342544772.db2.gz DQKLIBNDXNLILK-UHFFFAOYSA-N -1 3 274.299 1.969 10 0 CDAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CC(CC2CC2)C1 ZINC000623041279 342544773 /nfs/dbraw/zinc/54/47/73/342544773.db2.gz DQKLIBNDXNLILK-UHFFFAOYSA-N -1 3 274.299 1.969 10 0 CDAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CC(CC2CC2)C1 ZINC000623041279 342544774 /nfs/dbraw/zinc/54/47/74/342544774.db2.gz DQKLIBNDXNLILK-UHFFFAOYSA-N -1 3 274.299 1.969 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC2(O)CCC2)c(F)c1F ZINC000624995653 342025736 /nfs/dbraw/zinc/02/57/36/342025736.db2.gz ZPTFBBWPODCGTL-UHFFFAOYSA-N -1 3 291.319 1.467 10 0 CDAEHM CCO[C@@H](CS(=O)(=O)[N-]C[C@@](C)(O)C(C)C)C1CC1 ZINC000625008770 342026741 /nfs/dbraw/zinc/02/67/41/342026741.db2.gz VHQPWYMQDAMDCG-QWHCGFSZSA-N -1 3 293.429 1.128 10 0 CDAEHM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000351610812 361801968 /nfs/dbraw/zinc/80/19/68/361801968.db2.gz YCMCJABDNZDXPK-HMDXOVGESA-N -1 3 259.327 1.193 10 0 CDAEHM [O-]c1ccc(Cl)c(CN2CCn3c(CO)nnc3C2)c1 ZINC000625257609 342058147 /nfs/dbraw/zinc/05/81/47/342058147.db2.gz UBLNHHMNVIDNDP-UHFFFAOYSA-N -1 3 294.742 1.145 10 0 CDAEHM CO[C@@]1(CO)CCCN(C(=O)c2ccccc2[O-])C1 ZINC000401661661 342588754 /nfs/dbraw/zinc/58/87/54/342588754.db2.gz YBHDPOPYTUYQFU-AWEZNQCLSA-N -1 3 265.309 1.006 10 0 CDAEHM Cc1cc(C(=O)NCC[C@@H](O)C(F)(F)F)ccc1[O-] ZINC000354730363 365650390 /nfs/dbraw/zinc/65/03/90/365650390.db2.gz NPBKNILEQKTUJB-SNVBAGLBSA-N -1 3 277.242 1.744 10 0 CDAEHM O=C([O-])c1cccc([C@@H]2CCN(CCO)CCO2)c1 ZINC000616665624 342125759 /nfs/dbraw/zinc/12/57/59/342125759.db2.gz PDXSZBLVBKGTBL-ZDUSSCGKSA-N -1 3 265.309 1.141 10 0 CDAEHM Cc1ccc([O-])c(C(=O)NC2(CC(N)=O)CCC2)c1 ZINC000354777652 365685047 /nfs/dbraw/zinc/68/50/47/365685047.db2.gz VWXFIHMCURVAQF-UHFFFAOYSA-N -1 3 262.309 1.229 10 0 CDAEHM O=C([O-])c1cccc([C@@H]2CN(CCO)CCCO2)c1 ZINC000616649376 342123778 /nfs/dbraw/zinc/12/37/78/342123778.db2.gz GUGFPLYHEDYWPC-ZDUSSCGKSA-N -1 3 265.309 1.141 10 0 CDAEHM COC(=O)c1cc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)cn1C ZINC000592424034 342690255 /nfs/dbraw/zinc/69/02/55/342690255.db2.gz RTEOFIXHZONCDI-CMPLNLGQSA-N -1 3 294.351 1.354 10 0 CDAEHM CCNS(=O)(=O)[N-]c1cc(C)c(Br)cn1 ZINC000127157726 342169086 /nfs/dbraw/zinc/16/90/86/342169086.db2.gz OVPPZMOTUGIKEU-UHFFFAOYSA-N -1 3 294.174 1.419 10 0 CDAEHM COC[C@@H]1C[C@@H](O)CN1Cc1cc([O-])ccc1Cl ZINC000625511092 342179523 /nfs/dbraw/zinc/17/95/23/342179523.db2.gz ACNPIJNCKCLGRR-CMPLNLGQSA-N -1 3 271.744 1.627 10 0 CDAEHM C/C=C/C[N-]S(=O)(=O)c1cccc(OC)c1F ZINC000625556435 342187002 /nfs/dbraw/zinc/18/70/02/342187002.db2.gz HFOGMDRJNQHPPI-ONEGZZNKSA-N -1 3 259.302 1.689 10 0 CDAEHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCO[C@H](CO)C1 ZINC000270401200 361925571 /nfs/dbraw/zinc/92/55/71/361925571.db2.gz ZGOJOUGSZXSCNL-ZDUSSCGKSA-N -1 3 291.347 1.104 10 0 CDAEHM Cc1ccc(C(=O)NCCc2nnc3n2CCC3)c([O-])c1 ZINC000094021037 539037071 /nfs/dbraw/zinc/03/70/71/539037071.db2.gz BIITZGIQANQVMP-UHFFFAOYSA-N -1 3 286.335 1.211 10 0 CDAEHM Cc1nccc(C(=O)[N-]c2nc(-c3ccccc3)no2)n1 ZINC000588761424 342221020 /nfs/dbraw/zinc/22/10/20/342221020.db2.gz QWSTTWWJQWYZKJ-UHFFFAOYSA-N -1 3 281.275 1.509 10 0 CDAEHM CSCC(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000588862762 342223299 /nfs/dbraw/zinc/22/32/99/342223299.db2.gz SQDFJPXXLGKONR-DTWKUNHWSA-N -1 3 297.380 1.230 10 0 CDAEHM CCC1(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)CC1 ZINC000533186030 539079181 /nfs/dbraw/zinc/07/91/81/539079181.db2.gz OVUIJLKPNXWKRH-UHFFFAOYSA-N -1 3 271.324 1.919 10 0 CDAEHM CCC1(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)CC1 ZINC000533186030 539079182 /nfs/dbraw/zinc/07/91/82/539079182.db2.gz OVUIJLKPNXWKRH-UHFFFAOYSA-N -1 3 271.324 1.919 10 0 CDAEHM O=C(CC1CCC1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120750351 539079631 /nfs/dbraw/zinc/07/96/31/539079631.db2.gz ZYJDNRGZLIEEPH-UHFFFAOYSA-N -1 3 271.324 1.919 10 0 CDAEHM O=C(CC1CCC1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120750351 539079632 /nfs/dbraw/zinc/07/96/32/539079632.db2.gz ZYJDNRGZLIEEPH-UHFFFAOYSA-N -1 3 271.324 1.919 10 0 CDAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccs2)c2ncnn21 ZINC000657064539 539107048 /nfs/dbraw/zinc/10/70/48/539107048.db2.gz KLOCUGUVGYLFKV-HTQZYQBOSA-N -1 3 284.366 1.324 10 0 CDAEHM O=C(N[C@H]1CCCC[C@H]1CO)c1cccc2nn[n-]c21 ZINC000188497106 539150611 /nfs/dbraw/zinc/15/06/11/539150611.db2.gz JXOHMJAWBSGCLK-ONGXEEELSA-N -1 3 274.324 1.239 10 0 CDAEHM O=C(N[C@H]1CCCC[C@H]1CO)c1cccc2[n-]nnc21 ZINC000188497106 539150612 /nfs/dbraw/zinc/15/06/12/539150612.db2.gz JXOHMJAWBSGCLK-ONGXEEELSA-N -1 3 274.324 1.239 10 0 CDAEHM O=C(N[C@H]1CCCC[C@H]1CO)c1cccc2n[n-]nc21 ZINC000188497106 539150613 /nfs/dbraw/zinc/15/06/13/539150613.db2.gz JXOHMJAWBSGCLK-ONGXEEELSA-N -1 3 274.324 1.239 10 0 CDAEHM O=C(NC[C@@H](O)C1CC1)c1cc2c(cc1[O-])CCCC2 ZINC000269836272 190557168 /nfs/dbraw/zinc/55/71/68/190557168.db2.gz KLPMMYRRJKFDJQ-OAHLLOKOSA-N -1 3 275.348 1.772 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)NCC1CCC(O)CC1 ZINC000619412013 349691228 /nfs/dbraw/zinc/69/12/28/349691228.db2.gz NCWRPIHBLLNBTE-UHFFFAOYSA-N -1 3 281.327 1.741 10 0 CDAEHM COC(=O)C1(CNC(C)(C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000595524919 343089097 /nfs/dbraw/zinc/08/90/97/343089097.db2.gz APFFPUZBZOAUFO-UHFFFAOYSA-N -1 3 279.340 1.269 10 0 CDAEHM CC(C)c1nc(S(=O)(=O)[N-]CC[C@H](C)F)c[nH]1 ZINC000645093649 362113593 /nfs/dbraw/zinc/11/35/93/362113593.db2.gz GUIXBTQXCWSEPK-QMMMGPOBSA-N -1 3 263.338 1.560 10 0 CDAEHM COC(=O)CC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000082282689 342375627 /nfs/dbraw/zinc/37/56/27/342375627.db2.gz NTWLPYKHJGKXKG-UHFFFAOYSA-N -1 3 277.320 1.808 10 0 CDAEHM CCOC(=O)c1csc(=NCC[C@@H](COC)OC)[n-]1 ZINC000596328264 343304009 /nfs/dbraw/zinc/30/40/09/343304009.db2.gz KTIHDYAOXDYLAG-VIFPVBQESA-N -1 3 288.369 1.205 10 0 CDAEHM CCOC(=O)c1cc(-c2cccc(OCCOC)n2)n[n-]1 ZINC000596645943 343370266 /nfs/dbraw/zinc/37/02/66/343370266.db2.gz KQRHESWBDAYXOU-UHFFFAOYSA-N -1 3 291.307 1.674 10 0 CDAEHM CCOC(=O)c1cc(-c2cccc(OCCOC)n2)[n-]n1 ZINC000596645943 343370268 /nfs/dbraw/zinc/37/02/68/343370268.db2.gz KQRHESWBDAYXOU-UHFFFAOYSA-N -1 3 291.307 1.674 10 0 CDAEHM Cc1ccc([O-])c(CN(CCCO)CC(F)(F)F)n1 ZINC000093043421 342423327 /nfs/dbraw/zinc/42/33/27/342423327.db2.gz VKMQJZSAZIXZEN-UHFFFAOYSA-N -1 3 278.274 1.842 10 0 CDAEHM c1ccc(COc2ccc(Cc3nnn[n-]3)cc2)nc1 ZINC000095251514 342431454 /nfs/dbraw/zinc/43/14/54/342431454.db2.gz STLWLWQYEZIRGD-UHFFFAOYSA-N -1 3 267.292 1.765 10 0 CDAEHM c1ccc(COc2ccc(Cc3nn[n-]n3)cc2)nc1 ZINC000095251514 342431455 /nfs/dbraw/zinc/43/14/55/342431455.db2.gz STLWLWQYEZIRGD-UHFFFAOYSA-N -1 3 267.292 1.765 10 0 CDAEHM C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2n[nH]c(=O)[n-]2)C1 ZINC000091621852 342406122 /nfs/dbraw/zinc/40/61/22/342406122.db2.gz OTFMAYNLOVAMPJ-RNCFNFMXSA-N -1 3 268.361 1.177 10 0 CDAEHM CN(C1CCCCC1)S(=O)(=O)NCc1ncccc1[O-] ZINC000360025972 362210563 /nfs/dbraw/zinc/21/05/63/362210563.db2.gz WOCBIAKBIKLYKZ-UHFFFAOYSA-N -1 3 299.396 1.386 10 0 CDAEHM O=C(NCc1ncccc1[O-])[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000626738101 346966841 /nfs/dbraw/zinc/96/68/41/346966841.db2.gz JKXHCAXWCVUPPC-APHBMKBZSA-N -1 3 280.327 1.989 10 0 CDAEHM CO[C@@]1(C(=O)Nc2ccc([O-])cc2Cl)CCOC1 ZINC000401988994 343902157 /nfs/dbraw/zinc/90/21/57/343902157.db2.gz CDIZMQNNRICACE-LBPRGKRZSA-N -1 3 271.700 1.790 10 0 CDAEHM CO[C@H]1C[C@@H](CC(=O)[O-])N(Cc2cccc(C(C)=O)c2)C1 ZINC000571338174 362412838 /nfs/dbraw/zinc/41/28/38/362412838.db2.gz ZBUVQQILTHIXCZ-GJZGRUSLSA-N -1 3 291.347 1.953 10 0 CDAEHM Cc1nnc(C[S@](=O)c2ccc([O-])cc2)n1C1CC1 ZINC000194528326 362466109 /nfs/dbraw/zinc/46/61/09/362466109.db2.gz OSQDHIWOZYAVMK-IBGZPJMESA-N -1 3 277.349 1.935 10 0 CDAEHM C[C@H]1COC2(CCC2)CN1C(=O)c1ccc(O)cc1[O-] ZINC000617945688 344684676 /nfs/dbraw/zinc/68/46/76/344684676.db2.gz XAWRQGIWWRPNBC-JTQLQIEISA-N -1 3 277.320 1.881 10 0 CDAEHM CO[C@@]1(C)CCCN(Cc2nc(C)cc(=O)[n-]2)C1 ZINC001658512460 1172045405 /nfs/dbraw/zinc/04/54/05/1172045405.db2.gz QUVSKSROKCFPBV-ZDUSSCGKSA-N -1 3 251.330 1.492 10 0 CDAEHM Cc1cccc(S(=O)(=O)[N-]CC2=CCOCC2)c1F ZINC000397794734 345256273 /nfs/dbraw/zinc/25/62/73/345256273.db2.gz CGKPWTGBMKLTFC-UHFFFAOYSA-N -1 3 285.340 1.759 10 0 CDAEHM CCc1cc(=NC(=O)c2cc(C3CC3)n(C)n2)[n-]o1 ZINC000607911976 345467310 /nfs/dbraw/zinc/46/73/10/345467310.db2.gz XGDBVZYSJMZMDD-UHFFFAOYSA-N -1 3 260.297 1.522 10 0 CDAEHM C[C@@H]1C[C@H](NC(=O)c2cccc([O-])c2)c2ncnn21 ZINC000617424653 345529444 /nfs/dbraw/zinc/52/94/44/345529444.db2.gz CDBZMNIIOKZWKM-KCJUWKMLSA-N -1 3 258.281 1.420 10 0 CDAEHM C[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])c2ncnn21 ZINC000617430143 345532403 /nfs/dbraw/zinc/53/24/03/345532403.db2.gz LPVHCEINELXOPD-WCBMZHEXSA-N -1 3 258.281 1.420 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCC[C@H](CO)C1 ZINC000412926927 362649452 /nfs/dbraw/zinc/64/94/52/362649452.db2.gz CHBLJGROPWMABJ-NWDGAFQWSA-N -1 3 281.327 1.741 10 0 CDAEHM CSc1ccc([O-])c(C(=O)N[C@@H]2Cc3cncn3C2)c1 ZINC000623254740 345786626 /nfs/dbraw/zinc/78/66/26/345786626.db2.gz UXSPGSKIONWNRD-SECBINFHSA-N -1 3 289.360 1.665 10 0 CDAEHM CC1(C)Cc2ccc(C(=O)NC/C=C/CO)c([O-])c2O1 ZINC000617685865 345915862 /nfs/dbraw/zinc/91/58/62/345915862.db2.gz YLGQWYDLVVYJOU-ONEGZZNKSA-N -1 3 277.320 1.384 10 0 CDAEHM CC(C)C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000085324607 179018024 /nfs/dbraw/zinc/01/80/24/179018024.db2.gz GUHYYSYJPPPHSC-VWYCJHECSA-N -1 3 256.346 1.119 10 0 CDAEHM COC(=O)c1cc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)oc1C ZINC000584719416 346413818 /nfs/dbraw/zinc/41/38/18/346413818.db2.gz FRGWJGPHPMSWTG-TVQRCGJNSA-N -1 3 295.335 1.917 10 0 CDAEHM CCCCC[C@H](C)[C@@H](C)NC(=O)[C@H](N)CC(=O)[O-] ZINC000584600814 346496762 /nfs/dbraw/zinc/49/67/62/346496762.db2.gz YKHDJKZXBBJNHD-HBNTYKKESA-N -1 3 258.362 1.510 10 0 CDAEHM C[C@]12COC[C@H]1CN(C(=O)c1cc(=O)c3ccccc3[n-]1)C2 ZINC000618722434 346785968 /nfs/dbraw/zinc/78/59/68/346785968.db2.gz HXIYKDMFTCUCHA-DIFFPNOSSA-N -1 3 298.342 1.637 10 0 CDAEHM CC(C)[C@H](NC(=O)[C@H](N)CC(=O)[O-])c1ccc(F)cc1 ZINC000085813106 179178197 /nfs/dbraw/zinc/17/81/97/179178197.db2.gz LLRFDDLGNHZSJJ-YPMHNXCESA-N -1 3 282.315 1.441 10 0 CDAEHM CCOc1ccccc1CN(C)C(=O)[C@H](N)CCC(=O)[O-] ZINC000085840167 179184761 /nfs/dbraw/zinc/18/47/61/179184761.db2.gz JIXVJBMMFAHYNO-GFCCVEGCSA-N -1 3 294.351 1.236 10 0 CDAEHM C[C@H](CNC(=O)[C@@H](N)CCC(=O)[O-])c1ccccc1 ZINC000085842637 179185902 /nfs/dbraw/zinc/18/59/02/179185902.db2.gz RKUVVDSFFGFGDX-PWSUYJOCSA-N -1 3 264.325 1.098 10 0 CDAEHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000563258308 293326927 /nfs/dbraw/zinc/32/69/27/293326927.db2.gz TZISWFAWYKIRQX-MWLCHTKSSA-N -1 3 275.370 1.663 10 0 CDAEHM CO[C@H](C(=O)N1CCc2nc[n-]c(=O)c2C1)C1CCCC1 ZINC000612812096 347289960 /nfs/dbraw/zinc/28/99/60/347289960.db2.gz ZFJKJHUXYPYMBF-ZDUSSCGKSA-N -1 3 291.351 1.272 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)n[n-]1 ZINC000413665279 362835123 /nfs/dbraw/zinc/83/51/23/362835123.db2.gz GNDULBXGEMZHSL-TVQRCGJNSA-N -1 3 276.271 1.637 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)[n-]1 ZINC000413665279 362835126 /nfs/dbraw/zinc/83/51/26/362835126.db2.gz GNDULBXGEMZHSL-TVQRCGJNSA-N -1 3 276.271 1.637 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)n1 ZINC000413665279 362835128 /nfs/dbraw/zinc/83/51/28/362835128.db2.gz GNDULBXGEMZHSL-TVQRCGJNSA-N -1 3 276.271 1.637 10 0 CDAEHM COc1ccc(C(=O)N[C@H]2CCC[C@@H](O)C2)c([O-])c1 ZINC000614145735 348014641 /nfs/dbraw/zinc/01/46/41/348014641.db2.gz XGDPKMZKLMJQQU-VHSXEESVSA-N -1 3 265.309 1.434 10 0 CDAEHM Cn1nncc1CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000614487775 348124892 /nfs/dbraw/zinc/12/48/92/348124892.db2.gz FXRQIDXGRDDECX-UHFFFAOYSA-N -1 3 288.351 1.999 10 0 CDAEHM COc1cnccc1[C@H](C)[N-]S(=O)(=O)c1ccoc1 ZINC000352147497 362901374 /nfs/dbraw/zinc/90/13/74/362901374.db2.gz AJXWLQGVDQAHSD-VIFPVBQESA-N -1 3 282.321 1.723 10 0 CDAEHM CCOc1nc2ccc(C(=O)N3CCOC3)cc2[n-]1 ZINC000615765577 348709493 /nfs/dbraw/zinc/70/94/93/348709493.db2.gz ILNDHLRSDRFWEQ-UHFFFAOYSA-N -1 3 261.281 1.392 10 0 CDAEHM CCOc1nc2cc(C(=O)N3CCOC3)ccc2[n-]1 ZINC000615765577 348709495 /nfs/dbraw/zinc/70/94/95/348709495.db2.gz ILNDHLRSDRFWEQ-UHFFFAOYSA-N -1 3 261.281 1.392 10 0 CDAEHM COc1ccc(C(=O)N2C[C@@H](C)C(=O)[C@H](C)C2)c([O-])c1 ZINC000618093379 349380726 /nfs/dbraw/zinc/38/07/26/349380726.db2.gz TUZRRRVQNQFZJP-NXEZZACHSA-N -1 3 277.320 1.698 10 0 CDAEHM CCC[C@@H]1CN(Cc2nccn2C)C[C@H]1C(=O)[O-] ZINC000091487186 180167969 /nfs/dbraw/zinc/16/79/69/180167969.db2.gz AMWURNOHXOQVQZ-GHMZBOCLSA-N -1 3 251.330 1.353 10 0 CDAEHM CC(C)CN(C(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccccc1 ZINC000271357491 191093205 /nfs/dbraw/zinc/09/32/05/191093205.db2.gz IMZYSZGTSMFUII-LBPRGKRZSA-N -1 3 289.335 1.274 10 0 CDAEHM CC[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])C[C@H](C)N1 ZINC000620899314 350370216 /nfs/dbraw/zinc/37/02/16/350370216.db2.gz CEVGQKXMMLMVCY-GXSJLCMTSA-N -1 3 266.316 1.744 10 0 CDAEHM C[C@@]1(C(F)F)CN(C(=O)c2ccccc2[O-])CCO1 ZINC000621199198 350483087 /nfs/dbraw/zinc/48/30/87/350483087.db2.gz OTQKNQPHPVSHMS-ZDUSSCGKSA-N -1 3 271.263 1.888 10 0 CDAEHM CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cncc([O-])c1 ZINC000109955233 186281233 /nfs/dbraw/zinc/28/12/33/186281233.db2.gz ROZGTUKZCXBZIX-OAHLLOKOSA-N -1 3 299.374 1.690 10 0 CDAEHM COC(=O)C1([N-]S(=O)(=O)C[C@H]2CCCC2(F)F)CC1 ZINC000451367082 290911460 /nfs/dbraw/zinc/91/14/60/290911460.db2.gz ZSMBYAUQWXNMEF-MRVPVSSYSA-N -1 3 297.323 1.047 10 0 CDAEHM O=C(c1cc(F)c[n-]c1=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000621931603 350868119 /nfs/dbraw/zinc/86/81/19/350868119.db2.gz BWHSNLYBTZZMEI-BXKDBHETSA-N -1 3 280.299 1.567 10 0 CDAEHM O=C(c1cc(F)c[n-]c1=O)N1CCC[C@]2(CCOC2)C1 ZINC000622094263 350990761 /nfs/dbraw/zinc/99/07/61/350990761.db2.gz HFIXCVGMJOMDIB-AWEZNQCLSA-N -1 3 280.299 1.569 10 0 CDAEHM O=C(c1c([O-])cccc1O)N1CCC[C@@](O)(C2CC2)C1 ZINC000622162785 351045498 /nfs/dbraw/zinc/04/54/98/351045498.db2.gz YJFQZHQVYVTQII-HNNXBMFYSA-N -1 3 277.320 1.475 10 0 CDAEHM Cc1nn(C)c(C)c1-c1cc(C(=O)[N-]c2cnoc2)n[nH]1 ZINC000624009553 351377544 /nfs/dbraw/zinc/37/75/44/351377544.db2.gz BZCXKZNMDFGZQW-UHFFFAOYSA-N -1 3 286.295 1.667 10 0 CDAEHM CC[C@@H](CC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)C(C)(C)C ZINC000631620829 363027488 /nfs/dbraw/zinc/02/74/88/363027488.db2.gz JXUUFWJVUGIXOE-QWRGUYRKSA-N -1 3 295.383 1.211 10 0 CDAEHM CO[C@](C)(C[N-]S(=O)(=O)Cc1cc(C)on1)C1CC1 ZINC000291653150 198052119 /nfs/dbraw/zinc/05/21/19/198052119.db2.gz ILUKWZLIEQDRFP-GFCCVEGCSA-N -1 3 288.369 1.218 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)NC[C@@H](CO)C1CC1 ZINC000451867380 363160862 /nfs/dbraw/zinc/16/08/62/363160862.db2.gz KURDNVVASHVWJB-NSHDSACASA-N -1 3 267.300 1.209 10 0 CDAEHM CO[C@H]1COCC[C@@H]1CC(=O)Nc1cccc([O-])c1F ZINC000569899394 363193914 /nfs/dbraw/zinc/19/39/14/363193914.db2.gz KCJVLINPGWFIJR-SKDRFNHKSA-N -1 3 283.299 1.911 10 0 CDAEHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)[C@@H]1CCCO1 ZINC000156716310 188278461 /nfs/dbraw/zinc/27/84/61/188278461.db2.gz LFIPIHFAGJPKMO-ZANVPECISA-N -1 3 282.315 1.898 10 0 CDAEHM CCNC(=O)N1CC[C@H](NC(=O)c2ccc(C)cc2[O-])C1 ZINC000158416936 188375539 /nfs/dbraw/zinc/37/55/39/188375539.db2.gz HTSPDMFJBUTLLU-NSHDSACASA-N -1 3 291.351 1.234 10 0 CDAEHM O=C([N-]OCC1CC1)Nc1ccc2c(c1)OCC(=O)N2 ZINC000292715750 198387338 /nfs/dbraw/zinc/38/73/38/198387338.db2.gz UFNXTNJSRPOUTQ-UHFFFAOYSA-N -1 3 277.280 1.481 10 0 CDAEHM C[C@@H]1COCC[C@@H]1C(=O)N=c1cc2ccccn2[n-]1 ZINC000570032434 363296617 /nfs/dbraw/zinc/29/66/17/363296617.db2.gz WVPRRIIXTPMXGQ-PWSUYJOCSA-N -1 3 259.309 1.367 10 0 CDAEHM CCCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000360092136 283049172 /nfs/dbraw/zinc/04/91/72/283049172.db2.gz GZRXVGWZRIJPFI-CYBMUJFWSA-N -1 3 290.363 1.865 10 0 CDAEHM O=c1[nH]cc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)s1 ZINC000632109705 356115015 /nfs/dbraw/zinc/11/50/15/356115015.db2.gz LPTYCIBEELYYAA-RXMQYKEDSA-N -1 3 284.309 1.315 10 0 CDAEHM COc1cc(C(=O)NC(C)(C)C(C)(C)O)cc(OC)c1[O-] ZINC000273816170 192318470 /nfs/dbraw/zinc/31/84/70/192318470.db2.gz FDVILOKMXVBNNV-UHFFFAOYSA-N -1 3 297.351 1.689 10 0 CDAEHM O=C([O-])[C@H]1Cc2c(F)cc(Br)cc2CN1 ZINC000725256012 538451858 /nfs/dbraw/zinc/45/18/58/538451858.db2.gz RDAAJCRWLRXTLW-SECBINFHSA-N -1 3 274.089 1.687 10 0 CDAEHM CCc1c(-c2ccccc2)[n-]n(C(COC)COC)c1=O ZINC000634634780 356611570 /nfs/dbraw/zinc/61/15/70/356611570.db2.gz KDVAFQDPNNJXCX-CQSZACIVSA-N -1 3 290.363 1.921 10 0 CDAEHM CCOC(=O)c1nn[n-]c1-c1ncc(CC)s1 ZINC000725266572 538456471 /nfs/dbraw/zinc/45/64/71/538456471.db2.gz PJNCMNVYNAUDPF-UHFFFAOYSA-N -1 3 252.299 1.667 10 0 CDAEHM CCOC(=O)c1[n-]nnc1-c1ncc(CC)s1 ZINC000725266572 538456475 /nfs/dbraw/zinc/45/64/75/538456475.db2.gz PJNCMNVYNAUDPF-UHFFFAOYSA-N -1 3 252.299 1.667 10 0 CDAEHM CC(C)(C)c1ccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000042813538 357081450 /nfs/dbraw/zinc/08/14/50/357081450.db2.gz XBAJMBCDVPRLSY-NSHDSACASA-N -1 3 289.335 1.521 10 0 CDAEHM COc1cccc([C@H](C(=O)[O-])N2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000634692728 357095947 /nfs/dbraw/zinc/09/59/47/357095947.db2.gz HREBVOZYDBDEMH-NJZAAPMLSA-N -1 3 277.320 1.278 10 0 CDAEHM C[C@@H]1CCCCN1CCNC(=O)c1ccccc1[O-] ZINC000047142669 357153550 /nfs/dbraw/zinc/15/35/50/357153550.db2.gz IVDMLBQXRJLGEE-GFCCVEGCSA-N -1 3 262.353 1.996 10 0 CDAEHM C[C@@H](NC(=O)c1c[n-]nn1)c1cccc(Cl)c1 ZINC000108285023 357405480 /nfs/dbraw/zinc/40/54/80/357405480.db2.gz NDJXFEVBGGTNKC-SSDOTTSWSA-N -1 3 250.689 1.949 10 0 CDAEHM C[C@@H](NC(=O)c1cnn[n-]1)c1cccc(Cl)c1 ZINC000108285023 357405483 /nfs/dbraw/zinc/40/54/83/357405483.db2.gz NDJXFEVBGGTNKC-SSDOTTSWSA-N -1 3 250.689 1.949 10 0 CDAEHM C[C@@H](NC(=O)c1cn[n-]n1)c1cccc(Cl)c1 ZINC000108285023 357405486 /nfs/dbraw/zinc/40/54/86/357405486.db2.gz NDJXFEVBGGTNKC-SSDOTTSWSA-N -1 3 250.689 1.949 10 0 CDAEHM O=c1[nH]cc(S(=O)(=O)[N-]c2cc(F)ccc2F)s1 ZINC000335466998 357601510 /nfs/dbraw/zinc/60/15/10/357601510.db2.gz UNGBXHBOYDVHDR-UHFFFAOYSA-N -1 3 292.288 1.928 10 0 CDAEHM CC(C)C[C@@H](CO)N(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000187123807 357730935 /nfs/dbraw/zinc/73/09/35/357730935.db2.gz ZNMLQRNDLBUUCD-NSHDSACASA-N -1 3 276.340 1.437 10 0 CDAEHM CC1(C(=O)C[N-]S(=O)(=O)CCCCF)CCCC1 ZINC000625550468 357881443 /nfs/dbraw/zinc/88/14/43/357881443.db2.gz ZJXHHSYHRRLLEQ-UHFFFAOYSA-N -1 3 279.377 1.805 10 0 CDAEHM COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000599975518 358753189 /nfs/dbraw/zinc/75/31/89/358753189.db2.gz SEUDWGNCOGKMQR-ZJUUUORDSA-N -1 3 293.323 1.034 10 0 CDAEHM Cc1ccc(S(=O)(=O)c2ncn(C)c2[S-])cc1 ZINC000100044337 358818973 /nfs/dbraw/zinc/81/89/73/358818973.db2.gz AUJPUQNFDWBFBD-UHFFFAOYSA-N -1 3 268.363 1.850 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2cccc(OC)c2O)c[n-]1 ZINC000345845067 358921555 /nfs/dbraw/zinc/92/15/55/358921555.db2.gz WFTBZURCYBCCIN-UHFFFAOYSA-N -1 3 290.275 1.768 10 0 CDAEHM CC(C)[C@H](C)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104134872 358947027 /nfs/dbraw/zinc/94/70/27/358947027.db2.gz WORADVNQRQTCHZ-QMMMGPOBSA-N -1 3 260.293 1.345 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)c2c[nH]c(=O)cc2C)n1 ZINC000345924444 358956574 /nfs/dbraw/zinc/95/65/74/358956574.db2.gz JMSAHKYAOMNOBI-UHFFFAOYSA-N -1 3 259.265 1.757 10 0 CDAEHM COc1ccc(C(=O)NCC2(CCO)CC2)c([O-])c1 ZINC000157589672 237108116 /nfs/dbraw/zinc/10/81/16/237108116.db2.gz ANKXENUBWWJBIY-UHFFFAOYSA-N -1 3 265.309 1.293 10 0 CDAEHM CCc1ccc(C(=O)N2C[C@H](O)C3(CC3)C2)c([O-])c1 ZINC000336533671 363705634 /nfs/dbraw/zinc/70/56/34/363705634.db2.gz SZDUVQISZGVZCK-ZDUSSCGKSA-N -1 3 261.321 1.552 10 0 CDAEHM COc1nc(NC(=O)C[C@H]2CCC[C@H](C)C2)n[n-]1 ZINC000355631289 359959195 /nfs/dbraw/zinc/95/91/95/359959195.db2.gz OBHQVRYNTUUTSY-IUCAKERBSA-N -1 3 252.318 1.968 10 0 CDAEHM COc1nnc(NC(=O)C[C@H]2CCC[C@H](C)C2)[n-]1 ZINC000355631289 359959199 /nfs/dbraw/zinc/95/91/99/359959199.db2.gz OBHQVRYNTUUTSY-IUCAKERBSA-N -1 3 252.318 1.968 10 0 CDAEHM COc1n[n-]c(NC(=O)C[C@H]2CCC[C@H](C)C2)n1 ZINC000355631289 359959202 /nfs/dbraw/zinc/95/92/02/359959202.db2.gz OBHQVRYNTUUTSY-IUCAKERBSA-N -1 3 252.318 1.968 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2CCn3ccnc3C2)c1 ZINC000062320386 359967278 /nfs/dbraw/zinc/96/72/78/359967278.db2.gz OXIMUWQUNAIYPZ-UHFFFAOYSA-N -1 3 257.293 1.553 10 0 CDAEHM C[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000120468680 360046778 /nfs/dbraw/zinc/04/67/78/360046778.db2.gz INFIEZXAXISICE-BQBZGAKWSA-N -1 3 297.298 1.399 10 0 CDAEHM C[C@H](CCO)CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000089512036 360180795 /nfs/dbraw/zinc/18/07/95/360180795.db2.gz 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HATYDTWWAIXUAR-PWSUYJOCSA-N -1 3 279.336 1.943 10 0 CDAEHM COCCCn1nccc1CN1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000563133119 293284700 /nfs/dbraw/zinc/28/47/00/293284700.db2.gz CXFKCXOOGXLUHY-GXTWGEPZSA-N -1 3 295.383 1.462 10 0 CDAEHM CC1CCC(C)(C[N-]S(=O)(=O)c2ccn(C)n2)CC1 ZINC000564909073 293452837 /nfs/dbraw/zinc/45/28/37/293452837.db2.gz ZUBHUPRHSIEJLV-UHFFFAOYSA-N -1 3 285.413 1.915 10 0 CDAEHM CO[C@H](CS(=O)(=O)[N-]c1cccnc1C)C1CC1 ZINC000565481472 293620188 /nfs/dbraw/zinc/62/01/88/293620188.db2.gz WQHYJCJHJABJFR-GFCCVEGCSA-N -1 3 270.354 1.557 10 0 CDAEHM COc1cc(=NC(=O)[C@@H]2CCC(=O)c3ccccc32)[n-]n1C ZINC000565495976 293625029 /nfs/dbraw/zinc/62/50/29/293625029.db2.gz DZPCOXUIYXJRKK-GFCCVEGCSA-N -1 3 299.330 1.549 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2ccoc2Cl)nc1=N ZINC000570455849 294243055 /nfs/dbraw/zinc/24/30/55/294243055.db2.gz CXIBZKAMCRBTCH-MRVPVSSYSA-N -1 3 295.730 1.451 10 0 CDAEHM CCCn1c(=O)[n-]nc1SCCNC(=O)NC(C)C ZINC000570570341 294263878 /nfs/dbraw/zinc/26/38/78/294263878.db2.gz VODPYWLTDDJDCH-UHFFFAOYSA-N -1 3 287.389 1.193 10 0 CDAEHM NC(=O)[C@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000348247263 295145889 /nfs/dbraw/zinc/14/58/89/295145889.db2.gz QPTUQNBTTZLCNW-CYBMUJFWSA-N -1 3 299.330 1.008 10 0 CDAEHM O=C(N1CCc2ccccc21)N1CCc2nc[n-]c(=O)c2C1 ZINC000269688158 295584166 /nfs/dbraw/zinc/58/41/66/295584166.db2.gz FUUXXKRTJUCZEN-UHFFFAOYSA-N -1 3 296.330 1.723 10 0 CDAEHM Cc1cc2c(s1)n(CCN(C)C)cc(C(=O)[O-])c2=O ZINC000035570356 301457362 /nfs/dbraw/zinc/45/73/62/301457362.db2.gz OCWSAROAMLBWMO-UHFFFAOYSA-N -1 3 280.349 1.631 10 0 CDAEHM Cn1cc(OCc2nc(-c3ccc([O-])cc3)no2)cn1 ZINC000350564630 316177363 /nfs/dbraw/zinc/17/73/63/316177363.db2.gz IASXJLMLIBSSDK-UHFFFAOYSA-N -1 3 272.264 1.755 10 0 CDAEHM Cn1nccc1CCc1nc(-c2ccc([O-])cc2)no1 ZINC000350570960 316179285 /nfs/dbraw/zinc/17/92/85/316179285.db2.gz WEEQECQPECXKPP-UHFFFAOYSA-N -1 3 270.292 1.961 10 0 CDAEHM CCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@@H]1CCOC1 ZINC000576001182 317057042 /nfs/dbraw/zinc/05/70/42/317057042.db2.gz XGCXBDLZSYJOJU-SNVBAGLBSA-N -1 3 277.324 1.311 10 0 CDAEHM COc1cc(=NC(=O)[C@H]2CCCc3cccnc32)[n-]n1C ZINC000579791122 324278990 /nfs/dbraw/zinc/27/89/90/324278990.db2.gz RCMZKHAAGPLZFW-NSHDSACASA-N -1 3 286.335 1.304 10 0 CDAEHM O=C(NCCOCC1CCC1)NCc1ncccc1[O-] ZINC000582394799 324966631 /nfs/dbraw/zinc/96/66/31/324966631.db2.gz BPRNRMKIBLCHHP-UHFFFAOYSA-N -1 3 279.340 1.403 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CCC(c2c[nH]cn2)CC1 ZINC000584241827 327125436 /nfs/dbraw/zinc/12/54/36/327125436.db2.gz WWMHXBPHRYOGHR-UHFFFAOYSA-N -1 3 286.335 1.459 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CCC(c2cnc[nH]2)CC1 ZINC000584241827 327125437 /nfs/dbraw/zinc/12/54/37/327125437.db2.gz WWMHXBPHRYOGHR-UHFFFAOYSA-N -1 3 286.335 1.459 10 0 CDAEHM O=C(NCC1=CCOCC1)c1cc2c(cc1[O-])OCO2 ZINC000452413174 1159647692 /nfs/dbraw/zinc/64/76/92/1159647692.db2.gz WMYSYOWBKBCFNM-UHFFFAOYSA-N -1 3 277.276 1.197 10 0 CDAEHM C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1cccnc1F ZINC000401937398 1159904873 /nfs/dbraw/zinc/90/48/73/1159904873.db2.gz CSWDCFOVSTYGMK-HTQZYQBOSA-N -1 3 276.358 1.393 10 0 CDAEHM Cc1oc(C(=O)[O-])cc1CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398793716 482251294 /nfs/dbraw/zinc/25/12/94/482251294.db2.gz QOCDQOXJZIGZBU-UHTWSYAYSA-N -1 3 279.336 1.879 10 0 CDAEHM Cc1ccc([O-])c(CN(CCOCCO)C2CCC2)n1 ZINC000668575060 482480291 /nfs/dbraw/zinc/48/02/91/482480291.db2.gz GDXZYKHPYQFLPU-UHFFFAOYSA-N -1 3 280.368 1.459 10 0 CDAEHM C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1cc(=O)c([O-])co1 ZINC000671710723 482522686 /nfs/dbraw/zinc/52/26/86/482522686.db2.gz LLMPXEUHAHDTET-HQJQHLMTSA-N -1 3 293.241 1.497 10 0 CDAEHM CN(CCC(C)(C)C)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662213100 482619443 /nfs/dbraw/zinc/61/94/43/482619443.db2.gz SJNSWTFJCZXUID-JTQLQIEISA-N -1 3 256.346 1.040 10 0 CDAEHM CN(C)c1nc(C(=O)N(C)C(C2CC2)C2CC2)cc(=O)[n-]1 ZINC000680950161 482634939 /nfs/dbraw/zinc/63/49/39/482634939.db2.gz AXJDZAAKIRQTPP-UHFFFAOYSA-N -1 3 290.367 1.509 10 0 CDAEHM C[C@@H](CNC(=O)c1csc(=O)[n-]1)c1ccncc1 ZINC000684287264 482740534 /nfs/dbraw/zinc/74/05/34/482740534.db2.gz JMRCPVUKUALGKI-QMMMGPOBSA-N -1 3 263.322 1.777 10 0 CDAEHM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CNCc2ccccc21 ZINC000087618916 482883447 /nfs/dbraw/zinc/88/34/47/482883447.db2.gz AKVMGRCRSPENDV-OLZOCXBDSA-N -1 3 276.336 1.195 10 0 CDAEHM O=c1cc(-c2noc(Cc3cn4c(n3)CCCC4)n2)nc[n-]1 ZINC000351451392 482925895 /nfs/dbraw/zinc/92/58/95/482925895.db2.gz USKONCCSXITHBT-UHFFFAOYSA-N -1 3 298.306 1.356 10 0 CDAEHM Cc1cnc(C(=O)N[C@@H]2CCN(CC3CC3)C2)c([O-])c1 ZINC000681726548 482976621 /nfs/dbraw/zinc/97/66/21/482976621.db2.gz AMWDZXUIJQUXJU-GFCCVEGCSA-N -1 3 275.352 1.310 10 0 CDAEHM O=C(CNC(=O)c1cccc([O-])c1)N1CC2(CC(F)C2)C1 ZINC000681738760 482982599 /nfs/dbraw/zinc/98/25/99/482982599.db2.gz MWCOLUANHWVBOT-UHFFFAOYSA-N -1 3 292.310 1.083 10 0 CDAEHM O=C(NC1(C(F)F)CC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000669754321 483017216 /nfs/dbraw/zinc/01/72/16/483017216.db2.gz LRZNIBXGKBYUQW-UHFFFAOYSA-N -1 3 280.230 1.098 10 0 CDAEHM C[C@@H]1CCC[C@@H](NC(=O)CN(C)CCCC(=O)[O-])[C@H]1C ZINC000251898879 483193275 /nfs/dbraw/zinc/19/32/75/483193275.db2.gz SIZGZWKKHOQAQZ-FRRDWIJNSA-N -1 3 284.400 1.724 10 0 CDAEHM Cc1cc(C(=O)N2CCc3c(nc[n-]c3=O)C2)c(C)[nH]1 ZINC000680224918 483285964 /nfs/dbraw/zinc/28/59/64/483285964.db2.gz OGCLSTMHNBLAEV-UHFFFAOYSA-N -1 3 272.308 1.326 10 0 CDAEHM COc1nnc([N-]C(=O)c2cc(F)ccc2OC)s1 ZINC000682680182 483326848 /nfs/dbraw/zinc/32/68/48/483326848.db2.gz FBHHYPJUGVGCKD-UHFFFAOYSA-N -1 3 283.284 1.947 10 0 CDAEHM COc1nc(NC(=O)c2ncoc2-c2ccccc2)n[n-]1 ZINC000679319742 483337196 /nfs/dbraw/zinc/33/71/96/483337196.db2.gz CPNQJOPAIOCULU-UHFFFAOYSA-N -1 3 285.263 1.721 10 0 CDAEHM CN(C)c1nc(C(=O)N2CC[C@@H]2c2ccccc2)cc(=O)[n-]1 ZINC000683404801 483511157 /nfs/dbraw/zinc/51/11/57/483511157.db2.gz YCVGFBLIXIYKIU-CYBMUJFWSA-N -1 3 298.346 1.835 10 0 CDAEHM CCCNC(=O)[C@H](C)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925431 519890845 /nfs/dbraw/zinc/89/08/45/519890845.db2.gz WQXGIVYEGFSGIT-NWDGAFQWSA-N -1 3 270.373 1.620 10 0 CDAEHM CC(C)(C)[C@@H](NC(=O)[C@H](CN)c1ccccc1)C(=O)[O-] ZINC000061612487 518927336 /nfs/dbraw/zinc/92/73/36/518927336.db2.gz RLWHLCQCEPRUFD-NEPJUHHUSA-N -1 3 278.352 1.344 10 0 CDAEHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000111600019 519694853 /nfs/dbraw/zinc/69/48/53/519694853.db2.gz WCDXDZCQBHCWPO-VXGBXAGGSA-N -1 3 295.383 1.259 10 0 CDAEHM CC(C)C[C@@H](CN(C)C)NC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000049560963 519775028 /nfs/dbraw/zinc/77/50/28/519775028.db2.gz HCJZGNPXSATGDK-QWHCGFSZSA-N -1 3 299.415 1.611 10 0 CDAEHM CC(C)C[C@@H](CN(C)C)NC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000049560836 519775383 /nfs/dbraw/zinc/77/53/83/519775383.db2.gz COFVUZMSKBIRRQ-RYUDHWBXSA-N -1 3 287.404 1.371 10 0 CDAEHM CC(C)[C@H](NC(=O)N[C@H](C)CN1CCCCC1)C(=O)[O-] ZINC000049502748 519819247 /nfs/dbraw/zinc/81/92/47/519819247.db2.gz DHXPMTMZQJLDDM-NEPJUHHUSA-N -1 3 285.388 1.269 10 0 CDAEHM CCNC(C)(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000061297317 519907441 /nfs/dbraw/zinc/90/74/41/519907441.db2.gz MFSWUHZVEAUERQ-UHFFFAOYSA-N -1 3 250.298 1.711 10 0 CDAEHM CCCCCN(C)C(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000061145660 520149458 /nfs/dbraw/zinc/14/94/58/520149458.db2.gz ICVSOKIDZDXSCU-UHFFFAOYSA-N -1 3 285.388 1.321 10 0 CDAEHM CCN(CC(=O)N(CC)C1=CCCC1)C[C@@H](C)C(=O)[O-] ZINC000061220638 520306074 /nfs/dbraw/zinc/30/60/74/520306074.db2.gz HVQWRIPTYFMXAZ-GFCCVEGCSA-N -1 3 282.384 1.945 10 0 CDAEHM CCN(C[C@H](C)C(=O)[O-])[C@@H](C)C(=O)NCC(C)C ZINC000061218579 521246898 /nfs/dbraw/zinc/24/68/98/521246898.db2.gz SKKQVIZIJBRESJ-QWRGUYRKSA-N -1 3 258.362 1.190 10 0 CDAEHM CN(C)c1c(Cl)cccc1NC(=O)c1nnc(N)[n-]1 ZINC000055165271 522113008 /nfs/dbraw/zinc/11/30/08/522113008.db2.gz KNGGTAMTOKGQSM-UHFFFAOYSA-N -1 3 280.719 1.359 10 0 CDAEHM CN(C)c1c(Cl)cccc1NC(=O)c1nc(N)n[n-]1 ZINC000055165271 522113013 /nfs/dbraw/zinc/11/30/13/522113013.db2.gz KNGGTAMTOKGQSM-UHFFFAOYSA-N -1 3 280.719 1.359 10 0 CDAEHM CN(C)c1c(Cl)cccc1NC(=O)c1n[n-]c(N)n1 ZINC000055165271 522113022 /nfs/dbraw/zinc/11/30/22/522113022.db2.gz KNGGTAMTOKGQSM-UHFFFAOYSA-N -1 3 280.719 1.359 10 0 CDAEHM COC[C@@H](C)OC[C@@](NC1CC1)(C(=O)[O-])c1ccccc1 ZINC000069510426 522258130 /nfs/dbraw/zinc/25/81/30/522258130.db2.gz WYKNLRLMBNCOES-WBMJQRKESA-N -1 3 293.363 1.770 10 0 CDAEHM CC[C@@H](C)[C@H](N)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000050927468 522363704 /nfs/dbraw/zinc/36/37/04/522363704.db2.gz ZDMOKZFJEVERNU-MFKMUULPSA-N -1 3 270.373 1.463 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000187281512 523997111 /nfs/dbraw/zinc/99/71/11/523997111.db2.gz BIBJWHARUFFXHJ-LBPRGKRZSA-N -1 3 292.379 1.093 10 0 CDAEHM Cc1cc(C)n2cc(CN[C@H](C(=O)[O-])C3CC3)nc2n1 ZINC000054523055 524564713 /nfs/dbraw/zinc/56/47/13/524564713.db2.gz PQTGPJLNRYESJQ-LBPRGKRZSA-N -1 3 274.324 1.299 10 0 CDAEHM Cc1ccc(Cc2noc(-c3nc(N)n[n-]3)n2)cc1 ZINC000055169984 524698367 /nfs/dbraw/zinc/69/83/67/524698367.db2.gz WFGBSBVNSWDCRV-UHFFFAOYSA-N -1 3 256.269 1.336 10 0 CDAEHM Cc1ccc(Cc2noc(-c3nnc(N)[n-]3)n2)cc1 ZINC000055169984 524698372 /nfs/dbraw/zinc/69/83/72/524698372.db2.gz WFGBSBVNSWDCRV-UHFFFAOYSA-N -1 3 256.269 1.336 10 0 CDAEHM Cc1ccc(Cc2noc(-c3n[n-]c(N)n3)n2)cc1 ZINC000055169984 524698381 /nfs/dbraw/zinc/69/83/81/524698381.db2.gz WFGBSBVNSWDCRV-UHFFFAOYSA-N -1 3 256.269 1.336 10 0 CDAEHM C[C@H]1CNC[C@H](C)N1C(=O)c1ccc([O-])c(Cl)c1 ZINC000069132821 524698513 /nfs/dbraw/zinc/69/85/13/524698513.db2.gz TYFJGDKRXINTSJ-IUCAKERBSA-N -1 3 268.744 1.868 10 0 CDAEHM C[C@H]1CNC[C@H](C)N1Cc1nc(=O)c2sccc2[n-]1 ZINC000069134704 524699167 /nfs/dbraw/zinc/69/91/67/524699167.db2.gz KCZGCBWXVHHHPK-IUCAKERBSA-N -1 3 278.381 1.167 10 0 CDAEHM Cc1ccc(OCCN2CCN([C@@H](C)C(=O)[O-])CC2)cc1 ZINC000051660143 525418962 /nfs/dbraw/zinc/41/89/62/525418962.db2.gz OGNGGWAHNHNPNT-AWEZNQCLSA-N -1 3 292.379 1.465 10 0 CDAEHM Cc1ccc(-c2noc(-c3nc(N)n[n-]3)n2)cc1F ZINC000055169902 525873379 /nfs/dbraw/zinc/87/33/79/525873379.db2.gz LVTOWZIHBVACOP-UHFFFAOYSA-N -1 3 260.232 1.551 10 0 CDAEHM Cc1ccc(-c2noc(-c3nnc(N)[n-]3)n2)cc1F ZINC000055169902 525873394 /nfs/dbraw/zinc/87/33/94/525873394.db2.gz LVTOWZIHBVACOP-UHFFFAOYSA-N -1 3 260.232 1.551 10 0 CDAEHM Cc1ccc(-c2noc(-c3n[n-]c(N)n3)n2)cc1F ZINC000055169902 525873397 /nfs/dbraw/zinc/87/33/97/525873397.db2.gz LVTOWZIHBVACOP-UHFFFAOYSA-N -1 3 260.232 1.551 10 0 CDAEHM O=C([O-])[C@H]1CCCC[C@H]1N1CCN(CC(F)(F)F)CC1 ZINC000062757199 526321756 /nfs/dbraw/zinc/32/17/56/526321756.db2.gz RENLDRPKFCJIDZ-WDEREUQCSA-N -1 3 294.317 1.810 10 0 CDAEHM O=C([O-])c1cc2c(nc1N[C@H]1CCN(C3CC3)C1)CCC2 ZINC000054530967 526357556 /nfs/dbraw/zinc/35/75/56/526357556.db2.gz ZYRUUNVQSXIVLE-NSHDSACASA-N -1 3 287.363 1.917 10 0 CDAEHM O=C([O-])c1ccc([S@@](=O)CCCN2CCCC2)o1 ZINC000069363299 526383639 /nfs/dbraw/zinc/38/36/39/526383639.db2.gz YPMADGJEOLGANL-GOSISDBHSA-N -1 3 271.338 1.571 10 0 CDAEHM O=C1[N-]C(=O)c2cc(N3[C@@H]4CC[C@H]3CC(=O)C4)ccc21 ZINC000054603142 527055294 /nfs/dbraw/zinc/05/52/94/527055294.db2.gz BGYDVXSJUZRDJO-DTORHVGOSA-N -1 3 270.288 1.271 10 0 CDAEHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)Cc1ccon1 ZINC000305219590 527836644 /nfs/dbraw/zinc/83/66/44/527836644.db2.gz UWESLJRRUIFHDQ-GFCCVEGCSA-N -1 3 290.385 1.281 10 0 CDAEHM CCCCc1nnc([N-]C(=O)c2cnn(C)c2OC)s1 ZINC000411262210 529053706 /nfs/dbraw/zinc/05/37/06/529053706.db2.gz QWWWPANWPFUPLG-UHFFFAOYSA-N -1 3 295.368 1.875 10 0 CDAEHM CCC[C@H](NC(=O)c1c[n-]nn1)C(=O)OC(C)(C)C ZINC000184975676 535694215 /nfs/dbraw/zinc/69/42/15/535694215.db2.gz DOYIXAUTMPVUPC-QMMMGPOBSA-N -1 3 268.317 1.045 10 0 CDAEHM CCC[C@H](NC(=O)c1cnn[n-]1)C(=O)OC(C)(C)C ZINC000184975676 535694222 /nfs/dbraw/zinc/69/42/22/535694222.db2.gz DOYIXAUTMPVUPC-QMMMGPOBSA-N -1 3 268.317 1.045 10 0 CDAEHM CCC[C@H](NC(=O)c1cn[n-]n1)C(=O)OC(C)(C)C ZINC000184975676 535694227 /nfs/dbraw/zinc/69/42/27/535694227.db2.gz DOYIXAUTMPVUPC-QMMMGPOBSA-N -1 3 268.317 1.045 10 0 CDAEHM CO[C@H]1CC[C@@H](NC(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000412288710 536763258 /nfs/dbraw/zinc/76/32/58/536763258.db2.gz ZUANBFAARRZLGY-NEPJUHHUSA-N -1 3 277.320 1.892 10 0 CDAEHM C=C/C(C)=C/CC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000651977461 538404222 /nfs/dbraw/zinc/40/42/22/538404222.db2.gz LRZXYRVYWIXMCY-HUYFXPKMSA-N -1 3 275.356 1.414 10 0 CDAEHM C=C/C(C)=C\CC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000651977460 538404474 /nfs/dbraw/zinc/40/44/74/538404474.db2.gz LRZXYRVYWIXMCY-BRNRAETOSA-N -1 3 275.356 1.414 10 0 CDAEHM C[C@@H](CC(C)(C)C)C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000651977736 538414324 /nfs/dbraw/zinc/41/43/24/538414324.db2.gz ZANVELOOEVTRME-QWRGUYRKSA-N -1 3 293.415 1.963 10 0 CDAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc2ccccc2c1 ZINC000732265226 575084687 /nfs/dbraw/zinc/08/46/87/575084687.db2.gz PZUPJVBUEPGBRH-UHFFFAOYSA-N -1 3 283.287 1.330 10 0 CDAEHM C[C@H](CCO)SCC(=O)N=c1cc[n-]n1[C@@H](C)C1CC1 ZINC000742454084 576603899 /nfs/dbraw/zinc/60/38/99/576603899.db2.gz SVQLWKZALXAWIC-MNOVXSKESA-N -1 3 297.424 1.719 10 0 CDAEHM CC[S@@](=O)CCNC(=O)c1ccc(C)c(C)c1[O-] ZINC000735116312 575431345 /nfs/dbraw/zinc/43/13/45/575431345.db2.gz HJQBMMBRPCXDQT-GOSISDBHSA-N -1 3 269.366 1.507 10 0 CDAEHM CCc1onc(C)c1C(=O)OCc1cc(=O)c([O-])co1 ZINC000736734230 575731691 /nfs/dbraw/zinc/73/16/91/575731691.db2.gz BIMRTTKNIFCBCF-UHFFFAOYSA-N -1 3 279.248 1.561 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2ncc(Cl)n2C)o1 ZINC000773293164 575798945 /nfs/dbraw/zinc/79/89/45/575798945.db2.gz RSAPZKUTEPCUAG-UHFFFAOYSA-N -1 3 289.744 1.453 10 0 CDAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)OCc1ccc(C(F)F)cc1 ZINC000764569965 575921355 /nfs/dbraw/zinc/92/13/55/575921355.db2.gz JMIQFPZMOVJXLQ-VIFPVBQESA-N -1 3 298.245 1.266 10 0 CDAEHM CCCNC(=O)C1CCN(Cc2nc(C)cc(=O)[n-]2)CC1 ZINC000761863347 576599776 /nfs/dbraw/zinc/59/97/76/576599776.db2.gz FYQHZDMGXUXXES-UHFFFAOYSA-N -1 3 292.383 1.229 10 0 CDAEHM C[C@H]1CCS(=O)(=O)CCN1C(=O)c1cccc([O-])c1 ZINC000762506995 576652343 /nfs/dbraw/zinc/65/23/43/576652343.db2.gz IUTFZQHOIZMHAT-JTQLQIEISA-N -1 3 283.349 1.041 10 0 CDAEHM COC[C@H](NCc1nc(C)cc(=O)[n-]1)c1ccco1 ZINC000754340163 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1.742 10 0 CDAEHM CCc1cc(C(=O)N2CCO[C@@]3(CCOC3)C2)ccc1[O-] ZINC000291691756 529514103 /nfs/dbraw/zinc/51/41/03/529514103.db2.gz OCIMBLXROVOOEG-INIZCTEOSA-N -1 3 291.347 1.586 10 0 CDAEHM COC[C@@]1(C(=O)[O-])CCN(Cc2ccc(F)c(F)c2)C1 ZINC000313615014 412498405 /nfs/dbraw/zinc/49/84/05/412498405.db2.gz DQAWQGACCAYNGU-CQSZACIVSA-N -1 3 285.290 1.888 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)CCC(C)(C)C(C)=O)[n-]1 ZINC000619447219 349718603 /nfs/dbraw/zinc/71/86/03/349718603.db2.gz PRVTYDYDIMPZLV-UHFFFAOYSA-N -1 3 295.339 1.920 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)CCC(C)(C)C(C)=O)c[n-]1 ZINC000619447219 349718607 /nfs/dbraw/zinc/71/86/07/349718607.db2.gz PRVTYDYDIMPZLV-UHFFFAOYSA-N -1 3 295.339 1.920 10 0 CDAEHM CC(C)Cn1ccnc1[N-]C(=O)C(=O)N1CCC[C@@H](C)C1 ZINC000274608265 365733717 /nfs/dbraw/zinc/73/37/17/365733717.db2.gz NANUUUBLDFRSLI-GFCCVEGCSA-N -1 3 292.383 1.736 10 0 CDAEHM CC(C)O[C@@]1(CS(=O)(=O)[N-]CC(C)(C)F)CCOC1 ZINC000632608537 362172539 /nfs/dbraw/zinc/17/25/39/362172539.db2.gz 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/nfs/dbraw/zinc/21/25/01/344212501.db2.gz DJQZPYLXCXVMOO-QMMMGPOBSA-N -1 3 285.369 1.426 10 0 CDAEHM CCc1ccc(C(=O)NC[C@@H](OC)[C@@H]2CCOC2)c([O-])c1 ZINC000617133718 344917979 /nfs/dbraw/zinc/91/79/79/344917979.db2.gz YZEHTKZZZLXAPB-IUODEOHRSA-N -1 3 293.363 1.736 10 0 CDAEHM CN1CC[C@H](NC(=O)c2cc(=O)[n-]cn2)[C@H]1c1ccccc1 ZINC000626286025 345213985 /nfs/dbraw/zinc/21/39/85/345213985.db2.gz LWMLWAUQXYWVPI-SWLSCSKDSA-N -1 3 298.346 1.357 10 0 CDAEHM C[C@@H]1CC[C@]2(CCN(C(=O)c3cc(=O)[n-]cn3)C2)C1 ZINC000626415384 345415795 /nfs/dbraw/zinc/41/57/95/345415795.db2.gz YBXOMKWOHQIWMG-YGRLFVJLSA-N -1 3 261.325 1.835 10 0 CDAEHM Cc1ccc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)c([O-])c1 ZINC000617441630 345537874 /nfs/dbraw/zinc/53/78/74/345537874.db2.gz CBHDOAFFTDPSQD-GXSJLCMTSA-N -1 3 272.308 1.728 10 0 CDAEHM Cc1cccc([O-])c1C(=O)NCCCn1ccnn1 ZINC000626434288 345770349 /nfs/dbraw/zinc/77/03/49/345770349.db2.gz WEWASWAOKXMVLW-UHFFFAOYSA-N -1 3 260.297 1.112 10 0 CDAEHM 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347559943 /nfs/dbraw/zinc/55/99/43/347559943.db2.gz LRAGIVGOBYOAEY-SNVBAGLBSA-N -1 3 260.297 1.111 10 0 CDAEHM COC[C@H](CCO)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000273307789 192107108 /nfs/dbraw/zinc/10/71/08/192107108.db2.gz GYWQRQJARPDYQN-LBPRGKRZSA-N -1 3 293.363 1.398 10 0 CDAEHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1(CO)CC1 ZINC000617909459 347770556 /nfs/dbraw/zinc/77/05/56/347770556.db2.gz AEVZMQVKZPTZHI-SNVBAGLBSA-N -1 3 286.331 1.419 10 0 CDAEHM CO[C@@H](C(=O)Nc1nc(C)ccc1[O-])C1CCC1 ZINC000614164585 348006918 /nfs/dbraw/zinc/00/69/18/348006918.db2.gz PXVVBYGTZOANNB-LLVKDONJSA-N -1 3 250.298 1.849 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CC[C@@H]1C(F)(F)F ZINC000615028455 348309940 /nfs/dbraw/zinc/30/99/40/348309940.db2.gz BRMFGFRZOOPIJO-SECBINFHSA-N -1 3 261.199 1.875 10 0 CDAEHM CO[C@H](CC[N-]S(=O)(=O)c1ccoc1)C(F)(F)F ZINC000352141714 362896477 /nfs/dbraw/zinc/89/64/77/362896477.db2.gz FLXZRDHOJCARBR-MRVPVSSYSA-N -1 3 287.259 1.525 10 0 CDAEHM Cc1cc(C)[n-]c(=NNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)n1 ZINC000064458189 348941749 /nfs/dbraw/zinc/94/17/49/348941749.db2.gz WJTNPSYVKIQHAP-NWDGAFQWSA-N -1 3 286.339 1.074 10 0 CDAEHM CC(C)c1ccc(C(=O)N2CCNC(=O)CC2)c([O-])c1 ZINC000068465448 349067543 /nfs/dbraw/zinc/06/75/43/349067543.db2.gz ZZYCQJILRVLNSZ-UHFFFAOYSA-N -1 3 276.336 1.478 10 0 CDAEHM COCC1(C(=O)NCc2ccc([O-])c3ncccc23)CC1 ZINC000616024258 349251698 /nfs/dbraw/zinc/25/16/98/349251698.db2.gz ZROHYDOZESXFOW-UHFFFAOYSA-N -1 3 286.331 1.983 10 0 CDAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCC1(C2CCC2)CCC1 ZINC000616181497 349332523 /nfs/dbraw/zinc/33/25/23/349332523.db2.gz SUMAFIAFZNPKGT-NSHDSACASA-N -1 3 293.367 1.061 10 0 CDAEHM COc1ccc(C(=O)N2CC[C@@H]3COC[C@H]3C2)c([O-])c1 ZINC000620154617 350071022 /nfs/dbraw/zinc/07/10/22/350071022.db2.gz SVVQNGPRWZNTJQ-GHMZBOCLSA-N -1 3 277.320 1.509 10 0 CDAEHM COc1nnc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)[n-]1 ZINC000271323030 191073301 /nfs/dbraw/zinc/07/33/01/191073301.db2.gz XRNNYFHGPFGREQ-ZJUUUORDSA-N -1 3 276.271 1.695 10 0 CDAEHM COc1nc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)n[n-]1 ZINC000271323030 191073302 /nfs/dbraw/zinc/07/33/02/191073302.db2.gz XRNNYFHGPFGREQ-ZJUUUORDSA-N -1 3 276.271 1.695 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)n1 ZINC000271323030 191073305 /nfs/dbraw/zinc/07/33/05/191073305.db2.gz XRNNYFHGPFGREQ-ZJUUUORDSA-N -1 3 276.271 1.695 10 0 CDAEHM Cc1cnc(C(=O)N2CCN[C@H](C(C)C)C2)c([O-])c1 ZINC000621157485 350465447 /nfs/dbraw/zinc/46/54/47/350465447.db2.gz WRVUKKSDJLJQBP-NSHDSACASA-N -1 3 263.341 1.166 10 0 CDAEHM Cn1ncc(Cl)c1S(=O)(=O)[N-]CC[C@H]1CC1(F)F ZINC000621304787 350533099 /nfs/dbraw/zinc/53/30/99/350533099.db2.gz HZMOFYYZBPIMBC-LURJTMIESA-N -1 3 299.730 1.397 10 0 CDAEHM O=C(N[C@@H]1CNC(=O)C1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621945200 350880733 /nfs/dbraw/zinc/88/07/33/350880733.db2.gz GQVPUOWJWHZXCO-QMMMGPOBSA-N -1 3 288.225 1.029 10 0 CDAEHM O=C(c1ccccc1[O-])N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000622083013 350979540 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ZINC000293921433 358488720 /nfs/dbraw/zinc/48/87/20/358488720.db2.gz MONZYUKIANRRJG-LBPRGKRZSA-N -1 3 298.408 1.352 10 0 CDAEHM O=C([N-]c1nncn1Cc1ccccc1)[C@H](O)C1CCC1 ZINC000570158899 363394510 /nfs/dbraw/zinc/39/45/10/363394510.db2.gz ZHMUVYPTBIWACB-CYBMUJFWSA-N -1 3 286.335 1.426 10 0 CDAEHM CC[C@H](NC(=O)c1cccc([O-])c1)[C@@H](O)C(F)(F)F ZINC000272994386 192012080 /nfs/dbraw/zinc/01/20/80/192012080.db2.gz NNLDMPQZJPJYJL-VHSXEESVSA-N -1 3 277.242 1.824 10 0 CDAEHM C[C@@]1(CNC(=O)c2cccc3nn[n-]c32)CC1(F)F ZINC000618597016 356319284 /nfs/dbraw/zinc/31/92/84/356319284.db2.gz BCPXSAFLRMCQIK-NSHDSACASA-N -1 3 266.251 1.733 10 0 CDAEHM C[C@@]1(CNC(=O)c2cccc3[n-]nnc32)CC1(F)F ZINC000618597016 356319287 /nfs/dbraw/zinc/31/92/87/356319287.db2.gz BCPXSAFLRMCQIK-NSHDSACASA-N -1 3 266.251 1.733 10 0 CDAEHM C[C@@]1(CNC(=O)c2cccc3n[n-]nc32)CC1(F)F ZINC000618597016 356319289 /nfs/dbraw/zinc/31/92/89/356319289.db2.gz BCPXSAFLRMCQIK-NSHDSACASA-N -1 3 266.251 1.733 10 0 CDAEHM CC1(C)[C@@H]2C(=O)[N-]N(c3ccnc(C(F)(F)F)c3)C(=O)[C@@H]21 ZINC000634618031 356580140 /nfs/dbraw/zinc/58/01/40/356580140.db2.gz DTKFDUCGOGWLIL-DTWKUNHWSA-N -1 3 299.252 1.750 10 0 CDAEHM CN1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000082319770 538809103 /nfs/dbraw/zinc/80/91/03/538809103.db2.gz DPLSWFDHDVBUKW-UHFFFAOYSA-N -1 3 270.332 1.933 10 0 CDAEHM C[C@@H](C1=Cc2ccccc2S1=O)N([O-])C(N)=O ZINC000065749696 357550337 /nfs/dbraw/zinc/55/03/37/357550337.db2.gz KWEAXQJUQDQMNY-ISJKBYAMSA-N -1 3 252.295 1.307 10 0 endogenous,world CDAEHM CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000407991457 357730688 /nfs/dbraw/zinc/73/06/88/357730688.db2.gz OZOZFNISKIWUJE-ZJUUUORDSA-N -1 3 278.356 1.651 10 0 CDAEHM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cc(F)cc2nn[n-]c21 ZINC000558641112 357846231 /nfs/dbraw/zinc/84/62/31/357846231.db2.gz NNXPFKVTLQIDGL-AKZRSSKFSA-N -1 3 260.272 1.625 10 0 CDAEHM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cc(F)cc2[n-]nnc21 ZINC000558641112 357846234 /nfs/dbraw/zinc/84/62/34/357846234.db2.gz NNXPFKVTLQIDGL-AKZRSSKFSA-N -1 3 260.272 1.625 10 0 CDAEHM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cc(F)cc2n[n-]nc21 ZINC000558641112 357846237 /nfs/dbraw/zinc/84/62/37/357846237.db2.gz NNXPFKVTLQIDGL-AKZRSSKFSA-N -1 3 260.272 1.625 10 0 CDAEHM O=S(=O)(CC(F)(F)F)[N-][C@@H]1CCN2CCCC[C@H]12 ZINC000335892105 358004779 /nfs/dbraw/zinc/00/47/79/358004779.db2.gz RGFUBWDWNDCQAX-RKDXNWHRSA-N -1 3 286.319 1.095 10 0 CDAEHM CN(C(=O)c1cc(F)c[n-]c1=O)[C@@H]1CCCCN(C)C1=O ZINC000634736066 358090230 /nfs/dbraw/zinc/09/02/30/358090230.db2.gz YOTULRSBVFZVGU-LLVKDONJSA-N -1 3 295.314 1.009 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](CO)c2ccccc2)n1 ZINC000192723969 358230621 /nfs/dbraw/zinc/23/06/21/358230621.db2.gz KGBAIKFJULKNGO-AAEUAGOBSA-N -1 3 273.336 1.875 10 0 CDAEHM Cc1cnc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c([O-])c1 ZINC000408225078 358445259 /nfs/dbraw/zinc/44/52/59/358445259.db2.gz RUOKKQSMLNWFHP-MNOVXSKESA-N -1 3 275.352 1.451 10 0 CDAEHM Cc1cnc(C(=O)N2CCN(C(C)C)CC2)c([O-])c1 ZINC000408223389 358438156 /nfs/dbraw/zinc/43/81/56/358438156.db2.gz JFQLXDVHGWFQTF-UHFFFAOYSA-N -1 3 263.341 1.262 10 0 CDAEHM Cc1cnc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)c([O-])c1 ZINC000408222667 358440519 /nfs/dbraw/zinc/44/05/19/358440519.db2.gz FAKXUKPVCOLSHJ-SNVBAGLBSA-N -1 3 287.323 1.581 10 0 CDAEHM CC[C@@H](CS(=O)(=O)[N-]Cc1ccc(Cl)o1)OC ZINC000643200741 358678976 /nfs/dbraw/zinc/67/89/76/358678976.db2.gz ZDYPNDUZICVOIC-QMMMGPOBSA-N -1 3 281.761 1.777 10 0 CDAEHM NC1(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CCCCC1 ZINC000054302845 358712785 /nfs/dbraw/zinc/71/27/85/358712785.db2.gz DDNWUXUAPJJNOB-NSHDSACASA-N -1 3 268.357 1.361 10 0 CDAEHM COCCCCCNC(=O)c1cccc(OC)c1[O-] ZINC000121816616 358964876 /nfs/dbraw/zinc/96/48/76/358964876.db2.gz NBPQKYQFYOILNL-UHFFFAOYSA-N -1 3 267.325 1.947 10 0 CDAEHM Cc1cccc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c1[O-] ZINC000042439104 358945000 /nfs/dbraw/zinc/94/50/00/358945000.db2.gz CCBPMMOZPKGENV-WDEREUQCSA-N -1 3 276.336 1.427 10 0 CDAEHM Cc1ccc(C(=O)N2CCN(C3CC3)CC2)c([O-])c1 ZINC000048995824 359239811 /nfs/dbraw/zinc/23/98/11/359239811.db2.gz KQSIWJLHPHOQEM-UHFFFAOYSA-N -1 3 260.337 1.621 10 0 CDAEHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1sccc1F ZINC000347297811 359250770 /nfs/dbraw/zinc/25/07/70/359250770.db2.gz DQWPVTBOFMKBSG-UHFFFAOYSA-N -1 3 294.233 1.954 10 0 CDAEHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1sccc1F ZINC000347297811 359250772 /nfs/dbraw/zinc/25/07/72/359250772.db2.gz DQWPVTBOFMKBSG-UHFFFAOYSA-N -1 3 294.233 1.954 10 0 CDAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1sccc1F ZINC000347297811 359250774 /nfs/dbraw/zinc/25/07/74/359250774.db2.gz DQWPVTBOFMKBSG-UHFFFAOYSA-N -1 3 294.233 1.954 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCO[C@H](C)C2)o1 ZINC000336480392 363623082 /nfs/dbraw/zinc/62/30/82/363623082.db2.gz CSHQPBOHRUMHBP-MNOVXSKESA-N -1 3 273.354 1.681 10 0 CDAEHM Cc1cnc(C(=O)N2CCN3CCCC[C@H]3C2)c([O-])c1 ZINC000408222939 359507484 /nfs/dbraw/zinc/50/74/84/359507484.db2.gz GKUJWXSBTPZJMI-LBPRGKRZSA-N -1 3 275.352 1.406 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000408406855 359739507 /nfs/dbraw/zinc/73/95/07/359739507.db2.gz JIGBTPAFSCVVOZ-NFAWXSAZSA-N -1 3 291.347 1.394 10 0 CDAEHM Cc1ocnc1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000356799086 366558163 /nfs/dbraw/zinc/55/81/63/366558163.db2.gz RRPFCKAGLFWSGW-UHFFFAOYSA-N -1 3 283.287 1.755 10 0 CDAEHM CC[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1nccs1 ZINC000348226491 359896983 /nfs/dbraw/zinc/89/69/83/359896983.db2.gz CDVMVTBMNIKORG-MRVPVSSYSA-N -1 3 260.326 1.746 10 0 CDAEHM COC[C@@H](C)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119799349 359956947 /nfs/dbraw/zinc/95/69/47/359956947.db2.gz METKOURFIUSLDW-MRVPVSSYSA-N -1 3 263.301 1.031 10 0 CDAEHM COC[C@@H](C)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119799349 359956948 /nfs/dbraw/zinc/95/69/48/359956948.db2.gz METKOURFIUSLDW-MRVPVSSYSA-N -1 3 263.301 1.031 10 0 CDAEHM Cn1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000335464013 360216465 /nfs/dbraw/zinc/21/64/65/360216465.db2.gz UGFAUSRWQCZHAS-VXGBXAGGSA-N -1 3 277.349 1.255 10 0 CDAEHM COc1cc(C(=O)N[C@@H]2COCC2(C)C)cc(OC)c1[O-] ZINC000456554601 363711984 /nfs/dbraw/zinc/71/19/84/363711984.db2.gz VPHYBJDWHBBWEW-GFCCVEGCSA-N -1 3 295.335 1.564 10 0 CDAEHM COc1cc(C(=O)[N-]c2ccc(C(=O)N(C)C)cn2)on1 ZINC000348543665 360389277 /nfs/dbraw/zinc/38/92/77/360389277.db2.gz LMCNAUSSKXUUDB-UHFFFAOYSA-N -1 3 290.279 1.032 10 0 CDAEHM Cc1cc(=NC(=O)c2cn[n-]c2)[nH]n1[C@H](C)C1CC1 ZINC000514888794 360396131 /nfs/dbraw/zinc/39/61/31/360396131.db2.gz XNEZGELCJKPHAP-SECBINFHSA-N -1 3 259.313 1.560 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CCCC[C@H]2CC(N)=O)c1 ZINC000155199141 360438243 /nfs/dbraw/zinc/43/82/43/360438243.db2.gz IFPYYDWOWFDYFB-JTQLQIEISA-N -1 3 292.335 1.271 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CCCC[C@@H]2CC(N)=O)c1 ZINC000155199035 360438605 /nfs/dbraw/zinc/43/86/05/360438605.db2.gz IFPYYDWOWFDYFB-SNVBAGLBSA-N -1 3 292.335 1.271 10 0 CDAEHM COc1cc(=NC(=O)[C@]2(C)CCC[C@@H]2C)[n-]n1C ZINC000515367444 360486267 /nfs/dbraw/zinc/48/62/67/360486267.db2.gz JVWWLLIUYLZCEH-TVQRCGJNSA-N -1 3 251.330 1.615 10 0 CDAEHM CCn1nnc(C)c1CN1[C@H](C)[C@H](C(=O)[O-])CC[C@@H]1C ZINC000580347894 360537081 /nfs/dbraw/zinc/53/70/81/360537081.db2.gz QFJBZZXMJWFMHN-MVWJERBFSA-N -1 3 280.372 1.680 10 0 CDAEHM CCC(=O)N1CCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000335613528 360552580 /nfs/dbraw/zinc/55/25/80/360552580.db2.gz SBOCNMSCTGDJPU-UHFFFAOYSA-N -1 3 262.309 1.353 10 0 CDAEHM CC[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(C)cc1 ZINC000348803179 360628991 /nfs/dbraw/zinc/62/89/91/360628991.db2.gz PUSLPHRBYJGPOI-LBPRGKRZSA-N -1 3 289.335 1.114 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@H](C(=O)C3CC3)C2)n1 ZINC000338282193 360823285 /nfs/dbraw/zinc/82/32/85/360823285.db2.gz KSRAAYJANOUBNK-PWSUYJOCSA-N -1 3 291.351 1.232 10 0 CDAEHM COc1nnc(NC(=O)CC[C@@H]2CC[C@@H](C)O2)[n-]1 ZINC000179364292 189189177 /nfs/dbraw/zinc/18/91/77/189189177.db2.gz YTWYFARLQWKHQV-SFYZADRCSA-N -1 3 254.290 1.100 10 0 CDAEHM COc1nc(NC(=O)CC[C@@H]2CC[C@@H](C)O2)n[n-]1 ZINC000179364292 189189178 /nfs/dbraw/zinc/18/91/78/189189178.db2.gz YTWYFARLQWKHQV-SFYZADRCSA-N -1 3 254.290 1.100 10 0 CDAEHM COc1n[n-]c(NC(=O)CC[C@@H]2CC[C@@H](C)O2)n1 ZINC000179364292 189189179 /nfs/dbraw/zinc/18/91/79/189189179.db2.gz YTWYFARLQWKHQV-SFYZADRCSA-N -1 3 254.290 1.100 10 0 CDAEHM CCN1CC[C@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000334577742 360930059 /nfs/dbraw/zinc/93/00/59/360930059.db2.gz HAWLSDKRGULHMJ-VIFPVBQESA-N -1 3 252.289 1.355 10 0 CDAEHM CC(C)(C)[C@@H]1OCCC[C@H]1CN=c1[n-]c(C(N)=O)cs1 ZINC000432316893 361141121 /nfs/dbraw/zinc/14/11/21/361141121.db2.gz BTWINQSRBQZBJB-GXSJLCMTSA-N -1 3 297.424 1.917 10 0 CDAEHM Nc1nccc([C@@H]2CCCN(C(=O)c3ccccc3[O-])C2)n1 ZINC000366206613 361178570 /nfs/dbraw/zinc/17/85/70/361178570.db2.gz PCPUQXPGJPUFIF-LLVKDONJSA-N -1 3 298.346 1.615 10 0 CDAEHM NC(=O)Cc1csc([N-]C(=O)c2sccc2F)n1 ZINC000339063041 361252931 /nfs/dbraw/zinc/25/29/31/361252931.db2.gz QEWRNJTZJJINLL-UHFFFAOYSA-N -1 3 285.325 1.624 10 0 CDAEHM COCc1n[n-]c(=NC[C@@H](c2ccccc2)N(C)C)s1 ZINC000357028902 366705327 /nfs/dbraw/zinc/70/53/27/366705327.db2.gz PSKZFDUXOUERQN-LBPRGKRZSA-N -1 3 292.408 1.821 10 0 CDAEHM Cc1nc(C[N-]c2nc(-c3nccn3C)no2)cs1 ZINC000181533619 189299796 /nfs/dbraw/zinc/29/97/96/189299796.db2.gz UQMVXLBLIJKBTQ-UHFFFAOYSA-N -1 3 276.325 1.847 10 0 CDAEHM O=C([O-])c1cnccc1NCC1(CO)CC2(CCC2)C1 ZINC000566291404 370672318 /nfs/dbraw/zinc/67/23/18/370672318.db2.gz IFBKZIAJWZNOSR-UHFFFAOYSA-N -1 3 276.336 1.556 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCC[C@H](C2OCCO2)C1 ZINC000182293615 189319192 /nfs/dbraw/zinc/31/91/92/189319192.db2.gz XSZBEWUPCAZGSI-LBPRGKRZSA-N -1 3 277.320 1.617 10 0 CDAEHM COc1nc(C)c(Br)cc1-c1nnn[n-]1 ZINC000408494315 361405031 /nfs/dbraw/zinc/40/50/31/361405031.db2.gz DNHOBRWOLGUQPY-UHFFFAOYSA-N -1 3 270.090 1.341 10 0 CDAEHM COc1nc(C)c(Br)cc1-c1nn[n-]n1 ZINC000408494315 361405035 /nfs/dbraw/zinc/40/50/35/361405035.db2.gz DNHOBRWOLGUQPY-UHFFFAOYSA-N -1 3 270.090 1.341 10 0 CDAEHM COc1ccc([O-])c(C(=O)NC2CCS(=O)CC2)c1 ZINC000168718857 361411272 /nfs/dbraw/zinc/41/12/72/361411272.db2.gz FJQLBGQWAZAZLD-UHFFFAOYSA-N -1 3 283.349 1.042 10 0 CDAEHM COc1cccc2c1CN(C(=O)Cc1cncc([O-])c1)C2 ZINC000629111868 361547510 /nfs/dbraw/zinc/54/75/10/361547510.db2.gz IPYCBFDHWPNDDP-UHFFFAOYSA-N -1 3 284.315 1.881 10 0 CDAEHM O=C(NCc1ncccc1[O-])[C@H]1CCCCCC(=O)C1 ZINC000644084537 363802899 /nfs/dbraw/zinc/80/28/99/363802899.db2.gz BWFKFLSOHUFZPE-NSHDSACASA-N -1 3 276.336 1.943 10 0 CDAEHM C[C@@H](COCc1ccccc1)NC(=O)c1c[n-]nn1 ZINC000172953443 363998995 /nfs/dbraw/zinc/99/89/95/363998995.db2.gz GBVOSGIFMHXOEG-JTQLQIEISA-N -1 3 260.297 1.140 10 0 CDAEHM C[C@@H](COCc1ccccc1)NC(=O)c1cnn[n-]1 ZINC000172953443 363998997 /nfs/dbraw/zinc/99/89/97/363998997.db2.gz GBVOSGIFMHXOEG-JTQLQIEISA-N -1 3 260.297 1.140 10 0 CDAEHM C[C@@H](COCc1ccccc1)NC(=O)c1cn[n-]n1 ZINC000172953443 363998998 /nfs/dbraw/zinc/99/89/98/363998998.db2.gz GBVOSGIFMHXOEG-JTQLQIEISA-N -1 3 260.297 1.140 10 0 CDAEHM COC[C@]1(C)CN(C(=O)c2cccc([O-])c2)CCO1 ZINC000629909960 364136433 /nfs/dbraw/zinc/13/64/33/364136433.db2.gz VSZDZTFNFVNKNS-AWEZNQCLSA-N -1 3 265.309 1.270 10 0 CDAEHM C[C@@H]1CCN(CC(=O)Nc2cccc([O-])c2F)C1 ZINC000574925536 364177505 /nfs/dbraw/zinc/17/75/05/364177505.db2.gz DVOPUIWVLNNYNR-SECBINFHSA-N -1 3 252.289 1.812 10 0 CDAEHM O=C(c1cc(F)c[n-]c1=O)N1CCO[C@@H](CCF)C1 ZINC000630025590 364440735 /nfs/dbraw/zinc/44/07/35/364440735.db2.gz YCHBEONOOCDGQR-VIFPVBQESA-N -1 3 272.251 1.127 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@H](C)Cc2cc(C)n[nH]2)c1 ZINC000161614963 364521205 /nfs/dbraw/zinc/52/12/05/364521205.db2.gz HCPBZHISXDQJNU-SECBINFHSA-N -1 3 289.335 1.793 10 0 CDAEHM CC(C)[C@H](C)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352984416 364695513 /nfs/dbraw/zinc/69/55/13/364695513.db2.gz KFYDZMPYNHERKK-GXSJLCMTSA-N -1 3 251.330 1.914 10 0 CDAEHM O=C(CCCn1cccc1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352986699 364697078 /nfs/dbraw/zinc/69/70/78/364697078.db2.gz NGGFXYCYWCAIAN-CYBMUJFWSA-N -1 3 288.351 1.904 10 0 CDAEHM COC(=O)[C@@]1(NC(=O)c2cc(C)ccc2[O-])CCSC1 ZINC000270795628 364762964 /nfs/dbraw/zinc/76/29/64/364762964.db2.gz VIAKJXVOSKBLSD-CQSZACIVSA-N -1 3 295.360 1.479 10 0 CDAEHM C[C@H]1CN(C(=O)c2cccc3[n-]nnc32)CCS1 ZINC000187775068 364823319 /nfs/dbraw/zinc/82/33/19/364823319.db2.gz VQHHOTPWBVOXDG-QMMMGPOBSA-N -1 3 262.338 1.535 10 0 CDAEHM C[C@H]1CN(C(=O)c2cccc3nn[n-]c32)CCS1 ZINC000187775068 364823322 /nfs/dbraw/zinc/82/33/22/364823322.db2.gz VQHHOTPWBVOXDG-QMMMGPOBSA-N -1 3 262.338 1.535 10 0 CDAEHM C[C@H]1CN(C(=O)c2cccc3n[n-]nc32)CCS1 ZINC000187775068 364823327 /nfs/dbraw/zinc/82/33/27/364823327.db2.gz VQHHOTPWBVOXDG-QMMMGPOBSA-N -1 3 262.338 1.535 10 0 CDAEHM COc1cccc(C(=O)NC[C@](C)(O)C(F)(F)F)c1[O-] ZINC000270954441 364841999 /nfs/dbraw/zinc/84/19/99/364841999.db2.gz UDNZZPMSVISDSN-NSHDSACASA-N -1 3 293.241 1.444 10 0 CDAEHM O=C(NCCOC[C@@H]1CCOC1)c1cccc([O-])c1 ZINC000679636650 482901587 /nfs/dbraw/zinc/90/15/87/482901587.db2.gz RBACEZSFSQHXPO-LLVKDONJSA-N -1 3 265.309 1.175 10 0 CDAEHM COc1cccc(C(=O)N[C@H](C)c2cn(C)nc2C)c1[O-] ZINC000170808049 365125302 /nfs/dbraw/zinc/12/53/02/365125302.db2.gz CJNORSYMMZZUNL-SECBINFHSA-N -1 3 289.335 1.934 10 0 CDAEHM c1[n-][nH]c2ncnc(=N[C@H](c3ccccc3)[C@@H]3CCOC3)c1-2 ZINC000357287279 366888869 /nfs/dbraw/zinc/88/88/69/366888869.db2.gz MDCIBAYIOVMANH-TZMCWYRMSA-N -1 3 295.346 1.916 10 0 CDAEHM O=C(N=c1cc2ccccn2[n-]1)N[C@@H]1CCCOC1 ZINC000516600373 367005143 /nfs/dbraw/zinc/00/51/43/367005143.db2.gz WTAKKRCKUHCELR-SNVBAGLBSA-N -1 3 260.297 1.057 10 0 CDAEHM CCC[C@H](N)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000231202355 367545291 /nfs/dbraw/zinc/54/52/91/367545291.db2.gz OOQUNROLLZOTCH-RHYQMDGZSA-N -1 3 268.357 1.358 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCCCn2ccnc2C)o1 ZINC000358460402 367700620 /nfs/dbraw/zinc/70/06/20/367700620.db2.gz IAFWQPNOYDFZAR-UHFFFAOYSA-N -1 3 297.380 1.852 10 0 CDAEHM O=C(Nc1ccnc(Br)c1)c1cnn[n-]1 ZINC000307298263 367691672 /nfs/dbraw/zinc/69/16/72/367691672.db2.gz WQKLQHJIBYQSQV-UHFFFAOYSA-N -1 3 268.074 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FEPLTEZKEPPZHE-UHFFFAOYSA-N -1 3 283.287 1.788 10 0 CDAEHM Cc1ccc([O-])c(CN2CCC[C@]23CCOC3=O)n1 ZINC000375288249 160361801 /nfs/dbraw/zinc/36/18/01/160361801.db2.gz LIFZKDDYXNDZMT-CQSZACIVSA-N -1 3 262.309 1.377 10 0 CDAEHM COCc1nc(S[C@@H](C(=O)N(C)C)C(C)C)n[n-]1 ZINC000353820868 156105831 /nfs/dbraw/zinc/10/58/31/156105831.db2.gz CDTFXGCEZLBGPK-SECBINFHSA-N -1 3 272.374 1.156 10 0 CDAEHM COC(=O)[C@H](CC(F)F)NCc1nc(C)ccc1[O-] ZINC000355079394 156832668 /nfs/dbraw/zinc/83/26/68/156832668.db2.gz QPICDKPVGLCQAW-QMMMGPOBSA-N -1 3 274.267 1.382 10 0 CDAEHM CO[C@@H](C)[C@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000355951759 157296497 /nfs/dbraw/zinc/29/64/97/157296497.db2.gz GEVYHNNCOQOAEQ-UWVGGRQHSA-N -1 3 274.324 1.625 10 0 CDAEHM CC(C)c1cccc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000356042999 157331507 /nfs/dbraw/zinc/33/15/07/157331507.db2.gz NEARXTXQDQJMGQ-LBPRGKRZSA-N -1 3 289.335 1.024 10 0 CDAEHM CCn1cnnc1[N-]C(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000356172658 157383720 /nfs/dbraw/zinc/38/37/20/157383720.db2.gz ZOXAJBNOPCKPNN-JTQLQIEISA-N -1 3 290.323 1.196 10 0 CDAEHM Cc1ccc2c(c1C)OC[C@@H]2N=c1ncnc2[nH][n-]cc1-2 ZINC000342963356 292371936 /nfs/dbraw/zinc/37/19/36/292371936.db2.gz KKTLJQABHVDMFP-LBPRGKRZSA-N -1 3 281.319 1.889 10 0 CDAEHM O=C(N[C@@H](CCO)C1CCOCC1)c1cccc([O-])c1 ZINC000359730349 158353340 /nfs/dbraw/zinc/35/33/40/158353340.db2.gz SXVYJPGEBQRYPK-AWEZNQCLSA-N -1 3 279.336 1.300 10 0 CDAEHM Cc1cn2c(n1)CN(C(=O)c1ccc(O)cc1[O-])CC2 ZINC000371729025 160045463 /nfs/dbraw/zinc/04/54/63/160045463.db2.gz XGUFGJZYZZLHBJ-UHFFFAOYSA-N -1 3 273.292 1.259 10 0 CDAEHM O=C(c1ccccc1[O-])N1CC(O)(c2ccc(F)cc2)C1 ZINC000373373414 160195722 /nfs/dbraw/zinc/19/57/22/160195722.db2.gz QAZZCOZURZLXEA-UHFFFAOYSA-N -1 3 287.290 1.875 10 0 CDAEHM C[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1nnc2n1CCCCC2 ZINC000353451183 286929139 /nfs/dbraw/zinc/92/91/39/286929139.db2.gz RERDSNKATMCKRE-SECBINFHSA-N -1 3 298.354 1.217 10 0 CDAEHM CCn1ncc(CN2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000020315620 171146145 /nfs/dbraw/zinc/14/61/45/171146145.db2.gz MEYOBIFZCTWDFF-LLVKDONJSA-N -1 3 251.330 1.508 10 0 CDAEHM NCc1ccccc1CS(=O)(=O)[N-]CC(F)(F)F ZINC000020554354 171249391 /nfs/dbraw/zinc/24/93/91/171249391.db2.gz YFQSKGGITNKTNA-UHFFFAOYSA-N -1 3 282.287 1.127 10 0 CDAEHM COCCS(=O)(=O)[N-]c1cnc(C(F)(F)F)c(C)c1 ZINC000656637207 413503759 /nfs/dbraw/zinc/50/37/59/413503759.db2.gz DLAOEGMUTDLQHH-UHFFFAOYSA-N -1 3 298.286 1.797 10 0 CDAEHM O=C([O-])CCNCC(=O)NCc1ccccc1Cl ZINC000035386670 172169010 /nfs/dbraw/zinc/16/90/10/172169010.db2.gz DFMQLOQSXAZGRZ-UHFFFAOYSA-N -1 3 270.716 1.021 10 0 CDAEHM CCC(CC)NC(=O)[C@H](C)N[C@@H](C(=O)[O-])C(C)C ZINC000035390998 172174526 /nfs/dbraw/zinc/17/45/26/172174526.db2.gz NQRGDWTXRRPHSJ-GXSJLCMTSA-N -1 3 258.362 1.379 10 0 CDAEHM CCN(C(=O)CNCCCC(=O)[O-])c1ccccc1 ZINC000035415653 172190570 /nfs/dbraw/zinc/19/05/70/172190570.db2.gz QQCAUOJNXQJKRJ-UHFFFAOYSA-N -1 3 264.325 1.494 10 0 CDAEHM CCC[C@](C)(N)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000656855054 413740598 /nfs/dbraw/zinc/74/05/98/413740598.db2.gz TYRDQBMAMCAXBD-CWSCBRNRSA-N -1 3 256.346 1.073 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-]CCO[C@H]2CC2(F)F)s1 ZINC000657117887 413945207 /nfs/dbraw/zinc/94/52/07/413945207.db2.gz OURSRBJZJJHNHX-ZETCQYMHSA-N -1 3 298.336 1.154 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-]C[C@@]2(C)CC2(F)F)cn1 ZINC000657156080 413990022 /nfs/dbraw/zinc/99/00/22/413990022.db2.gz LWLGTPCIQBYNKP-SECBINFHSA-N -1 3 279.312 1.227 10 0 CDAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2C[C@H](O)C23CCC3)c1 ZINC000657189508 414024967 /nfs/dbraw/zinc/02/49/67/414024967.db2.gz UPLJMILEKJVCFM-QWRGUYRKSA-N -1 3 299.396 1.046 10 0 CDAEHM CCN[C@@](C)(C(=O)[O-])c1ccc(OC)cc1OC ZINC000037181530 173013823 /nfs/dbraw/zinc/01/38/23/173013823.db2.gz SRNCHTYZFDMRCC-CYBMUJFWSA-N -1 3 253.298 1.613 10 0 CDAEHM COc1cc2c(cc1CNCC1(C(=O)[O-])CCC1)OCO2 ZINC000665353469 414093286 /nfs/dbraw/zinc/09/32/86/414093286.db2.gz FSTRRANCLRRZMN-UHFFFAOYSA-N -1 3 293.319 1.768 10 0 CDAEHM CN(C(=O)c1cccc(C(=O)[O-])c1)[C@H](CN)C(F)(F)F ZINC000663281171 414118411 /nfs/dbraw/zinc/11/84/11/414118411.db2.gz ZHOBCKNZLJDADO-SECBINFHSA-N -1 3 290.241 1.346 10 0 CDAEHM C[C@]1(C(=O)NCc2cccc(C(=O)[O-])c2)CCCCN1 ZINC000133344573 414396120 /nfs/dbraw/zinc/39/61/20/414396120.db2.gz XESIGFWVJUHEFF-OAHLLOKOSA-N -1 3 276.336 1.533 10 0 CDAEHM Cc1cc(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)cs1 ZINC000662180216 414555513 /nfs/dbraw/zinc/55/55/13/414555513.db2.gz PBZHKGXBPMPYDS-UHFFFAOYSA-N -1 3 291.336 1.319 10 0 CDAEHM Cc1cc(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)cs1 ZINC000662180216 414555517 /nfs/dbraw/zinc/55/55/17/414555517.db2.gz PBZHKGXBPMPYDS-UHFFFAOYSA-N -1 3 291.336 1.319 10 0 CDAEHM Cc1cc(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)cs1 ZINC000662180216 414555519 /nfs/dbraw/zinc/55/55/19/414555519.db2.gz PBZHKGXBPMPYDS-UHFFFAOYSA-N -1 3 291.336 1.319 10 0 CDAEHM C[C@H](CNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])N1CCCCC1 ZINC000038028156 174016107 /nfs/dbraw/zinc/01/61/07/174016107.db2.gz QWZTWSHCPCKVES-RDBSUJKOSA-N -1 3 296.411 1.868 10 0 CDAEHM COc1cccc(C(=O)NC(C)(C)C(N)=S)c1[O-] ZINC000040349993 174244292 /nfs/dbraw/zinc/24/42/92/174244292.db2.gz APBLTXWUPHQPPQ-UHFFFAOYSA-N -1 3 268.338 1.195 10 0 CDAEHM CCCC[C@H](N)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000040470054 174278840 /nfs/dbraw/zinc/27/88/40/174278840.db2.gz OFEMHROMPJBQHC-NSHDSACASA-N -1 3 250.298 1.841 10 0 CDAEHM CCC[C@H](N)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000040478952 174283741 /nfs/dbraw/zinc/28/37/41/174283741.db2.gz NYMFPPXNFMOSHM-NSHDSACASA-N -1 3 250.298 1.128 10 0 CDAEHM C[C@@](N)(C(=O)N(CCC(=O)[O-])c1ccccc1)C1CC1 ZINC000040483908 174287286 /nfs/dbraw/zinc/28/72/86/174287286.db2.gz JVZHMZJGTJBMOH-HNNXBMFYSA-N -1 3 276.336 1.622 10 0 CDAEHM NC1(C(=O)N(CC(=O)[O-])c2ccccc2)CCCC1 ZINC000040484155 174287503 /nfs/dbraw/zinc/28/75/03/174287503.db2.gz NUKVJMZOHZEJFH-UHFFFAOYSA-N -1 3 262.309 1.376 10 0 CDAEHM CC(C)N(CCCC(=O)[O-])C(=O)[C@H](N)Cc1ccccc1 ZINC000040485354 174288734 /nfs/dbraw/zinc/28/87/34/174288734.db2.gz BMCXAWOWNJYVKT-CQSZACIVSA-N -1 3 292.379 1.658 10 0 CDAEHM CC[C@H](C)[C@@H](N)C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000040485658 174288752 /nfs/dbraw/zinc/28/87/52/174288752.db2.gz VRHGKTBZQHXJIA-JOYOIKCWSA-N -1 3 256.346 1.216 10 0 CDAEHM C[C@@](N)(C(=O)N[C@H](CCC(=O)[O-])c1ccccc1)C1CC1 ZINC000040484957 174288792 /nfs/dbraw/zinc/28/87/92/174288792.db2.gz GEEMBGSHAXKSFN-CJNGLKHVSA-N -1 3 290.363 1.836 10 0 CDAEHM CC(C)(C)[C@H](N)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000040486755 174289875 /nfs/dbraw/zinc/28/98/75/174289875.db2.gz BALMROQTBIKMLM-GHMZBOCLSA-N -1 3 270.373 1.510 10 0 CDAEHM CN(C(=O)NCCCCCC(=O)[O-])C1CCN(C)CC1 ZINC000040549407 174326388 /nfs/dbraw/zinc/32/63/88/174326388.db2.gz FPLDHGCXIAHODQ-UHFFFAOYSA-N -1 3 285.388 1.367 10 0 CDAEHM CN(CCCC(=O)[O-])CC(=O)N(C)C1=CCCC1 ZINC000042716540 174855542 /nfs/dbraw/zinc/85/55/42/174855542.db2.gz XTKVMUOEKBWBRA-UHFFFAOYSA-N -1 3 254.330 1.309 10 0 CDAEHM CC(C)[C@@H](N[C@@H]1CCS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000043430852 175043054 /nfs/dbraw/zinc/04/30/54/175043054.db2.gz GGAHOQFNBJVPKB-DGCLKSJQSA-N -1 3 297.376 1.604 10 0 CDAEHM CC(C)C[C@@H](NCc1nccn1C(F)F)C(=O)[O-] ZINC000043442729 175046636 /nfs/dbraw/zinc/04/66/36/175046636.db2.gz GXDFGKQWVYUQQD-MRVPVSSYSA-N -1 3 261.272 1.867 10 0 CDAEHM CCC[C@](C)(N)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000043586275 175071356 /nfs/dbraw/zinc/07/13/56/175071356.db2.gz QHVFPCHGAUALSJ-RISCZKNCSA-N -1 3 270.373 1.607 10 0 CDAEHM O=C([O-])[C@H]1c2ccsc2CCN1CCn1ccnc1 ZINC000044592277 175213315 /nfs/dbraw/zinc/21/33/15/175213315.db2.gz HYGQCGWBCDSXHF-GFCCVEGCSA-N -1 3 277.349 1.629 10 0 CDAEHM O=C([O-])C[C@H]1CCCCN1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044680996 175229033 /nfs/dbraw/zinc/22/90/33/175229033.db2.gz QIVSPKBEROUQRD-DGCLKSJQSA-N -1 3 295.383 1.262 10 0 CDAEHM Cc1cc(C[N-]S(=O)(=O)c2ccc(F)c(N)c2)no1 ZINC000044687611 175232716 /nfs/dbraw/zinc/23/27/16/175232716.db2.gz LYKPUUBHGSOESX-UHFFFAOYSA-N -1 3 285.300 1.183 10 0 CDAEHM CCOC[C@@H](C)NCc1nc(=O)c2sccc2[n-]1 ZINC000044724109 175237471 /nfs/dbraw/zinc/23/74/71/175237471.db2.gz UHJFTWXKGGQFBR-MRVPVSSYSA-N -1 3 267.354 1.912 10 0 CDAEHM C[C@H](CNC(=O)N1CCC[C@@H]1C(=O)[O-])N1CCCCC1 ZINC000045013432 175290364 /nfs/dbraw/zinc/29/03/64/175290364.db2.gz SUJCAACDIDZRAG-VXGBXAGGSA-N -1 3 283.372 1.119 10 0 CDAEHM CCOC1CCN(C[C@](N)(C(=O)[O-])c2ccccc2)CC1 ZINC000045273265 175344044 /nfs/dbraw/zinc/34/40/44/175344044.db2.gz PCOCLTHUOGLQKV-MRXNPFEDSA-N -1 3 292.379 1.426 10 0 CDAEHM COc1cccc(-c2cc(=O)[n-]c(N=[N+]([O-])O)n2)c1 ZINC000045957066 175389173 /nfs/dbraw/zinc/38/91/73/175389173.db2.gz GHMWMFDMQXUXBQ-UHFFFAOYSA-N -1 3 262.225 1.461 10 0 CDAEHM NC(=S)[C@H]([N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000070665440 176000171 /nfs/dbraw/zinc/00/01/71/176000171.db2.gz TYKYEHPSAMVMDN-MRVPVSSYSA-N -1 3 276.408 1.091 10 0 CDAEHM COCCCS(=O)(=O)[N-]c1ccc(C(C)=O)cc1 ZINC000071236135 176093385 /nfs/dbraw/zinc/09/33/85/176093385.db2.gz VAGJRFRCPAUHFN-UHFFFAOYSA-N -1 3 271.338 1.667 10 0 CDAEHM C[C@@H](CN1CCCC1=O)NCc1ccc(C(=O)[O-])o1 ZINC000071396076 176149815 /nfs/dbraw/zinc/14/98/15/176149815.db2.gz YBVYFQNLAGHEAV-VIFPVBQESA-N -1 3 266.297 1.078 10 0 CDAEHM C[C@H]1CCCc2ncc(C(=O)NCc3ncccc3[O-])n21 ZINC000651948438 423955916 /nfs/dbraw/zinc/95/59/16/423955916.db2.gz LXQSAKFSJFVTHW-JTQLQIEISA-N -1 3 286.335 1.811 10 0 CDAEHM C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)N1CCC[C@@H](C)C1 ZINC000653308581 424550138 /nfs/dbraw/zinc/55/01/38/424550138.db2.gz NYIQKKLPBOFWSV-SYQHCUMBSA-N -1 3 296.411 1.724 10 0 CDAEHM CCc1cccc(C(=O)NC[C@@H](O)[C@H]2CCCO2)c1[O-] ZINC000529760974 271028025 /nfs/dbraw/zinc/02/80/25/271028025.db2.gz ADCMUMSJYGNRTL-CHWSQXEVSA-N -1 3 279.336 1.224 10 0 CDAEHM CO[C@]1(C(=O)[O-])CCN(CCOc2c(C)cccc2C)C1 ZINC000530169969 271126584 /nfs/dbraw/zinc/12/65/84/271126584.db2.gz KLHMJPVLDOOPFX-MRXNPFEDSA-N -1 3 293.363 1.858 10 0 CDAEHM CCO[C@@]1(C)C[C@H]1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000530275238 271191523 /nfs/dbraw/zinc/19/15/23/271191523.db2.gz TWZLZMUYVUSHFL-DOMZBBRYSA-N -1 3 293.367 1.415 10 0 CDAEHM C[C@H]1CC[C@H](C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)O1 ZINC000120667003 279388329 /nfs/dbraw/zinc/38/83/29/279388329.db2.gz GGNMPDLOTDVBQK-JOYOIKCWSA-N -1 3 287.323 1.297 10 0 CDAEHM C[C@H]1CC[C@H](C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)O1 ZINC000120667003 279388331 /nfs/dbraw/zinc/38/83/31/279388331.db2.gz GGNMPDLOTDVBQK-JOYOIKCWSA-N -1 3 287.323 1.297 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cccc2ncccc21 ZINC000131365070 279672967 /nfs/dbraw/zinc/67/29/67/279672967.db2.gz YUJXVKWLHNXWNK-UHFFFAOYSA-N -1 3 296.286 1.997 10 0 CDAEHM O=C(NCCn1cccn1)c1ccc2c(c1[O-])CCCC2 ZINC000185437272 279924200 /nfs/dbraw/zinc/92/42/00/279924200.db2.gz KYTYGENEEYWDBK-UHFFFAOYSA-N -1 3 285.347 1.898 10 0 CDAEHM C[C@@H](F)CCNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000514951111 280864457 /nfs/dbraw/zinc/86/44/57/280864457.db2.gz SIUPMDCNZIXSDT-SSDOTTSWSA-N -1 3 253.277 1.538 10 0 CDAEHM COCCC1(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)CC1 ZINC000527499501 281145488 /nfs/dbraw/zinc/14/54/88/281145488.db2.gz IBSJLWNGGAGYCR-LLVKDONJSA-N -1 3 279.340 1.438 10 0 CDAEHM O=S(=O)([N-]CC[C@@H]1CCCOC1)c1cccs1 ZINC000528444765 281230939 /nfs/dbraw/zinc/23/09/39/281230939.db2.gz GKMNRNRXRJFAHB-JTQLQIEISA-N -1 3 275.395 1.843 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-]CC[C@@H]2CCCOC2)s1 ZINC000528446147 281231891 /nfs/dbraw/zinc/23/18/91/281231891.db2.gz ABEAAMNSRJDCRW-JTQLQIEISA-N -1 3 290.410 1.547 10 0 CDAEHM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-][C@@H]1COc2ccccc21 ZINC000184409567 288896126 /nfs/dbraw/zinc/89/61/26/288896126.db2.gz MSDIRYGBQIHPRS-NDMJEZRESA-N -1 3 283.349 1.217 10 0 CDAEHM CC(C)CCN(CCC(C)C)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000154137671 289195518 /nfs/dbraw/zinc/19/55/18/289195518.db2.gz FVELUVAIZUBIPW-LBPRGKRZSA-N -1 3 297.399 1.505 10 0 CDAEHM O=C(NCC[C@@H]1CCOC1)c1cc(=O)c2ccccc2[n-]1 ZINC000541486213 289495368 /nfs/dbraw/zinc/49/53/68/289495368.db2.gz SWTOFQPZWZHZEE-LLVKDONJSA-N -1 3 286.331 1.685 10 0 CDAEHM Cc1cc([N-]c2nccn3nnnc23)nn1[C@H](C)C1CC1 ZINC000542262141 289538242 /nfs/dbraw/zinc/53/82/42/289538242.db2.gz 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273.377 1.125 10 0 CDAEHM COCC1(CNC(=O)NCc2ncccc2[O-])CCC1 ZINC000336948692 522887361 /nfs/dbraw/zinc/88/73/61/522887361.db2.gz OIEQGAWDDKBUFM-UHFFFAOYSA-N -1 3 279.340 1.403 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)c1c[nH]nc1N)C1CCCCC1 ZINC000052334048 522902473 /nfs/dbraw/zinc/90/24/73/522902473.db2.gz MUAKAWVJWAZUBJ-SNVBAGLBSA-N -1 3 286.401 1.629 10 0 CDAEHM C[C@H](CN1CCCCC1)NC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000049502755 524329435 /nfs/dbraw/zinc/32/94/35/524329435.db2.gz GWGQDBSIKCHVQW-OLZOCXBDSA-N -1 3 297.399 1.510 10 0 CDAEHM CSCCC[N-]S(=O)(=O)c1cc(N)ccc1F ZINC000069428972 525480149 /nfs/dbraw/zinc/48/01/49/525480149.db2.gz MWPGDMWIOVIVDK-UHFFFAOYSA-N -1 3 278.374 1.439 10 0 CDAEHM Cn1c(=O)[n-]nc1Sc1cccc(Br)n1 ZINC000069018917 527021837 /nfs/dbraw/zinc/02/18/37/527021837.db2.gz IENKIWDCXAYIBS-UHFFFAOYSA-N -1 3 287.142 1.417 10 0 CDAEHM Nc1nnc(C(=O)Nc2cccc(OC(F)(F)F)c2)[n-]1 ZINC000055164415 527546987 /nfs/dbraw/zinc/54/69/87/527546987.db2.gz CUNDFNPIKLVABI-UHFFFAOYSA-N -1 3 287.201 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O=C(c1ccc(-c2nn[n-]n2)cn1)N1C[C@@H]2CCCC[C@@H]21 ZINC000898442701 621742977 /nfs/dbraw/zinc/74/29/77/621742977.db2.gz WUBMGKLTRUIPHY-JQWIXIFHSA-N -1 3 284.323 1.276 10 0 CDAEHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898738738 621857694 /nfs/dbraw/zinc/85/76/94/621857694.db2.gz DCMQDUIBKNYCSL-ATGSNQNLSA-N -1 3 299.374 1.664 10 0 CDAEHM O=C(c1c([O-])cccc1O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000899627160 622335259 /nfs/dbraw/zinc/33/52/59/622335259.db2.gz GCGIZLZHRGMVMS-GWCFXTLKSA-N -1 3 277.320 1.739 10 0 CDAEHM CC[C@H]1CCC[C@]1(C)C(=O)Nc1n[n-]c(CC(=O)OC)n1 ZINC000900740751 623437814 /nfs/dbraw/zinc/43/78/14/623437814.db2.gz ZVYAQDIACSPNQU-XPTSAGLGSA-N -1 3 294.355 1.675 10 0 CDAEHM O=C(Nc1cccc([O-])c1F)[C@H]1CCc2nncn2CC1 ZINC000901244685 624035859 /nfs/dbraw/zinc/03/58/59/624035859.db2.gz USQDKBSRGNZDCT-VIFPVBQESA-N -1 3 290.298 1.714 10 0 CDAEHM COc1cccc(OC)c1CN1CC[C@@](OC)(C(=O)[O-])C1 ZINC000901543573 624341684 /nfs/dbraw/zinc/34/16/84/624341684.db2.gz 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ZINC000851706843 695359402 /nfs/dbraw/zinc/35/94/02/695359402.db2.gz JHCPTZFWPMFGNZ-ZDUSSCGKSA-N -1 3 266.345 1.280 10 0 CDAEHM CC(C)[C@H](O)C[N-]S(=O)(=O)c1cccnc1Cl ZINC000158852653 695986746 /nfs/dbraw/zinc/98/67/46/695986746.db2.gz MTPZFEJNWQYBGZ-MRVPVSSYSA-N -1 3 278.761 1.030 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CC(C)(C)CC[C@@H]2CO)n1 ZINC000700434198 695184734 /nfs/dbraw/zinc/18/47/34/695184734.db2.gz HWAKHKNKFWKCRV-LLVKDONJSA-N -1 3 265.357 1.474 10 0 CDAEHM CC(C)n1cnc([N-]C(=O)c2ccc(Cl)nn2)n1 ZINC000844735923 695253746 /nfs/dbraw/zinc/25/37/46/695253746.db2.gz RTUNRXKGJHSBGA-UHFFFAOYSA-N -1 3 266.692 1.555 10 0 CDAEHM COc1cc(F)cc(CN2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])c1 ZINC000721187072 695319551 /nfs/dbraw/zinc/31/95/51/695319551.db2.gz OWYVEQUJKCHQGH-MJBXVCDLSA-N -1 3 279.311 1.987 10 0 CDAEHM COC(=O)c1coc(C(=O)NN=c2ccc(Cl)n[n-]2)c1 ZINC000185381972 695340808 /nfs/dbraw/zinc/34/08/08/695340808.db2.gz IJLFODUVCKAFCF-UHFFFAOYSA-N -1 3 296.670 1.267 10 0 CDAEHM CC(C)(C)c1ccc(C(=O)[N-]N2CCCC2=O)nc1 ZINC000817560369 695421125 /nfs/dbraw/zinc/42/11/25/695421125.db2.gz GESBVOSXEUDHCV-UHFFFAOYSA-N -1 3 261.325 1.646 10 0 CDAEHM CC(C)(C)C[C@@H](O)CC(=O)[N-]OCC(F)(F)F ZINC000813487061 695451368 /nfs/dbraw/zinc/45/13/68/695451368.db2.gz IDHITNWDKBGSDH-ZETCQYMHSA-N -1 3 257.252 1.784 10 0 CDAEHM Cc1cc(C(=O)[N-]NC(=O)C(C)(C)O)c(Cl)cc1F ZINC000190052762 695455907 /nfs/dbraw/zinc/45/59/07/695455907.db2.gz BLFBQUBZOVIFRX-UHFFFAOYSA-N -1 3 288.706 1.319 10 0 CDAEHM CC(C)[C@@H](CO)O[N-]C(=O)c1c(Cl)nn(C)c1Cl ZINC000861906941 695458814 /nfs/dbraw/zinc/45/88/14/695458814.db2.gz CCXZNVFZLNXARE-ZCFIWIBFSA-N -1 3 296.154 1.405 10 0 CDAEHM CCN1CCC[C@H](NC(=O)N[C@@](C)(CC)C(=O)[O-])C1 ZINC000094225578 695508041 /nfs/dbraw/zinc/50/80/41/695508041.db2.gz JBSKMWARCGPUFP-GWCFXTLKSA-N -1 3 271.361 1.023 10 0 CDAEHM Cc1occc1C[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000866576703 695576650 /nfs/dbraw/zinc/57/66/50/695576650.db2.gz AXBSQQPRGIORRG-UHFFFAOYSA-N -1 3 267.310 1.165 10 0 CDAEHM O=C(OCCN1CCCc2ccccc21)c1cnn[n-]1 ZINC000805606145 695612584 /nfs/dbraw/zinc/61/25/84/695612584.db2.gz TXUQNCFOICNNSI-UHFFFAOYSA-N -1 3 272.308 1.414 10 0 CDAEHM O=C(OCCN1CCCc2ccccc21)c1c[n-]nn1 ZINC000805606145 695612585 /nfs/dbraw/zinc/61/25/85/695612585.db2.gz TXUQNCFOICNNSI-UHFFFAOYSA-N -1 3 272.308 1.414 10 0 CDAEHM CCOC[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000311112755 695645502 /nfs/dbraw/zinc/64/55/02/695645502.db2.gz FQCHSSNDBCIDQT-ZETCQYMHSA-N -1 3 296.751 1.577 10 0 CDAEHM Cc1ccc(CCC(=O)[N-]O[C@@H](CO)C(C)C)o1 ZINC000836892822 695699552 /nfs/dbraw/zinc/69/95/52/695699552.db2.gz RTNHFQYDIJEHEV-LBPRGKRZSA-N -1 3 255.314 1.585 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000875679869 695706749 /nfs/dbraw/zinc/70/67/49/695706749.db2.gz PIIJXQGMXDMVBU-HTQZYQBOSA-N -1 3 265.313 1.817 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000875679869 695706752 /nfs/dbraw/zinc/70/67/52/695706752.db2.gz PIIJXQGMXDMVBU-HTQZYQBOSA-N -1 3 265.313 1.817 10 0 CDAEHM CC[C@@H](C)CC[C@H](O)CC(=O)Nc1nnc(OC)[n-]1 ZINC000793760496 695819772 /nfs/dbraw/zinc/81/97/72/695819772.db2.gz NUUKSSWTKWVQAD-BDAKNGLRSA-N -1 3 270.333 1.329 10 0 CDAEHM CC[C@@H](C)CC[C@H](O)CC(=O)Nc1n[n-]c(OC)n1 ZINC000793760496 695819773 /nfs/dbraw/zinc/81/97/73/695819773.db2.gz NUUKSSWTKWVQAD-BDAKNGLRSA-N -1 3 270.333 1.329 10 0 CDAEHM CC[C@@H](C)CC[C@H](O)CC(=O)Nc1nc(OC)n[n-]1 ZINC000793760496 695819775 /nfs/dbraw/zinc/81/97/75/695819775.db2.gz NUUKSSWTKWVQAD-BDAKNGLRSA-N -1 3 270.333 1.329 10 0 CDAEHM Cn1nccc1CO[N-]C(=O)CCCc1ccccc1 ZINC000775332598 695832068 /nfs/dbraw/zinc/83/20/68/695832068.db2.gz HSTGEWBQWPSLNY-UHFFFAOYSA-N -1 3 273.336 1.991 10 0 CDAEHM COC(C)(C)[C@@H](C)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000928594760 695840554 /nfs/dbraw/zinc/84/05/54/695840554.db2.gz LOJJTKCJFRKMJI-SECBINFHSA-N -1 3 281.356 1.271 10 0 CDAEHM COc1nnc(NC(=O)C=Cc2ccccc2F)[n-]1 ZINC000311251343 695841243 /nfs/dbraw/zinc/84/12/43/695841243.db2.gz JPYLKLUSBWOQMK-SREVYHEPSA-N -1 3 262.244 1.604 10 0 CDAEHM COc1nc(NC(=O)C=Cc2ccccc2F)n[n-]1 ZINC000311251343 695841244 /nfs/dbraw/zinc/84/12/44/695841244.db2.gz JPYLKLUSBWOQMK-SREVYHEPSA-N -1 3 262.244 1.604 10 0 CDAEHM COc1n[n-]c(NC(=O)C=Cc2ccccc2F)n1 ZINC000311251343 695841245 /nfs/dbraw/zinc/84/12/45/695841245.db2.gz JPYLKLUSBWOQMK-SREVYHEPSA-N -1 3 262.244 1.604 10 0 CDAEHM O=C(N[C@H]1CCCN2CCSC[C@@H]12)c1ncccc1[O-] ZINC000720396320 695856959 /nfs/dbraw/zinc/85/69/59/695856959.db2.gz NDOZTZFMKWVTSG-QWRGUYRKSA-N -1 3 293.392 1.097 10 0 CDAEHM CC(C)[C@H](OC(=O)c1cccc2nn[n-]c21)C(=O)N(C)C ZINC000800208353 695858779 /nfs/dbraw/zinc/85/87/79/695858779.db2.gz NFQROGYBFCPMJK-LBPRGKRZSA-N -1 3 290.323 1.228 10 0 CDAEHM CC(C)[C@H](OC(=O)c1cccc2[n-]nnc21)C(=O)N(C)C ZINC000800208353 695858781 /nfs/dbraw/zinc/85/87/81/695858781.db2.gz NFQROGYBFCPMJK-LBPRGKRZSA-N -1 3 290.323 1.228 10 0 CDAEHM CC(C)[C@H](OC(=O)c1cccc2n[n-]nc21)C(=O)N(C)C ZINC000800208353 695858782 /nfs/dbraw/zinc/85/87/82/695858782.db2.gz NFQROGYBFCPMJK-LBPRGKRZSA-N -1 3 290.323 1.228 10 0 CDAEHM Cn1ncc([N-]S(=O)(=O)C[C@@H]2CCCOC2)c1C1CC1 ZINC000795350358 695893663 /nfs/dbraw/zinc/89/36/63/695893663.db2.gz DLNZXSCBAQMJGA-SNVBAGLBSA-N -1 3 299.396 1.466 10 0 CDAEHM COCc1nc(C)cc(N2CC[C@H](c3cc(=O)[nH][n-]3)C2)n1 ZINC000849478099 695971844 /nfs/dbraw/zinc/97/18/44/695971844.db2.gz IVFBVJOYZNNOPL-JTQLQIEISA-N -1 3 289.339 1.354 10 0 CDAEHM Cc1cc(C(=O)[N-]N2Cc3ccccc3C2=O)cnn1 ZINC000787253726 696001133 /nfs/dbraw/zinc/00/11/33/696001133.db2.gz SEKBFDWNAZNSET-UHFFFAOYSA-N -1 3 268.276 1.086 10 0 CDAEHM CO[C@@]1(C[N-]S(=O)(=O)c2ccco2)CCSC1 ZINC000921401832 696003660 /nfs/dbraw/zinc/00/36/60/696003660.db2.gz IVWPVISLQABLMI-SNVBAGLBSA-N -1 3 277.367 1.080 10 0 CDAEHM CO[C@H]1C[C@@H](CSc2nc3c(cnn3C)c(=O)[n-]2)C1 ZINC000871679160 696012580 /nfs/dbraw/zinc/01/25/80/696012580.db2.gz JFGLFWBJPDTGOC-OCAPTIKFSA-N -1 3 280.353 1.586 10 0 CDAEHM COC(=O)c1cncc(CN2CCCC[C@@H]2C(=O)[O-])c1 ZINC000923230048 696023854 /nfs/dbraw/zinc/02/38/54/696023854.db2.gz 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CDAEHM Cn1c2ccccc2nc1CN1CC[C@@H](c2nn[n-]n2)C1 ZINC001644305142 1167306665 /nfs/dbraw/zinc/30/66/65/1167306665.db2.gz JEDKYQARBDQTMT-SNVBAGLBSA-N -1 3 283.339 1.076 10 0 CDAEHM Cc1nccnc1[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001644901751 1167354239 /nfs/dbraw/zinc/35/42/39/1167354239.db2.gz NMYGCTUTXMYHKN-SECBINFHSA-N -1 3 282.307 1.547 10 0 CDAEHM COc1nnc(NC(=O)c2cccc3c2COCC3)[n-]1 ZINC001645980920 1167596686 /nfs/dbraw/zinc/59/66/86/1167596686.db2.gz MURVTNZVIGUMOD-UHFFFAOYSA-N -1 3 274.280 1.138 10 0 CDAEHM COc1nc(NC(=O)c2cccc3c2COCC3)n[n-]1 ZINC001645980920 1167596693 /nfs/dbraw/zinc/59/66/93/1167596693.db2.gz MURVTNZVIGUMOD-UHFFFAOYSA-N -1 3 274.280 1.138 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cccc3c2COCC3)n1 ZINC001645980920 1167596698 /nfs/dbraw/zinc/59/66/98/1167596698.db2.gz MURVTNZVIGUMOD-UHFFFAOYSA-N -1 3 274.280 1.138 10 0 CDAEHM Cc1nc([C@@H](C)[N-]C(=O)C(F)(F)C2CCOCC2)no1 ZINC001647153211 1168413001 /nfs/dbraw/zinc/41/30/01/1168413001.db2.gz ISTIRBYXVJPRQS-SSDOTTSWSA-N -1 3 289.282 1.617 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)c2ccc(Cn3ccnn3)o2)n1 ZINC001568296161 1169229992 /nfs/dbraw/zinc/22/99/92/1169229992.db2.gz QEHLUGCGJWUHOL-UHFFFAOYSA-N -1 3 299.290 1.581 10 0 CDAEHM C[C@H]1CCN(C(=O)c2nnc3ccccc3c2[O-])C[C@H]1O ZINC000089415950 1174053735 /nfs/dbraw/zinc/05/37/35/1174053735.db2.gz GVLWEMNJXNODBE-JOYOIKCWSA-N -1 3 287.319 1.178 10 0 CDAEHM CCOc1cccc(C=CC(=O)Nc2nnc(OC)[n-]2)c1 ZINC001596257424 1174234037 /nfs/dbraw/zinc/23/40/37/1174234037.db2.gz YQMLHFRMHKPAES-BQYQJAHWSA-N -1 3 288.307 1.864 10 0 CDAEHM CCOc1cccc(C=CC(=O)Nc2n[n-]c(OC)n2)c1 ZINC001596257424 1174234044 /nfs/dbraw/zinc/23/40/44/1174234044.db2.gz YQMLHFRMHKPAES-BQYQJAHWSA-N -1 3 288.307 1.864 10 0 CDAEHM CCOc1cccc(C=CC(=O)Nc2nc(OC)n[n-]2)c1 ZINC001596257424 1174234051 /nfs/dbraw/zinc/23/40/51/1174234051.db2.gz YQMLHFRMHKPAES-BQYQJAHWSA-N -1 3 288.307 1.864 10 0 CDAEHM O=C(NC1CN(CCCCCF)C1)c1ccccc1[O-] ZINC001692171089 1175690630 /nfs/dbraw/zinc/69/06/30/1175690630.db2.gz IYPDSVRTPHAQDO-UHFFFAOYSA-N -1 3 280.343 1.946 10 0 CDAEHM COc1cccc(CC(=O)NCc2ccc([O-])c(F)c2)n1 ZINC000187115614 1184241560 /nfs/dbraw/zinc/24/15/60/1184241560.db2.gz AQEDTKJRPQONSI-UHFFFAOYSA-N -1 3 290.294 1.794 10 0 CDAEHM CC(C)(C)c1ncc(CN[C@@H](C(=O)[O-])[C@@H]2CCCO2)cn1 ZINC001771829418 1186893332 /nfs/dbraw/zinc/89/33/32/1186893332.db2.gz GRDNXGCDNAIXRQ-NWDGAFQWSA-N -1 3 293.367 1.496 10 0 CDAEHM Cn1cc(CNC[C@@H]2CCC3(CCC3)O2)c(C(=O)[O-])n1 ZINC001771909074 1186946322 /nfs/dbraw/zinc/94/63/22/1186946322.db2.gz QZZFXKAXDQJSFT-NSHDSACASA-N -1 3 279.340 1.310 10 0 CDAEHM CCCn1cc(CN[C@@H](CC2(OC)CCC2)C(=O)[O-])nn1 ZINC001771910890 1186949484 /nfs/dbraw/zinc/94/94/84/1186949484.db2.gz NSCQLZBFAYYYGP-LBPRGKRZSA-N -1 3 296.371 1.190 10 0 CDAEHM CN(CC(=O)N[C@@H]1C[C@H](C(=O)[O-])[C@H]2C[C@H]21)CC(C)(C)C ZINC000923191811 725301425 /nfs/dbraw/zinc/30/14/25/725301425.db2.gz CYWKXHAYHWGCCS-WHOHXGKFSA-N -1 3 282.384 1.190 10 0 CDAEHM C[C@@H]1C[C@H](NC(=O)c2nnc3ccccc3c2[O-])[C@@H](C)O1 ZINC000870475292 724399358 /nfs/dbraw/zinc/39/93/58/724399358.db2.gz QYKBLGIPVZJTEU-LNLATYFQSA-N -1 3 287.319 1.631 10 0 CDAEHM C[C@@H]1[C@H](NC(=O)c2c([O-])cccc2F)CCN1C ZINC000719336460 724409151 /nfs/dbraw/zinc/40/91/51/724409151.db2.gz FMTQAIFZBVYRDA-PSASIEDQSA-N -1 3 252.289 1.354 10 0 CDAEHM CC(C)(C)SCC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000808258053 724415423 /nfs/dbraw/zinc/41/54/23/724415423.db2.gz UYGVYMAAXKLJIX-UHFFFAOYSA-N -1 3 271.386 1.290 10 0 CDAEHM CC1(C)SC[C@@H]1NC(=O)c1nnc2ccccc2c1[O-] ZINC000787975451 723707785 /nfs/dbraw/zinc/70/77/85/723707785.db2.gz JXVNNZYNEZCAQI-JTQLQIEISA-N -1 3 289.360 1.959 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)c2ccccc2)nn1 ZINC000866407151 723712651 /nfs/dbraw/zinc/71/26/51/723712651.db2.gz JQCMBBBJHQPLOG-LLVKDONJSA-N -1 3 291.376 1.867 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CC[C@@H](n3cc(Cl)cn3)C2)n1 ZINC000810132156 723725643 /nfs/dbraw/zinc/72/56/43/723725643.db2.gz XJIHRFUXDJGGIL-LLVKDONJSA-N -1 3 293.758 1.788 10 0 CDAEHM CCOc1ccccc1CN1CC[C@](O)(C(=O)[O-])C1 ZINC000706436237 723772273 /nfs/dbraw/zinc/77/22/73/723772273.db2.gz LGVHKXGHSBFVNT-CQSZACIVSA-N -1 3 265.309 1.107 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](C)Cn2ccnc2)o1 ZINC000358463967 723777647 /nfs/dbraw/zinc/77/76/47/723777647.db2.gz NCOMQSFBOUNBNI-SECBINFHSA-N -1 3 269.326 1.152 10 0 CDAEHM CSc1nc(NC(=O)[C@H]2C[C@]2(C)Br)n[n-]1 ZINC000858928922 723795830 /nfs/dbraw/zinc/79/58/30/723795830.db2.gz YIBMGUBMFQFPRE-VHWMUFPASA-N -1 3 291.174 1.639 10 0 CDAEHM CO[N-]C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000929851176 723850027 /nfs/dbraw/zinc/85/00/27/723850027.db2.gz AZGWAPIFOXOBNV-NXEZZACHSA-N -1 3 272.345 1.557 10 0 CDAEHM CCO[C@H]1COCC[C@@H]1CC(=O)[N-]OCC1CCC1 ZINC000869305429 723921154 /nfs/dbraw/zinc/92/11/54/723921154.db2.gz KLQOJBVJMGUPSX-OLZOCXBDSA-N -1 3 271.357 1.666 10 0 CDAEHM CN(C)Cc1csc(CNC(=O)c2ccccc2[O-])n1 ZINC000722403904 724085330 /nfs/dbraw/zinc/08/53/30/724085330.db2.gz GEBTXVYLNPQHOK-UHFFFAOYSA-N -1 3 291.376 1.840 10 0 CDAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CC12CCCCC2 ZINC000867045166 724099114 /nfs/dbraw/zinc/09/91/14/724099114.db2.gz AQJAAFVIUZGZBL-BMLIUANNSA-N -1 3 294.442 1.661 10 0 CDAEHM C[C@@H]1CC[C@H](CO)N1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000922005616 724104296 /nfs/dbraw/zinc/10/42/96/724104296.db2.gz RUWGKBDCYJYHIM-RKDXNWHRSA-N -1 3 279.292 1.106 10 0 CDAEHM CO[C@@H]1CCCN(NC(=O)c2cc(SC)ccc2[O-])C1 ZINC000928424437 724128123 /nfs/dbraw/zinc/12/81/23/724128123.db2.gz UZTPYSTWPZPWMU-SNVBAGLBSA-N -1 3 296.392 1.870 10 0 CDAEHM O=C1O[C@@H](CNCc2c(F)ccc([O-])c2F)CN1C1CC1 ZINC000848929264 724217325 /nfs/dbraw/zinc/21/73/25/724217325.db2.gz UZSVPSITMXEWIQ-VIFPVBQESA-N -1 3 298.289 1.743 10 0 CDAEHM O=C(N[C@H]1C[C@H](O)C12CCC2)c1nnc2ccccc2c1[O-] ZINC000855924984 724287381 /nfs/dbraw/zinc/28/73/81/724287381.db2.gz NWKWQDHMYAIUPA-RYUDHWBXSA-N -1 3 299.330 1.369 10 0 CDAEHM Cn1cc(CN[C@@]2(C(=O)[O-])CCSC2)c(Cl)n1 ZINC000856723216 725540411 /nfs/dbraw/zinc/54/04/11/725540411.db2.gz YMBPXIGQYRZAOJ-JTQLQIEISA-N -1 3 275.761 1.123 10 0 CDAEHM [O-]c1ccc(F)c(CNCC[C@@]2(O)CCOC2)c1F ZINC000846048793 724553099 /nfs/dbraw/zinc/55/30/99/724553099.db2.gz JNKQGWYEBIXMBV-CYBMUJFWSA-N -1 3 273.279 1.302 10 0 CDAEHM COc1nnc(NC(=O)C[C@]2(C)CC2(Cl)Cl)[n-]1 ZINC000828263732 724577051 /nfs/dbraw/zinc/57/70/51/724577051.db2.gz LMJXWAWWTCTRHG-MRVPVSSYSA-N -1 3 279.127 1.726 10 0 CDAEHM COc1nc(NC(=O)C[C@]2(C)CC2(Cl)Cl)n[n-]1 ZINC000828263732 724577054 /nfs/dbraw/zinc/57/70/54/724577054.db2.gz LMJXWAWWTCTRHG-MRVPVSSYSA-N -1 3 279.127 1.726 10 0 CDAEHM COc1n[n-]c(NC(=O)C[C@]2(C)CC2(Cl)Cl)n1 ZINC000828263732 724577056 /nfs/dbraw/zinc/57/70/56/724577056.db2.gz LMJXWAWWTCTRHG-MRVPVSSYSA-N -1 3 279.127 1.726 10 0 CDAEHM CC(=O)[C@@H](C)CCCCC(=O)[N-]O[C@H](CO)C(C)C ZINC000836889980 724593536 /nfs/dbraw/zinc/59/35/36/724593536.db2.gz FNCSFJXONCWAMZ-WCQYABFASA-N -1 3 273.373 1.837 10 0 CDAEHM O=C(OC[C@@H]1C[C@H]2C[C@H]2C1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000853897114 724597384 /nfs/dbraw/zinc/59/73/84/724597384.db2.gz 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/nfs/dbraw/zinc/75/48/90/724754890.db2.gz XWFCEBOJCAFVAL-UHFFFAOYSA-N -1 3 262.191 1.456 10 0 CDAEHM CN1CCC[C@H](NC(=O)N[C@H](C(=O)[O-])C2CCCCC2)C1 ZINC000040716470 724781715 /nfs/dbraw/zinc/78/17/15/724781715.db2.gz MRIHIAUQFGOCSF-STQMWFEESA-N -1 3 297.399 1.413 10 0 CDAEHM CCOc1cc(CNCc2cnn(C)n2)cc(Cl)c1[O-] ZINC000839094620 724794485 /nfs/dbraw/zinc/79/44/85/724794485.db2.gz IPWPPKGAIWLVRC-UHFFFAOYSA-N -1 3 296.758 1.863 10 0 CDAEHM O=C([N-]OCc1ccc(F)cc1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000832163535 724815249 /nfs/dbraw/zinc/81/52/49/724815249.db2.gz PELYSEMXULOWDV-GDNZZTSVSA-N -1 3 251.257 1.266 10 0 CDAEHM O=C(c1nnc2ccccc2c1[O-])N1CC2(C1)CCCOC2 ZINC000807896688 724829786 /nfs/dbraw/zinc/82/97/86/724829786.db2.gz AGNBGSUUUJNFBK-UHFFFAOYSA-N -1 3 299.330 1.588 10 0 CDAEHM COC(=O)c1ccc(C(=O)Nc2cc(Cl)[nH]n2)[n-]1 ZINC000815856593 723727627 /nfs/dbraw/zinc/72/76/27/723727627.db2.gz SUMZVLZQFTZQKM-UHFFFAOYSA-N -1 3 268.660 1.430 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)n1 ZINC000823811558 723845334 /nfs/dbraw/zinc/84/53/34/723845334.db2.gz VBVAPKNPKUWDAF-SDDRHHMPSA-N -1 3 275.352 1.933 10 0 CDAEHM CC1(C)[C@H](CNC(=O)c2ccc(N)cc2[O-])C1(F)F ZINC000852863342 723942355 /nfs/dbraw/zinc/94/23/55/723942355.db2.gz DLIZXRPCRFEMSO-JTQLQIEISA-N -1 3 270.279 1.996 10 0 CDAEHM COC(=O)N[C@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000234521244 725119504 /nfs/dbraw/zinc/11/95/04/725119504.db2.gz GTKDHHDEPHPLBA-QMMMGPOBSA-N -1 3 298.726 1.616 10 0 CDAEHM COC1(C[N-]S(=O)(=O)c2ccc(C)nn2)CCCC1 ZINC000867315837 725135544 /nfs/dbraw/zinc/13/55/44/725135544.db2.gz BVSSFFVYELEYFE-UHFFFAOYSA-N -1 3 285.369 1.023 10 0 CDAEHM CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(N)cc2[O-])C[C@H]1O ZINC000817999108 725144794 /nfs/dbraw/zinc/14/47/94/725144794.db2.gz MPVRPVPSHPWIMK-TZMCWYRMSA-N -1 3 292.379 1.844 10 0 CDAEHM NC(=O)CCCCC(=O)[N-]OCCC(F)(F)F ZINC000779840898 725155209 /nfs/dbraw/zinc/15/52/09/725155209.db2.gz GTOIOKNGLXQPJA-UHFFFAOYSA-N -1 3 256.224 1.032 10 0 CDAEHM CC[C@@H](O)CC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000837811632 725175188 /nfs/dbraw/zinc/17/51/88/725175188.db2.gz UPZHXXRLVHVZQQ-SECBINFHSA-N -1 3 292.291 1.646 10 0 CDAEHM O=C(NC[C@@H]1CCC2(CCC2)O1)c1c([O-])cccc1O ZINC000711414574 725216630 /nfs/dbraw/zinc/21/66/30/725216630.db2.gz MTFUSMLRACYGSR-JTQLQIEISA-N -1 3 277.320 1.929 10 0 CDAEHM Cc1[n-]ncc1S(=O)(=O)Oc1cnn(C(C)C)c1 ZINC000848463787 725227470 /nfs/dbraw/zinc/22/74/70/725227470.db2.gz NLEFUVPVASWVGV-UHFFFAOYSA-N -1 3 270.314 1.263 10 0 CDAEHM O=C([O-])C1(CNCc2cn(-c3ccccc3)nn2)CCC1 ZINC000854244548 725232401 /nfs/dbraw/zinc/23/24/01/725232401.db2.gz KKZRDDRTDYNMQL-UHFFFAOYSA-N -1 3 286.335 1.612 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCCOC(C)(C)C)nn1 ZINC000867515703 725233622 /nfs/dbraw/zinc/23/36/22/725233622.db2.gz ZNQYHGLTPZTWMT-UHFFFAOYSA-N -1 3 287.385 1.269 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](O)[C@H]2C)c1 ZINC000925027802 725252461 /nfs/dbraw/zinc/25/24/61/725252461.db2.gz TXLVYOWTJHINDZ-NOZJJQNGSA-N -1 3 292.335 1.336 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCC([C@@H](C)CO)CC2)n1 ZINC000844417421 725274034 /nfs/dbraw/zinc/27/40/34/725274034.db2.gz TWSNQCNWZRTLQB-JTQLQIEISA-N -1 3 265.357 1.331 10 0 CDAEHM CCOc1nnc(NC(=O)[C@H]2Cc3ccccc3S2)[n-]1 ZINC000228789371 725274868 /nfs/dbraw/zinc/27/48/68/725274868.db2.gz ZTLVDJGEMRAHGH-SNVBAGLBSA-N -1 3 290.348 1.859 10 0 CDAEHM CCOc1nc(NC(=O)[C@H]2Cc3ccccc3S2)n[n-]1 ZINC000228789371 725274874 /nfs/dbraw/zinc/27/48/74/725274874.db2.gz ZTLVDJGEMRAHGH-SNVBAGLBSA-N -1 3 290.348 1.859 10 0 CDAEHM CCOc1n[n-]c(NC(=O)[C@H]2Cc3ccccc3S2)n1 ZINC000228789371 725274878 /nfs/dbraw/zinc/27/48/78/725274878.db2.gz ZTLVDJGEMRAHGH-SNVBAGLBSA-N -1 3 290.348 1.859 10 0 CDAEHM C[C@@H]1CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)[C@H](C)CN1 ZINC000871668951 725296889 /nfs/dbraw/zinc/29/68/89/725296889.db2.gz CPMHPQIGKSNDPI-NEPGKVPFSA-N -1 3 278.308 1.200 10 0 CDAEHM COc1cc2c(cc1OC)c(=O)n(C13CC(C1)C3)[n-]c2=O ZINC000871958306 725300936 /nfs/dbraw/zinc/30/09/36/725300936.db2.gz CCCYIPKLXYLRBG-UHFFFAOYSA-N -1 3 288.303 1.628 10 0 CDAEHM O=S(=O)([N-][C@H](C1CCC1)[C@H]1CCOC1)c1ccco1 ZINC000867733817 725313549 /nfs/dbraw/zinc/31/35/49/725313549.db2.gz PQHYAQGYXNWBCQ-WCQYABFASA-N -1 3 285.365 1.763 10 0 CDAEHM C[C@H](O)[C@@H](O)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000871136035 725316890 /nfs/dbraw/zinc/31/68/90/725316890.db2.gz FCSBZKRSQIKBCC-XPTSAGLGSA-N -1 3 275.304 1.017 10 0 CDAEHM COc1ncc(Br)cc1C[N-]C(=O)C(F)F ZINC000862827130 725330894 /nfs/dbraw/zinc/33/08/94/725330894.db2.gz WJNOSNCTVAIHHV-UHFFFAOYSA-N -1 3 295.083 1.734 10 0 CDAEHM CC(C)[C@H](CO)O[N-]C(=O)C[C@H](O)CC(C)(C)C ZINC000836893824 725338251 /nfs/dbraw/zinc/33/82/51/725338251.db2.gz MVGFUEJGHNHWBD-QWRGUYRKSA-N -1 3 261.362 1.238 10 0 CDAEHM O=C([O-])c1cccc(CNC[C@@H]2CSCCS2)n1 ZINC000236485715 725390361 /nfs/dbraw/zinc/39/03/61/725390361.db2.gz RHKKWPGFIWBRFT-SNVBAGLBSA-N -1 3 284.406 1.718 10 0 CDAEHM Cc1ccc(C(=O)NC[C@H]2CCCN2C)cc1C(=O)[O-] ZINC000716504198 725407036 /nfs/dbraw/zinc/40/70/36/725407036.db2.gz CYKREKCSVQHARY-GFCCVEGCSA-N -1 3 276.336 1.517 10 0 CDAEHM O=C(NCc1cccc(F)n1)NCc1ncccc1[O-] ZINC000792144351 725408713 /nfs/dbraw/zinc/40/87/13/725408713.db2.gz ZASFNAKXBLNLBC-UHFFFAOYSA-N -1 3 276.271 1.321 10 0 CDAEHM Cc1ccccc1CS(=O)(=O)[N-]CC1(C)OCCCO1 ZINC000192223362 725414981 /nfs/dbraw/zinc/41/49/81/725414981.db2.gz FWEHGCYJWMYMTQ-UHFFFAOYSA-N -1 3 299.392 1.568 10 0 CDAEHM O=C1[N-]C(=O)/C(=C\N[C@H]2C[C@@H]2C(F)F)c2ccccc21 ZINC000804601950 725419069 /nfs/dbraw/zinc/41/90/69/725419069.db2.gz VIRMMUBKDFTDDF-KLFSZDKTSA-N -1 3 278.258 1.541 10 0 CDAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CCc1ccccc1 ZINC000866373426 725422720 /nfs/dbraw/zinc/42/27/20/725422720.db2.gz MZTOFSBBLMZDJW-QGZVFWFLSA-N -1 3 290.410 1.181 10 0 CDAEHM O=c1[n-]cnc2c1CN(c1ccc(N3CCCC3)nn1)CC2 ZINC000865631885 725526594 /nfs/dbraw/zinc/52/65/94/725526594.db2.gz KGQJOVJRKGOJKG-UHFFFAOYSA-N -1 3 298.350 1.135 10 0 CDAEHM CC1(C)CC[C@@H](C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)O1 ZINC000880514145 725533685 /nfs/dbraw/zinc/53/36/85/725533685.db2.gz QBDXNUUVNDOFMS-QMMMGPOBSA-N -1 3 283.353 1.045 10 0 CDAEHM CCO[N-]C(=O)CCc1cc(OC)c(O)c(OC)c1 ZINC000820524053 725598599 /nfs/dbraw/zinc/59/85/99/725598599.db2.gz YFMUDALHHHKZIY-UHFFFAOYSA-N -1 3 269.297 1.410 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCC[C@@H]2c2ncccn2)n1 ZINC000878976196 725692568 /nfs/dbraw/zinc/69/25/68/725692568.db2.gz QAYXTXVXPVWNNP-LLVKDONJSA-N -1 3 271.324 1.618 10 0 CDAEHM Cn1cc(S(=O)(=O)[N-]C(C)(C)C)c(Br)n1 ZINC000866378413 725693343 /nfs/dbraw/zinc/69/33/43/725693343.db2.gz PYLXZGASQKMONF-UHFFFAOYSA-N -1 3 296.190 1.259 10 0 CDAEHM COC(=O)c1cc(C(=O)OC[C@H]2CC(C)(C)CO2)c[n-]1 ZINC000869525349 725947233 /nfs/dbraw/zinc/94/72/33/725947233.db2.gz LMLGRPLZPVLKLP-SNVBAGLBSA-N -1 3 281.308 1.773 10 0 CDAEHM CON1CCC(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000854290635 725949128 /nfs/dbraw/zinc/94/91/28/725949128.db2.gz YMSQOGAEKGZAEY-UHFFFAOYSA-N -1 3 278.352 1.898 10 0 CDAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CC2CCC1CC2 ZINC000866983775 725963258 /nfs/dbraw/zinc/96/32/58/725963258.db2.gz NYZRENGALNAQAO-SGYVYCRESA-N -1 3 294.442 1.517 10 0 CDAEHM Cc1cccnc1C(F)(F)C(=O)NCc1ncccc1[O-] ZINC000792622031 725985117 /nfs/dbraw/zinc/98/51/17/725985117.db2.gz XWXBCMABLFEIRT-UHFFFAOYSA-N -1 3 293.273 1.899 10 0 CDAEHM CC(C)[C@@H](F)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000812385469 726000218 /nfs/dbraw/zinc/00/02/18/726000218.db2.gz XEKFTDCCTTWKSU-GFCCVEGCSA-N -1 3 295.314 1.515 10 0 CDAEHM CCC(C)(CC)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001632758857 1166375263 /nfs/dbraw/zinc/37/52/63/1166375263.db2.gz WVQQQTWAXKPUEF-SNVBAGLBSA-N -1 3 253.346 1.441 10 0 CDAEHM O=C(Nc1ccc2cncn2c1)c1c[n-]ncc1=O ZINC001645638279 1167447471 /nfs/dbraw/zinc/44/74/71/1167447471.db2.gz DYOPMHUBLBEWKE-UHFFFAOYSA-N -1 3 255.237 1.082 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)Cc2ccccc2)[n-]1 ZINC001646047419 1167622691 /nfs/dbraw/zinc/62/26/91/1167622691.db2.gz UHCNIAWEYLOZQT-UHFFFAOYSA-N -1 3 273.292 1.768 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CC(C)(C)OC(=O)c1nn[n-]c1-c1cnsc1 ZINC000725266420 538456525 /nfs/dbraw/zinc/45/65/25/538456525.db2.gz WELNYMAPWRFPJL-UHFFFAOYSA-N -1 3 252.299 1.884 10 0 CDAEHM CC(C)(C)OC(=O)c1[n-]nnc1-c1cnsc1 ZINC000725266420 538456526 /nfs/dbraw/zinc/45/65/26/538456526.db2.gz WELNYMAPWRFPJL-UHFFFAOYSA-N -1 3 252.299 1.884 10 0 CDAEHM CC(C)(C)OC(=O)c1n[n-]nc1-c1cnsc1 ZINC000725266420 538456527 /nfs/dbraw/zinc/45/65/27/538456527.db2.gz WELNYMAPWRFPJL-UHFFFAOYSA-N -1 3 252.299 1.884 10 0 CDAEHM O=C1[N-]N(c2cc(F)cc(F)c2F)C(=O)[C@H]2CCC[C@H]12 ZINC000634633363 356607108 /nfs/dbraw/zinc/60/71/08/356607108.db2.gz TWJBAPIGOQVSAN-YUMQZZPRSA-N -1 3 284.237 1.898 10 0 CDAEHM CCN1CCC[C@H](n2nnc3c2C[C@@H](C(=O)[O-])CC3)C1 ZINC000584883042 356667203 /nfs/dbraw/zinc/66/72/03/356667203.db2.gz FJGORYPWXUVOAG-QWRGUYRKSA-N -1 3 278.356 1.124 10 0 CDAEHM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1nc(CC2CC2)no1 ZINC000634693493 357112062 /nfs/dbraw/zinc/11/20/62/357112062.db2.gz YPNVTASZYLVKCJ-WDMOLILDSA-N -1 3 291.351 1.707 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291.413 1.146 10 0 CDAEHM Cc1cnc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c([O-])c1 ZINC000408228616 358451770 /nfs/dbraw/zinc/45/17/70/358451770.db2.gz JCGJMPHXFVIMGY-NEPJUHHUSA-N -1 3 277.368 1.650 10 0 CDAEHM COC(=O)CN(Cc1nc(C)ccc1[O-])C(C)C ZINC000093287012 358597609 /nfs/dbraw/zinc/59/76/09/358597609.db2.gz ILGZXJKGVWOEHP-UHFFFAOYSA-N -1 3 252.314 1.479 10 0 CDAEHM Cc1ccc(C(=O)NC[C@]2(CCO)CCOC2)c([O-])c1 ZINC000119561139 358687184 /nfs/dbraw/zinc/68/71/84/358687184.db2.gz PMAOHKPOMSQXNU-HNNXBMFYSA-N -1 3 279.336 1.220 10 0 CDAEHM COc1cccc(C(=O)N2CCCN(C(C)=O)CC2)c1[O-] ZINC000049933962 359523662 /nfs/dbraw/zinc/52/36/62/359523662.db2.gz DJRWTGSTNLQMOW-UHFFFAOYSA-N -1 3 292.335 1.095 10 0 CDAEHM O=S(=O)([N-]CC1(CCO)CC1)c1ccccc1F ZINC000157278201 237095993 /nfs/dbraw/zinc/09/59/93/237095993.db2.gz FSYQJVRJGXDVIO-UHFFFAOYSA-N -1 3 273.329 1.267 10 0 CDAEHM Cc1cccnc1CC[N-]C(=O)C(F)(F)C(F)F ZINC000297044483 200069760 /nfs/dbraw/zinc/06/97/60/200069760.db2.gz OODCJAOEOFQULV-UHFFFAOYSA-N -1 3 264.222 1.949 10 0 CDAEHM COc1ccc(CNCCOCC(=O)[O-])cc1F ZINC000310724011 359675336 /nfs/dbraw/zinc/67/53/36/359675336.db2.gz BKYNTKGDHFFELB-UHFFFAOYSA-N -1 3 257.261 1.025 10 0 CDAEHM Cc1ccc([O-])c(CN2CC[S@](=O)C[C@@H](C)C2)n1 ZINC000277607647 366545093 /nfs/dbraw/zinc/54/50/93/366545093.db2.gz WDXTXJLOLHPEON-YPMLDQLKSA-N -1 3 268.382 1.296 10 0 CDAEHM Cc1sccc1C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297784117 200281005 /nfs/dbraw/zinc/28/10/05/200281005.db2.gz QXDZYRGYTDTJQT-UHFFFAOYSA-N -1 3 291.336 1.319 10 0 CDAEHM Cc1sccc1C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297784117 200281007 /nfs/dbraw/zinc/28/10/07/200281007.db2.gz QXDZYRGYTDTJQT-UHFFFAOYSA-N -1 3 291.336 1.319 10 0 CDAEHM Cc1sccc1C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297784117 200281008 /nfs/dbraw/zinc/28/10/08/200281008.db2.gz QXDZYRGYTDTJQT-UHFFFAOYSA-N -1 3 291.336 1.319 10 0 CDAEHM [O-]c1ccccc1-c1nc([C@@H]2CN3CCN2CC3)no1 ZINC000094511906 360144803 /nfs/dbraw/zinc/14/48/03/360144803.db2.gz IJRLKJUBKBEPPW-NSHDSACASA-N -1 3 272.308 1.115 10 0 CDAEHM O=S(=O)([N-]C[C@H]1CC=CCC1)c1cscn1 ZINC000335464937 360217450 /nfs/dbraw/zinc/21/74/50/360217450.db2.gz XWBKLTKJPUYECE-VIFPVBQESA-N -1 3 258.368 1.778 10 0 CDAEHM O=C([O-])c1ccccc1[C@@H]1CCN(CCO)CCO1 ZINC000616595597 360384772 /nfs/dbraw/zinc/38/47/72/360384772.db2.gz XEDSYXYUPKMWSH-ZDUSSCGKSA-N -1 3 265.309 1.141 10 0 CDAEHM C[C@@H]1CCN(Cc2cccc(C(N)=O)c2)C[C@H]1C(=O)[O-] ZINC000516063372 360557851 /nfs/dbraw/zinc/55/78/51/360557851.db2.gz PDKONYVPTRZYGD-ZWNOBZJWSA-N -1 3 276.336 1.328 10 0 CDAEHM O=C(NC[C@@H](CO)c1ccccc1)c1ccccc1[O-] ZINC000176470176 238217790 /nfs/dbraw/zinc/21/77/90/238217790.db2.gz YQHWWJNCSBRSMB-ZDUSSCGKSA-N -1 3 271.316 1.898 10 0 CDAEHM CCCc1nc(=NC(=O)N[C@@H]2CCN(C)[C@H](C)C2)s[n-]1 ZINC000350859568 361270695 /nfs/dbraw/zinc/27/06/95/361270695.db2.gz BESQOHXCLKDHLA-NXEZZACHSA-N -1 3 297.428 1.517 10 0 CDAEHM CCCc1nc(=NC(=O)N(C)CCN(C)C2CC2)s[n-]1 ZINC000350871426 361305957 /nfs/dbraw/zinc/30/59/57/361305957.db2.gz UTTKHOILVAZTHR-UHFFFAOYSA-N -1 3 297.428 1.470 10 0 CDAEHM Cc1ccc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000519548056 361346728 /nfs/dbraw/zinc/34/67/28/361346728.db2.gz NSGCEPSFFRFYQT-LBPRGKRZSA-N -1 3 285.351 1.513 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000182509259 189325827 /nfs/dbraw/zinc/32/58/27/189325827.db2.gz RQSKRPSNCBGLGP-ZDUSSCGKSA-N -1 3 290.363 1.187 10 0 CDAEHM C/C=C/CNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000629042879 361438827 /nfs/dbraw/zinc/43/88/27/361438827.db2.gz KMVDKRFTZFWLEY-ONEGZZNKSA-N -1 3 286.328 1.503 10 0 CDAEHM Cc1cccc(C(=O)NC[C@@H](CO)c2cccnc2)c1[O-] ZINC000436735767 361566614 /nfs/dbraw/zinc/56/66/14/361566614.db2.gz DKHPYPOZUIDZAT-ZDUSSCGKSA-N -1 3 286.331 1.602 10 0 CDAEHM CCCCn1c(=O)[n-]nc1SCCc1cn(C)nn1 ZINC000629101447 361531455 /nfs/dbraw/zinc/53/14/55/361531455.db2.gz VEZRKFPGCHHDFU-UHFFFAOYSA-N -1 3 282.373 1.247 10 0 CDAEHM COc1cc(C(=O)N[C@@H]2CC[C@H](OC)C2)cc(OC)c1[O-] ZINC000436891421 361601059 /nfs/dbraw/zinc/60/10/59/361601059.db2.gz FYKJEZLJXZBZCT-MNOVXSKESA-N -1 3 295.335 1.707 10 0 CDAEHM Cc1cccc(C(=O)NCc2ncccc2[O-])c1O ZINC000436997327 361635332 /nfs/dbraw/zinc/63/53/32/361635332.db2.gz FIYGRLLBCVLDOK-UHFFFAOYSA-N -1 3 258.277 1.731 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-]C[C@@H](C)CC(F)F)cn1C ZINC000645795511 361705770 /nfs/dbraw/zinc/70/57/70/361705770.db2.gz ANZZDZJRWQMDHT-ZETCQYMHSA-N -1 3 281.328 1.298 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N2CCN(CCO)C[C@H]2C)c1 ZINC000457110755 363914817 /nfs/dbraw/zinc/91/48/17/363914817.db2.gz ZKEMQAZJZKNYAG-GFCCVEGCSA-N -1 3 292.379 1.093 10 0 CDAEHM COCc1nc(SCOC(=O)c2ccccc2)n[n-]1 ZINC000268469167 364053414 /nfs/dbraw/zinc/05/34/14/364053414.db2.gz HJKDXIYPDVTUJK-UHFFFAOYSA-N -1 3 279.321 1.858 10 0 CDAEHM C[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000270253712 364520400 /nfs/dbraw/zinc/52/04/00/364520400.db2.gz YLMYIDVPMFQELM-JGVFFNPUSA-N -1 3 295.763 1.774 10 0 CDAEHM CC(C)n1ncnc1C[N-]S(=O)(=O)c1ccccc1F ZINC000357243480 366857639 /nfs/dbraw/zinc/85/76/39/366857639.db2.gz XTKMCVKVVNNHIZ-UHFFFAOYSA-N -1 3 298.343 1.477 10 0 CDAEHM CCN1CCCC[C@H]1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352994814 364700816 /nfs/dbraw/zinc/70/08/16/364700816.db2.gz VKLNVLWMSYNJLJ-STQMWFEESA-N -1 3 292.383 1.496 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)N1CCN(C2CC2)CC1 ZINC000163787937 364765040 /nfs/dbraw/zinc/76/50/40/364765040.db2.gz CHXRBXJHAHVAPP-UHFFFAOYSA-N -1 3 293.342 1.521 10 0 CDAEHM Cc1cccc2c(=O)c(C(=O)N3CC(CO)C3)c[n-]c12 ZINC000166399132 364904093 /nfs/dbraw/zinc/90/40/93/364904093.db2.gz ACROSENZAPRDHX-UHFFFAOYSA-N -1 3 272.304 1.313 10 0 CDAEHM O=C(NCCc1nccs1)NCc1ncccc1[O-] ZINC000471771541 364975186 /nfs/dbraw/zinc/97/51/86/364975186.db2.gz PNWIFUMVSGAPPN-UHFFFAOYSA-N -1 3 278.337 1.286 10 0 CDAEHM O=S(=O)(C[C@H]1CCCCO1)[N-][C@@H]1COc2ccccc21 ZINC000171091806 365203632 /nfs/dbraw/zinc/20/36/32/365203632.db2.gz RLFTVRBWKIWVPJ-DGCLKSJQSA-N -1 3 297.376 1.609 10 0 CDAEHM Cc1nc(CN(C)C(=O)c2c([O-])cccc2O)no1 ZINC000272688651 365351253 /nfs/dbraw/zinc/35/12/53/365351253.db2.gz OXOJFAXYEBCFSL-UHFFFAOYSA-N -1 3 263.253 1.061 10 0 CDAEHM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cscn1 ZINC000575985081 317051601 /nfs/dbraw/zinc/05/16/01/317051601.db2.gz ZURHUYKDVIVBTD-QMMMGPOBSA-N -1 3 278.399 1.219 10 0 CDAEHM Cc1ccc(C(=O)NCc2ncnn2C(C)C)c([O-])c1 ZINC000280723908 367505390 /nfs/dbraw/zinc/50/53/90/367505390.db2.gz HUQFRWXTFOZSKE-UHFFFAOYSA-N -1 3 274.324 1.803 10 0 CDAEHM CC[C@@H](CNC(=O)NCc1ncccc1[O-])OC ZINC000358341833 367617764 /nfs/dbraw/zinc/61/77/64/367617764.db2.gz QYRAQGGKDPRXFT-VIFPVBQESA-N -1 3 253.302 1.011 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-]CC1CC=CC1 ZINC000528470445 367855016 /nfs/dbraw/zinc/85/50/16/367855016.db2.gz RMNCHNAKYBMYDC-UHFFFAOYSA-N -1 3 282.365 1.725 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@]23C[C@H]2COC3(C)C)o1 ZINC000528488303 367859448 /nfs/dbraw/zinc/85/94/48/367859448.db2.gz AWGVCWZUZVSIGF-JOYOIKCWSA-N -1 3 271.338 1.434 10 0 CDAEHM Cn1ccc(S(=O)(=O)[N-]CC[C@H]2CCCC2(C)C)n1 ZINC000528443192 367844717 /nfs/dbraw/zinc/84/47/17/367844717.db2.gz HXOFARPBCXSVTR-LLVKDONJSA-N -1 3 285.413 1.915 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1ccccn1 ZINC000528544328 367890231 /nfs/dbraw/zinc/89/02/31/367890231.db2.gz OMDTVBJEORZBKW-UXCLJVHYSA-N -1 3 270.354 1.172 10 0 CDAEHM CC[C@@](C)(OC)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000360318966 368229942 /nfs/dbraw/zinc/22/99/42/368229942.db2.gz UNIMMXFCEYJUCR-GXFFZTMASA-N -1 3 267.329 1.437 10 0 CDAEHM C[C@@H]1C[C@H](NC(=O)N=c2ncn(C(C)(C)C)[n-]2)CCN1C ZINC000541507351 368639157 /nfs/dbraw/zinc/63/91/57/368639157.db2.gz XBYLIDKOQVDWNH-GHMZBOCLSA-N -1 3 294.403 1.059 10 0 CDAEHM CCC[C@@H](C)CC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000567183411 370906803 /nfs/dbraw/zinc/90/68/03/370906803.db2.gz SVNVYNJNXTZBKK-GHMZBOCLSA-N -1 3 279.388 1.717 10 0 CDAEHM CN(C)c1nc(C(=O)Nc2cc(F)ccc2O)cc(=O)[n-]1 ZINC000361488997 368847624 /nfs/dbraw/zinc/84/76/24/368847624.db2.gz RUVBEKILOMHONQ-UHFFFAOYSA-N -1 3 292.270 1.345 10 0 CDAEHM C[C@@H]1CCCCN1CCNc1ncc(C(=O)[O-])s1 ZINC000630457258 368992853 /nfs/dbraw/zinc/99/28/53/368992853.db2.gz UWMNEFKNEVWDCN-SECBINFHSA-N -1 3 269.370 1.550 10 0 CDAEHM Cc1ccc(C(=O)NC[C@H]2CN(C3CC3)CCO2)c([O-])c1 ZINC000115164564 369149086 /nfs/dbraw/zinc/14/90/86/369149086.db2.gz MNLSZYXHDGREFT-ZDUSSCGKSA-N -1 3 290.363 1.294 10 0 CDAEHM O=C([N-]Cc1cccnn1)C(F)(F)C1(O)CCCCC1 ZINC000287833415 369325079 /nfs/dbraw/zinc/32/50/79/369325079.db2.gz CFYTVKLPZHRDRB-UHFFFAOYSA-N -1 3 285.294 1.423 10 0 CDAEHM COc1cc(=NC(=O)[C@@H](C)Sc2ccccn2)[n-]n1C ZINC000547492815 369568360 /nfs/dbraw/zinc/56/83/60/369568360.db2.gz GVWRMHNGGZGBIG-SECBINFHSA-N -1 3 292.364 1.365 10 0 CDAEHM COc1cc(=NC(=O)C[C@@H]2CCC[C@@H]2C)[n-]n1C ZINC000547495153 369570242 /nfs/dbraw/zinc/57/02/42/369570242.db2.gz RXLLMCFFORXAPR-UWVGGRQHSA-N -1 3 251.330 1.615 10 0 CDAEHM COCc1nc(C(=O)[N-]c2nc(C(C)=O)cs2)co1 ZINC000547540682 369583154 /nfs/dbraw/zinc/58/31/54/369583154.db2.gz IECPVVIBZBOVIQ-UHFFFAOYSA-N -1 3 281.293 1.732 10 0 CDAEHM CO[C@@H](C)CS(=O)(=O)[N-]Cc1cnc(Cl)s1 ZINC000289807753 369671334 /nfs/dbraw/zinc/67/13/34/369671334.db2.gz JXEFMIYXMUHRMQ-LURJTMIESA-N -1 3 284.790 1.251 10 0 CDAEHM COc1cc(=NC(=O)NC2CCCCCC2)[n-]n1C ZINC000547838869 369665628 /nfs/dbraw/zinc/66/56/28/369665628.db2.gz PQDMEYFANPVTJA-UHFFFAOYSA-N -1 3 266.345 1.695 10 0 CDAEHM COc1cc(=NC(=O)N2CCCC[C@@H](SC)C2)[n-]n1C ZINC000548495277 369878613 /nfs/dbraw/zinc/87/86/13/369878613.db2.gz GURPRJJOODXUDR-SNVBAGLBSA-N -1 3 298.412 1.600 10 0 CDAEHM CCNC(=O)[C@@H](NCc1nc(C)ccc1[O-])C(C)C ZINC000293077535 370507335 /nfs/dbraw/zinc/50/73/35/370507335.db2.gz VYSRBDFGRAJYQV-ZDUSSCGKSA-N -1 3 265.357 1.346 10 0 CDAEHM CC(C)n1cnnc1CN(C)C(=O)c1cccc([O-])c1 ZINC000294214486 370998661 /nfs/dbraw/zinc/99/86/61/370998661.db2.gz YLDTUJFHHQPTFQ-UHFFFAOYSA-N -1 3 274.324 1.837 10 0 CDAEHM Cc1c(CN(C)[C@@H](C)c2nc(C)cc(=O)[n-]2)cnn1C ZINC000567557027 371032081 /nfs/dbraw/zinc/03/20/81/371032081.db2.gz SGYPUNOVIFGKCZ-NSHDSACASA-N -1 3 275.356 1.726 10 0 CDAEHM CC[C@H](C)[C@H](C[N-]S(=O)(=O)Cc1cc(C)on1)OC ZINC000295199763 371146065 /nfs/dbraw/zinc/14/60/65/371146065.db2.gz FBTDFQKDATYLOO-CABZTGNLSA-N -1 3 290.385 1.464 10 0 CDAEHM COc1ccc(C(=O)N2CCC[C@@H](O)[C@@H]2C)c([O-])c1 ZINC000295966811 371404549 /nfs/dbraw/zinc/40/45/49/371404549.db2.gz HUSREKLKVKUWSM-JOYOIKCWSA-N -1 3 265.309 1.386 10 0 CDAEHM CC[C@@H](NC(=O)c1ccc(O)cc1[O-])[C@@H](O)C(F)F ZINC000295773218 371448680 /nfs/dbraw/zinc/44/86/80/371448680.db2.gz CSOGHGLWDLXIMQ-PSASIEDQSA-N -1 3 275.251 1.232 10 0 CDAEHM CSCCCCC[N-]S(=O)(=O)c1cscn1 ZINC000573202947 371460586 /nfs/dbraw/zinc/46/05/86/371460586.db2.gz QIFUVPQQZQHQPL-UHFFFAOYSA-N -1 3 280.440 1.955 10 0 CDAEHM CSc1nnc(NC(=O)c2ccc(N3CCC3)nc2)[n-]1 ZINC000573315763 371497282 /nfs/dbraw/zinc/49/72/82/371497282.db2.gz HGNNLLTVZDBLAR-UHFFFAOYSA-N -1 3 290.352 1.384 10 0 CDAEHM CSc1n[n-]c(NC(=O)c2ccc(N3CCC3)nc2)n1 ZINC000573315763 371497284 /nfs/dbraw/zinc/49/72/84/371497284.db2.gz HGNNLLTVZDBLAR-UHFFFAOYSA-N -1 3 290.352 1.384 10 0 CDAEHM CSc1nc(NC(=O)c2ccc(N3CCC3)nc2)n[n-]1 ZINC000573315763 371497285 /nfs/dbraw/zinc/49/72/85/371497285.db2.gz HGNNLLTVZDBLAR-UHFFFAOYSA-N -1 3 290.352 1.384 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)C1CC1 ZINC000333133153 205058525 /nfs/dbraw/zinc/05/85/25/205058525.db2.gz IDMPPIRURZWUCN-VHSXEESVSA-N -1 3 283.397 1.857 10 0 CDAEHM COc1ncc(CN2[C@H](C)[C@H](C(=O)[O-])CC[C@@H]2C)c(C)n1 ZINC000580964293 372767697 /nfs/dbraw/zinc/76/76/97/372767697.db2.gz WFGUPSWILPCTAD-UFGOTCBOSA-N -1 3 293.367 1.867 10 0 CDAEHM COc1ccc(C(=O)NC[C@@H]2CCCN2C)c([O-])c1 ZINC000049096746 372908743 /nfs/dbraw/zinc/90/87/43/372908743.db2.gz AJORJYWZVPESGU-JTQLQIEISA-N -1 3 264.325 1.225 10 0 CDAEHM CCCc1ccc(-c2cc(=NC(=O)[C@H]3CCN3)[nH][n-]2)cc1 ZINC000581546170 373081694 /nfs/dbraw/zinc/08/16/94/373081694.db2.gz YMFMGNOCYVJRMG-CYBMUJFWSA-N -1 3 284.363 1.752 10 0 CDAEHM C[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2[O-])[C@H](C)O1 ZINC000384844068 373199067 /nfs/dbraw/zinc/19/90/67/373199067.db2.gz 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ZINC000652671788 412863010 /nfs/dbraw/zinc/86/30/10/412863010.db2.gz NQPBJIOIZRABOJ-UHFFFAOYSA-N -1 3 261.321 1.769 10 0 CDAEHM O=S(=O)(c1ncc[n-]1)N1CCCC[C@H](N2CCCC2)C1 ZINC000631923192 376813283 /nfs/dbraw/zinc/81/32/83/376813283.db2.gz OYYSNYJPTCVXJA-LBPRGKRZSA-N -1 3 298.412 1.049 10 0 CDAEHM CCOC(C)(C)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000331302907 376905192 /nfs/dbraw/zinc/90/51/92/376905192.db2.gz VRQRBBRMLGRVPU-UHFFFAOYSA-N -1 3 261.343 1.681 10 0 CDAEHM CO[C@H](C[N-]S(=O)(=O)c1c[nH]c(=O)s1)C(C)(C)C ZINC000632055877 376957988 /nfs/dbraw/zinc/95/79/88/376957988.db2.gz KJXOLLUAJYKEGP-SSDOTTSWSA-N -1 3 294.398 1.188 10 0 CDAEHM CCc1[n-][nH]c(=NC(=O)[C@H]2Cc3cccc(C)c3O2)c1C ZINC000334651917 377215917 /nfs/dbraw/zinc/21/59/17/377215917.db2.gz HCTUKMGVYSLUCN-CYBMUJFWSA-N -1 3 285.347 1.953 10 0 CDAEHM COc1ccc(C(=O)N(C)[C@@H]2CCOC2)c([O-])c1 ZINC000096810568 295079330 /nfs/dbraw/zinc/07/93/30/295079330.db2.gz LUCTXTJGJIQQRX-SECBINFHSA-N -1 3 251.282 1.262 10 0 CDAEHM 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O=C(Cc1ccc([O-])c(F)c1)N1CC(C2CCOCC2)C1 ZINC000649959744 398060676 /nfs/dbraw/zinc/06/06/76/398060676.db2.gz XECXQUPAKUOZOB-UHFFFAOYSA-N -1 3 293.338 1.959 10 0 CDAEHM COc1cc(=NC(=O)[C@@H]2C[C@@H]2C2CCCC2)[n-]n1C ZINC000649936769 398051421 /nfs/dbraw/zinc/05/14/21/398051421.db2.gz HQFZOUHLWSBJBU-GHMZBOCLSA-N -1 3 263.341 1.615 10 0 CDAEHM CCC(C)(C)[C@@H]1CCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000091076692 146969428 /nfs/dbraw/zinc/96/94/28/146969428.db2.gz BYGRTVYRBNUCML-UWVGGRQHSA-N -1 3 281.356 1.012 10 0 CDAEHM CCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000101681645 147137116 /nfs/dbraw/zinc/13/71/16/147137116.db2.gz DUBKCDIRRBSVCG-LBPRGKRZSA-N -1 3 276.336 1.475 10 0 CDAEHM CCOc1nccc(C)c1C(=O)NCc1ncccc1[O-] ZINC000352502087 155232661 /nfs/dbraw/zinc/23/26/61/155232661.db2.gz QUROFFMOGZBWSK-UHFFFAOYSA-N -1 3 287.319 1.819 10 0 CDAEHM COc1ccc(O)cc1C(=O)NCc1ncccc1[O-] ZINC000352506112 155233871 /nfs/dbraw/zinc/23/38/71/155233871.db2.gz DKIMEMXILRDXGO-UHFFFAOYSA-N -1 3 274.276 1.431 10 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CDAEHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCC12CCC2 ZINC000336158182 151321110 /nfs/dbraw/zinc/32/11/10/151321110.db2.gz QKWXIEVDQPACLB-UHFFFAOYSA-N -1 3 274.320 1.277 10 0 CDAEHM CCCCN(C)S(=O)(=O)[N-]Cc1noc(C2CC2)n1 ZINC000343103888 152032178 /nfs/dbraw/zinc/03/21/78/152032178.db2.gz PJVSEQSARYRREV-UHFFFAOYSA-N -1 3 288.373 1.013 10 0 CDAEHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1cncc(F)c1 ZINC000345663899 152907542 /nfs/dbraw/zinc/90/75/42/152907542.db2.gz KTWDKYKZOKLLRN-UHFFFAOYSA-N -1 3 283.266 1.680 10 0 CDAEHM COC(=O)c1coc(C(=O)[N-]c2ccnnc2OC)c1 ZINC000346469916 153200618 /nfs/dbraw/zinc/20/06/18/153200618.db2.gz HLLYOYHTWZCSNL-UHFFFAOYSA-N -1 3 277.236 1.117 10 0 CDAEHM O=C(NCc1ncccc1[O-])Nc1cccc2c1OCO2 ZINC000346903471 153343608 /nfs/dbraw/zinc/34/36/08/153343608.db2.gz HNRQJZOULQZQJZ-UHFFFAOYSA-N -1 3 287.275 1.838 10 0 CDAEHM CC(C)OCCNC(=O)NCc1ncccc1[O-] ZINC000349900658 154264356 /nfs/dbraw/zinc/26/43/56/154264356.db2.gz ZSJIEJZGJCVNNZ-UHFFFAOYSA-N -1 3 253.302 1.011 10 0 CDAEHM CC1(C)CC[C@@H](CNC(=O)NCc2ncccc2[O-])O1 ZINC000349906146 154266397 /nfs/dbraw/zinc/26/63/97/154266397.db2.gz GQLRZTJEJBBJOV-JTQLQIEISA-N -1 3 279.340 1.544 10 0 CDAEHM COCc1nc(SCC(=O)NC2CCCCC2)n[n-]1 ZINC000353789601 156086560 /nfs/dbraw/zinc/08/65/60/156086560.db2.gz GKQZUQXEVQTDQT-UHFFFAOYSA-N -1 3 284.385 1.492 10 0 CDAEHM CCCn1c(=O)[n-]nc1S[C@@H](CC)C(=O)OC ZINC000358870029 158059281 /nfs/dbraw/zinc/05/92/81/158059281.db2.gz GXBIGAWIZPBVOU-ZETCQYMHSA-N -1 3 259.331 1.437 10 0 CDAEHM Cc1ccc([O-])c(CN(C)[C@H](C)C(=O)NC(C)(C)C)n1 ZINC000362524093 159169106 /nfs/dbraw/zinc/16/91/06/159169106.db2.gz HJYAISZDMBIRFT-LLVKDONJSA-N -1 3 279.384 1.831 10 0 CDAEHM COc1cccc(C(=O)N2CC(F)(F)C[C@@H]2CO)c1[O-] ZINC000372500669 160126810 /nfs/dbraw/zinc/12/68/10/160126810.db2.gz DMLDQFJMSHVNRH-MRVPVSSYSA-N -1 3 287.262 1.243 10 0 CDAEHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC(n2ccnn2)C1 ZINC000373262040 160187057 /nfs/dbraw/zinc/18/70/57/160187057.db2.gz ZUKQYYUOVRVBKU-UHFFFAOYSA-N -1 3 298.346 1.560 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CCOCC[C@@H]2C)c1 ZINC000375006539 160332995 /nfs/dbraw/zinc/33/29/95/160332995.db2.gz VFMJILUCYFIWCJ-JTQLQIEISA-N -1 3 265.309 1.652 10 0 CDAEHM O=c1[n-]c(C2CCN(C[C@H](O)CC(F)(F)F)CC2)n[nH]1 ZINC000375083427 160344069 /nfs/dbraw/zinc/34/40/69/160344069.db2.gz DPFGZZBBQXONAI-MRVPVSSYSA-N -1 3 294.277 1.003 10 0 CDAEHM NCc1cc(=O)[n-]c(CNC(=O)[C@H]2C[C@@H]2C2CCCC2)n1 ZINC000662749482 413428103 /nfs/dbraw/zinc/42/81/03/413428103.db2.gz INAJTCVNUYOTSE-NEPJUHHUSA-N -1 3 290.367 1.083 10 0 CDAEHM Cc1noc(C)c1CN1CCC(c2n[n-]c(=O)o2)CC1 ZINC000284364216 196040246 /nfs/dbraw/zinc/04/02/46/196040246.db2.gz TUXJKXMCZDLLOO-UHFFFAOYSA-N -1 3 278.312 1.347 10 0 CDAEHM O=S(=O)([N-]CC[C@H]1CNc2ccccc21)C(F)F ZINC000020082788 170986811 /nfs/dbraw/zinc/98/68/11/170986811.db2.gz ZWEVIJXRAKJQBX-QMMMGPOBSA-N -1 3 276.308 1.728 10 0 CDAEHM CCOC(=O)C1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000020304763 171141096 /nfs/dbraw/zinc/14/10/96/171141096.db2.gz JHIJTAUHDLDMBJ-UHFFFAOYSA-N -1 3 277.320 1.808 10 0 CDAEHM CCOc1ccc(C(C)=O)cc1CNCCC(=O)[O-] ZINC000035385997 172168304 /nfs/dbraw/zinc/16/83/04/172168304.db2.gz AWVLWHFHALJNEL-UHFFFAOYSA-N -1 3 265.309 1.852 10 0 CDAEHM CCN(C(=O)CNCCC(=O)[O-])c1ccc(F)cc1 ZINC000035386100 172168369 /nfs/dbraw/zinc/16/83/69/172168369.db2.gz ZISCBDWLGZGTQD-UHFFFAOYSA-N -1 3 268.288 1.243 10 0 CDAEHM CC(C)[C@@H](N[C@H](C)C(=O)NC1CCCC1)C(=O)[O-] ZINC000035391066 172174364 /nfs/dbraw/zinc/17/43/64/172174364.db2.gz AKHOROOBCKLUTJ-MWLCHTKSSA-N -1 3 256.346 1.133 10 0 CDAEHM C[C@@H](O)c1cccc(S(=O)(=O)[N-]CC(F)(F)F)c1 ZINC000035634413 172318867 /nfs/dbraw/zinc/31/88/67/172318867.db2.gz SGLBMOWDGCXEBD-SSDOTTSWSA-N -1 3 283.271 1.581 10 0 CDAEHM COC[C@H](CN1CCc2cccc(C(=O)[O-])c2C1)OC ZINC000656756927 413637437 /nfs/dbraw/zinc/63/74/37/413637437.db2.gz OTUVAANZAHWBBG-LBPRGKRZSA-N -1 3 279.336 1.404 10 0 CDAEHM CO[C@@H]1CC[C@H](c2nc(-c3cc(=O)[n-]cn3)no2)C1 ZINC000664909802 413728914 /nfs/dbraw/zinc/72/89/14/413728914.db2.gz AFMRYKAXWZHQAI-JGVFFNPUSA-N -1 3 262.269 1.515 10 0 CDAEHM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)C[C@@H](N)Cc1ccccc1 ZINC000656856885 413762154 /nfs/dbraw/zinc/76/21/54/413762154.db2.gz UHAMOHSHRADJQG-KWCYVHTRSA-N -1 3 290.363 1.411 10 0 CDAEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)cs2)C1 ZINC000657106133 413938224 /nfs/dbraw/zinc/93/82/24/413938224.db2.gz JEOIAQBIENFJSU-MGCOHNPYSA-N -1 3 275.395 1.902 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-]CCc1cnccc1C ZINC000657082406 413900613 /nfs/dbraw/zinc/90/06/13/413900613.db2.gz OGYDQFCJJJREFE-UHFFFAOYSA-N -1 3 295.364 1.516 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-][C@H]2C[C@H](O)C23CCC3)c1 ZINC000657188759 414025899 /nfs/dbraw/zinc/02/58/99/414025899.db2.gz SIMVHTXGACIUAH-UWVGGRQHSA-N -1 3 287.406 1.638 10 0 CDAEHM CC[C@H]1CN(CC(=O)c2cc(F)ccc2[O-])CCO1 ZINC000037338512 173139381 /nfs/dbraw/zinc/13/93/81/173139381.db2.gz NLZOJEGPRXFGMQ-NSHDSACASA-N -1 3 267.300 1.825 10 0 CDAEHM COc1cc(OC)c([C@H](C(=O)[O-])N(C)C)cc1OC ZINC000037358405 173148174 /nfs/dbraw/zinc/14/81/74/173148174.db2.gz PHUJKVKCHXVOMU-GFCCVEGCSA-N -1 3 269.297 1.400 10 0 CDAEHM CCCn1cc(S(=O)(=O)[N-][C@@H](C)C(C)C)c(N)n1 ZINC000037558743 173269798 /nfs/dbraw/zinc/26/97/98/173269798.db2.gz CUHVFSLOQHYBEX-VIFPVBQESA-N -1 3 274.390 1.198 10 0 CDAEHM C[C@H]([N-]S(=O)(=O)c1c[nH]cn1)C1CCC(F)CC1 ZINC000660034144 414373101 /nfs/dbraw/zinc/37/31/01/414373101.db2.gz JGPWGBDGEMEUDS-IDKOKCKLSA-N -1 3 275.349 1.605 10 0 CDAEHM CCc1cc(=O)[n-]c(CN[C@@H]2C[C@H](O)C23CCC3)n1 ZINC000661830690 414391049 /nfs/dbraw/zinc/39/10/49/414391049.db2.gz JRDKKDKBOBRHIK-MNOVXSKESA-N -1 3 263.341 1.138 10 0 CDAEHM O=C(CC1(C(=O)[O-])CCCC1)NCCN1CCCC1 ZINC000037791916 173723808 /nfs/dbraw/zinc/72/38/08/173723808.db2.gz NOFBCKKWSZIIKY-UHFFFAOYSA-N -1 3 268.357 1.234 10 0 CDAEHM O=C([O-])CN1CC[C@@H](N(CC2CCCCC2)C2CC2)C1=O ZINC000662205411 414561564 /nfs/dbraw/zinc/56/15/64/414561564.db2.gz YAHDIQFZFNFVNP-CQSZACIVSA-N -1 3 294.395 1.717 10 0 CDAEHM O=C([O-])CN1CC[C@H](N(CC2CCCCC2)C2CC2)C1=O 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CC1CCC(NC(=O)C2(N)CCCCC2)(C(=O)[O-])CC1 ZINC000040481549 174285290 /nfs/dbraw/zinc/28/52/90/174285290.db2.gz PCJJUTZZSJAGLJ-UHFFFAOYSA-N -1 3 282.384 1.798 10 0 CDAEHM CC(C)[C@H](N)C(=O)N(CC(=O)[O-])c1ccc(Cl)cc1 ZINC000040484716 174288186 /nfs/dbraw/zinc/28/81/86/174288186.db2.gz VZJOZEASLGTROL-LBPRGKRZSA-N -1 3 284.743 1.741 10 0 CDAEHM C[C@](N)(C(=O)N[C@H](C(=O)[O-])C1CCCCC1)C1CC1 ZINC000040486711 174289664 /nfs/dbraw/zinc/28/96/64/174289664.db2.gz GVDNLDZRJFLAED-SMDDNHRTSA-N -1 3 268.357 1.264 10 0 CDAEHM CC[C@@H](C)[C@H](N)C(=O)N1c2ccccc2C[C@@H]1C(=O)[O-] ZINC000040490729 174291927 /nfs/dbraw/zinc/29/19/27/174291927.db2.gz FGKFOCXFRXRONM-WQAKAFBOSA-N -1 3 276.336 1.402 10 0 CDAEHM CC[C@H](C)[C@H](NC(=O)NC[C@H]1CCCN1CC)C(=O)[O-] ZINC000040552895 174329771 /nfs/dbraw/zinc/32/97/71/174329771.db2.gz MXAHWBBYWZSHJU-TUAOUCFPSA-N -1 3 285.388 1.269 10 0 CDAEHM CC(C)C[C@H](NCc1nc2ccccc2[nH]c1=O)C(=O)[O-] ZINC000043442692 175046763 /nfs/dbraw/zinc/04/67/63/175046763.db2.gz JGIQROJBJLDBOB-LBPRGKRZSA-N -1 3 289.335 1.512 10 0 CDAEHM CC(C)C[C@@H](NCc1cc(=O)n2ccsc2n1)C(=O)[O-] ZINC000043443302 175047322 /nfs/dbraw/zinc/04/73/22/175047322.db2.gz QHRXEVJPLIZGJK-SNVBAGLBSA-N -1 3 295.364 1.345 10 0 CDAEHM C[C@](N)(C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])C1CC1 ZINC000043594733 175075637 /nfs/dbraw/zinc/07/56/37/175075637.db2.gz YKGWSPRWLYOQHE-CZUORRHYSA-N -1 3 288.347 1.324 10 0 CDAEHM O=C([O-])/C=C/c1ccsc1CN1CCC[C@@H](O)C1 ZINC000043684781 175093112 /nfs/dbraw/zinc/09/31/12/175093112.db2.gz IWVHJNYVKMCQMP-PGLGOXFNSA-N -1 3 267.350 1.803 10 0 CDAEHM CC[C@@H](C)N(CC(=O)[O-])C(=O)NC[C@@H]1CCCN(C)C1 ZINC000044560176 175204360 /nfs/dbraw/zinc/20/43/60/175204360.db2.gz ALSHTPPAIJWLLP-NEPJUHHUSA-N -1 3 285.388 1.223 10 0 CDAEHM CN1CCCC[C@@H]1CNC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000044565547 175208593 /nfs/dbraw/zinc/20/85/93/175208593.db2.gz RWZTYOHKYACEAA-VXGBXAGGSA-N -1 3 283.372 1.119 10 0 CDAEHM CCCNCC(=O)N(CC(=O)[O-])c1ccc(Cl)cc1 ZINC000044651102 175224926 /nfs/dbraw/zinc/22/49/26/175224926.db2.gz BGEUIHDUDHJLIL-UHFFFAOYSA-N -1 3 284.743 1.757 10 0 CDAEHM Cc1cc(C[N-]S(=O)(=O)c2ccc(F)cc2N)no1 ZINC000044687573 175232863 /nfs/dbraw/zinc/23/28/63/175232863.db2.gz QCLGVDVBKGMXRS-UHFFFAOYSA-N -1 3 285.300 1.183 10 0 CDAEHM C[C@H](NCc1nn[n-]n1)c1ccc(-n2ccnc2)cc1 ZINC000044928268 175279280 /nfs/dbraw/zinc/27/92/80/175279280.db2.gz LHRSCMHFYJEQRD-JTQLQIEISA-N -1 3 269.312 1.236 10 0 CDAEHM CO[N-]C(=O)Cc1c(C)nn(-c2ccccc2F)c1C ZINC000045013818 175290823 /nfs/dbraw/zinc/29/08/23/175290823.db2.gz BXPWGDRHEWRNQX-UHFFFAOYSA-N -1 3 277.299 1.848 10 0 CDAEHM C[C@@H](CNC(=O)Nc1ccc(O)cc1C(=O)[O-])N(C)C ZINC000045112193 175310760 /nfs/dbraw/zinc/31/07/60/175310760.db2.gz DNLRIAORBDLMEB-QMMMGPOBSA-N -1 3 281.312 1.162 10 0 CDAEHM CNCc1ccccc1NC(=O)/C(C)=C(/C)C(=O)[O-] ZINC000071165646 176048059 /nfs/dbraw/zinc/04/80/59/176048059.db2.gz QQLOMBGLKIXPMO-KTKRTIGZSA-N -1 3 262.309 1.766 10 0 CDAEHM CN1CCCC[C@H]1CNc1cnc(C(=O)[O-])cn1 ZINC000071181740 176057393 /nfs/dbraw/zinc/05/73/93/176057393.db2.gz YAFRFKAYGMJOQP-VIFPVBQESA-N -1 3 250.302 1.071 10 0 CDAEHM CCc1nc(N(C)C[C@H]2CCN(C)C2)sc1C(=O)[O-] ZINC000071192578 176074286 /nfs/dbraw/zinc/07/42/86/176074286.db2.gz GZQVHRVFFWOPDH-VIFPVBQESA-N -1 3 283.397 1.792 10 0 CDAEHM Cc1nc(N(C)C[C@@H]2CCN(C)C2)sc1C(=O)[O-] ZINC000071192572 176074462 /nfs/dbraw/zinc/07/44/62/176074462.db2.gz WDCPZJJFMPVSPF-SECBINFHSA-N -1 3 269.370 1.538 10 0 CDAEHM CC[C@H]1CCCC[C@@H]1N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000071245451 176094802 /nfs/dbraw/zinc/09/48/02/176094802.db2.gz CQOMVRRRWBWJHH-SRVKXCTJSA-N -1 3 268.357 1.230 10 0 CDAEHM CC(=O)C(=C(C)[O-])n1cc(C(F)(F)F)ccc1=O ZINC000071516613 176193614 /nfs/dbraw/zinc/19/36/14/176193614.db2.gz GGFLOUNBJBPAMQ-UHFFFAOYSA-N -1 3 261.199 1.586 10 0 CDAEHM COc1ccc([C@@H](C(=O)[O-])N(C)C2CC2)c(OC)c1 ZINC000076371116 177007348 /nfs/dbraw/zinc/00/73/48/177007348.db2.gz VIMRBJHMHTXIBV-ZDUSSCGKSA-N -1 3 265.309 1.924 10 0 CDAEHM CCOc1ncccc1[N-]S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000078238288 177327577 /nfs/dbraw/zinc/32/75/77/177327577.db2.gz JOXSBNPSPIIHPI-LLVKDONJSA-N -1 3 299.396 1.869 10 0 CDAEHM COc1ccc(C(=O)NCCc2c[nH]cn2)c([O-])c1 ZINC000078811781 177391541 /nfs/dbraw/zinc/39/15/41/177391541.db2.gz JAPDFJIAARMYRK-UHFFFAOYSA-N -1 3 261.281 1.096 10 0 CDAEHM COc1ccc(C(=O)NCCc2cnc[nH]2)c([O-])c1 ZINC000078811781 177391543 /nfs/dbraw/zinc/39/15/43/177391543.db2.gz JAPDFJIAARMYRK-UHFFFAOYSA-N -1 3 261.281 1.096 10 0 CDAEHM C[C@H]1CN(C(=O)/C=C/c2cncc([O-])c2)CCS1 ZINC000181981383 261771773 /nfs/dbraw/zinc/77/17/73/261771773.db2.gz LMQNLJPGDFZSQI-PBKGFPTLSA-N -1 3 264.350 1.764 10 0 CDAEHM COC(=O)[C@H](C)CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185748720 262308319 /nfs/dbraw/zinc/30/83/19/262308319.db2.gz JDZKBXZNUVBDIB-SNVBAGLBSA-N -1 3 291.347 1.810 10 0 CDAEHM COc1cc(=NC(=O)NC[C@H](CC(C)C)OC)[n-]n1C ZINC000521410047 262313809 /nfs/dbraw/zinc/31/38/09/262313809.db2.gz TWBNLCCMVMKWFN-JTQLQIEISA-N -1 3 284.360 1.033 10 0 CDAEHM O=C(N[C@H](CO)CCF)c1ccc2c(c1[O-])CCCC2 ZINC000652913046 423829870 /nfs/dbraw/zinc/82/98/70/423829870.db2.gz UBXBFPHNRPTBIO-NSHDSACASA-N -1 3 281.327 1.721 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C2CC3(CCC3)C2)c1 ZINC000651919460 423897640 /nfs/dbraw/zinc/89/76/40/423897640.db2.gz UTWGPFWOHYKDEO-UHFFFAOYSA-N -1 3 269.370 1.514 10 0 CDAEHM CC1(C)Cc2ccc(C(=O)NCc3cc[nH]n3)c([O-])c2O1 ZINC000519057968 265305959 /nfs/dbraw/zinc/30/59/59/265305959.db2.gz DYVASCMPEVLWID-UHFFFAOYSA-N -1 3 287.319 1.759 10 0 CDAEHM CCN1CCC[C@@H](NC(=O)c2c([O-])cc(F)cc2F)C1 ZINC000049449062 424404167 /nfs/dbraw/zinc/40/41/67/424404167.db2.gz CHCWCDVMGZONRM-SNVBAGLBSA-N -1 3 284.306 1.885 10 0 CDAEHM C[C@@]12COC[C@]1(C)CN(Cc1cc(=O)[n-]c(C3CC3)n1)C2 ZINC000661490466 424438189 /nfs/dbraw/zinc/43/81/89/424438189.db2.gz HSXMKUGXSHTZRJ-IYBDPMFKSA-N -1 3 289.379 1.918 10 0 CDAEHM C[C@@H]1CN(CC[C@H]2CCCCO2)C[C@H](C(=O)[O-])O1 ZINC000652509603 424509444 /nfs/dbraw/zinc/50/94/44/424509444.db2.gz GBYLYRIVYWSRFK-IJLUTSLNSA-N -1 3 257.330 1.120 10 0 CDAEHM CN1C[C@@H]2CCN(C(=O)c3cc(F)cc(Cl)c3[O-])[C@@H]2C1 ZINC000650321845 424587123 /nfs/dbraw/zinc/58/71/23/424587123.db2.gz DLBCLWLOKQPRRM-QPUJVOFHSA-N -1 3 298.745 1.961 10 0 CDAEHM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000191037462 270287496 /nfs/dbraw/zinc/28/74/96/270287496.db2.gz FUNRKVXMDIFFFC-BDAKNGLRSA-N -1 3 291.319 1.811 10 0 CDAEHM Cn1cc(C(=O)NCc2ncccc2[O-])c(C(F)F)n1 ZINC000527190346 270674901 /nfs/dbraw/zinc/67/49/01/270674901.db2.gz XZYNCYCONORYDM-UHFFFAOYSA-N -1 3 282.250 1.388 10 0 CDAEHM CC(C)(C)c1nnsc1C(=O)[N-]c1cnns1 ZINC000191974557 277280861 /nfs/dbraw/zinc/28/08/61/277280861.db2.gz UANUNWPDYHNXCZ-UHFFFAOYSA-N -1 3 269.355 1.939 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCOC[C@@H]2C)c1 ZINC000278797780 278201168 /nfs/dbraw/zinc/20/11/68/278201168.db2.gz YZNWXPHGLBNZNM-ZANVPECISA-N -1 3 292.335 1.505 10 0 CDAEHM O=C(NCCCCOCc1ccccc1)c1c[n-]nn1 ZINC000050689569 279180053 /nfs/dbraw/zinc/18/00/53/279180053.db2.gz WGKQVPDSXKXMOW-UHFFFAOYSA-N -1 3 274.324 1.532 10 0 CDAEHM O=C(NCCCCOCc1ccccc1)c1cnn[n-]1 ZINC000050689569 279180054 /nfs/dbraw/zinc/18/00/54/279180054.db2.gz WGKQVPDSXKXMOW-UHFFFAOYSA-N -1 3 274.324 1.532 10 0 CDAEHM O=C(NCCCCOCc1ccccc1)c1cn[n-]n1 ZINC000050689569 279180055 /nfs/dbraw/zinc/18/00/55/279180055.db2.gz WGKQVPDSXKXMOW-UHFFFAOYSA-N -1 3 274.324 1.532 10 0 CDAEHM COC[C@H](C)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120599183 279387108 /nfs/dbraw/zinc/38/71/08/279387108.db2.gz WKQSOAFNNNXVHM-VIFPVBQESA-N -1 3 275.312 1.012 10 0 CDAEHM COC[C@H](C)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120599183 279387113 /nfs/dbraw/zinc/38/71/13/279387113.db2.gz WKQSOAFNNNXVHM-VIFPVBQESA-N -1 3 275.312 1.012 10 0 CDAEHM CC[C@@H]1CN(C(=O)c2csc(=O)[n-]2)C[C@@]2(CCOC2)O1 ZINC000373691970 280394368 /nfs/dbraw/zinc/39/43/68/280394368.db2.gz DYPFKFOPSJHCCG-NOZJJQNGSA-N -1 3 298.364 1.259 10 0 CDAEHM C[C@@]1(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)CCCOC1 ZINC000527499379 281145266 /nfs/dbraw/zinc/14/52/66/281145266.db2.gz AGMYCAKCLSSHAB-SMDDNHRTSA-N -1 3 279.340 1.438 10 0 CDAEHM CCO[C@@]1(C)C[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000529855631 281374979 /nfs/dbraw/zinc/37/49/79/281374979.db2.gz KZHMGBHQLJYICS-YPMHNXCESA-N -1 3 251.282 1.395 10 0 CDAEHM CN(Cc1ccc[nH]1)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000530866946 281617377 /nfs/dbraw/zinc/61/73/77/281617377.db2.gz GASPVOUGFOONDN-UHFFFAOYSA-N -1 3 287.319 1.109 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2C(=O)NC)c1 ZINC000094082518 289060236 /nfs/dbraw/zinc/06/02/36/289060236.db2.gz PGVZFBSQDWJIAB-GFCCVEGCSA-N -1 3 276.336 1.305 10 0 CDAEHM COc1nnc(NC(=O)CC2CCSCC2)[n-]1 ZINC000157679291 289292103 /nfs/dbraw/zinc/29/21/03/289292103.db2.gz RAPIQAHHXCPACC-UHFFFAOYSA-N -1 3 256.331 1.285 10 0 CDAEHM COc1nc(NC(=O)CC2CCSCC2)n[n-]1 ZINC000157679291 289292107 /nfs/dbraw/zinc/29/21/07/289292107.db2.gz RAPIQAHHXCPACC-UHFFFAOYSA-N -1 3 256.331 1.285 10 0 CDAEHM COc1n[n-]c(NC(=O)CC2CCSCC2)n1 ZINC000157679291 289292110 /nfs/dbraw/zinc/29/21/10/289292110.db2.gz RAPIQAHHXCPACC-UHFFFAOYSA-N -1 3 256.331 1.285 10 0 CDAEHM COc1nnc(NC(=O)COc2ccccc2C(C)C)[n-]1 ZINC000158851397 289318856 /nfs/dbraw/zinc/31/88/56/289318856.db2.gz BZSWXHDMWKPYKO-UHFFFAOYSA-N -1 3 290.323 1.954 10 0 CDAEHM COc1nc(NC(=O)COc2ccccc2C(C)C)n[n-]1 ZINC000158851397 289318861 /nfs/dbraw/zinc/31/88/61/289318861.db2.gz BZSWXHDMWKPYKO-UHFFFAOYSA-N -1 3 290.323 1.954 10 0 CDAEHM COc1n[n-]c(NC(=O)COc2ccccc2C(C)C)n1 ZINC000158851397 289318864 /nfs/dbraw/zinc/31/88/64/289318864.db2.gz BZSWXHDMWKPYKO-UHFFFAOYSA-N -1 3 290.323 1.954 10 0 CDAEHM CCC1(CNC(=O)N=c2cc(OC)n(C)[n-]2)CCCC1 ZINC000547840411 289815338 /nfs/dbraw/zinc/81/53/38/289815338.db2.gz QPSABBUGAAPLKQ-UHFFFAOYSA-N -1 3 280.372 1.943 10 0 CDAEHM COc1cc(=NC(=O)c2cc(-c3ccccc3)on2)[n-]n1C ZINC000548142966 289849475 /nfs/dbraw/zinc/84/94/75/289849475.db2.gz ITLZUPGQHVRDJD-UHFFFAOYSA-N -1 3 298.302 1.758 10 0 CDAEHM COc1cc(=NC(=O)N2CC[C@@H](C3CC3)C2)[n-]n1C ZINC000548165904 289853291 /nfs/dbraw/zinc/85/32/91/289853291.db2.gz IPZJMDVWJLKEJW-SNVBAGLBSA-N -1 3 264.329 1.114 10 0 CDAEHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccnc2n[nH]nc21 ZINC000555578649 290226423 /nfs/dbraw/zinc/22/64/23/290226423.db2.gz SKEAMIVEYAPZEU-UHFFFAOYSA-N -1 3 284.279 1.779 10 0 CDAEHM COc1nnc(NC(=O)c2nc(C3CC3)oc2C)[n-]1 ZINC000556960101 290319439 /nfs/dbraw/zinc/31/94/39/290319439.db2.gz ZLADXBDMBIUZHL-UHFFFAOYSA-N -1 3 263.257 1.239 10 0 CDAEHM COc1nc(NC(=O)c2nc(C3CC3)oc2C)n[n-]1 ZINC000556960101 290319441 /nfs/dbraw/zinc/31/94/41/290319441.db2.gz ZLADXBDMBIUZHL-UHFFFAOYSA-N -1 3 263.257 1.239 10 0 CDAEHM COc1n[n-]c(NC(=O)c2nc(C3CC3)oc2C)n1 ZINC000556960101 290319442 /nfs/dbraw/zinc/31/94/42/290319442.db2.gz ZLADXBDMBIUZHL-UHFFFAOYSA-N -1 3 263.257 1.239 10 0 CDAEHM C[C@H]1CC[C@@H]1NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000560808695 293034395 /nfs/dbraw/zinc/03/43/95/293034395.db2.gz HSFYNFRRHDDBPO-CABZTGNLSA-N -1 3 262.309 1.037 10 0 CDAEHM O=C1[N-]C(=O)N2CCN(CC/C=C\c3ccccc3)C[C@@H]12 ZINC000562703220 293178917 /nfs/dbraw/zinc/17/89/17/293178917.db2.gz SJXCWSAGNIQILT-VCDPDADVSA-N -1 3 285.347 1.326 10 0 CDAEHM COc1cc(=NC(=O)N(C)Cc2ccc(C)o2)[n-]n1C ZINC000562751294 293190858 /nfs/dbraw/zinc/19/08/58/293190858.db2.gz GSYYXNKTIZKWCE-UHFFFAOYSA-N -1 3 278.312 1.416 10 0 CDAEHM O=S(=O)([N-][C@H]1CCO[C@@H](C2CC2)C1)c1cscn1 ZINC000563062184 293260632 /nfs/dbraw/zinc/26/06/32/293260632.db2.gz WPRDOWKTPDQKIB-VHSXEESVSA-N -1 3 288.394 1.379 10 0 CDAEHM CO[C@@H](CS(=O)(=O)[N-]CC1(OC)CCCC1)C1CC1 ZINC000564908159 293452620 /nfs/dbraw/zinc/45/26/20/293452620.db2.gz RJFVSGFNBKXKKN-LBPRGKRZSA-N -1 3 291.413 1.290 10 0 CDAEHM COc1cc(=NC(=O)NC2C(C)(C)C2(C)C)[n-]n1C ZINC000565397644 293604258 /nfs/dbraw/zinc/60/42/58/293604258.db2.gz RJPXTHGGQLRTCS-UHFFFAOYSA-N -1 3 266.345 1.407 10 0 CDAEHM COc1cc(=NC(=O)Cc2cccc(Cl)c2F)[n-]n1C ZINC000567287706 293753510 /nfs/dbraw/zinc/75/35/10/293753510.db2.gz MHQPCXJWYYZYHX-UHFFFAOYSA-N -1 3 297.717 1.824 10 0 CDAEHM Cc1ncc(C[N-]S(=O)(=O)c2nc(C)c(C)s2)o1 ZINC000570423783 294237252 /nfs/dbraw/zinc/23/72/52/294237252.db2.gz VWSNKEVFJCQHGF-UHFFFAOYSA-N -1 3 287.366 1.535 10 0 CDAEHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cscn2)C1 ZINC000573365704 294803853 /nfs/dbraw/zinc/80/38/53/294803853.db2.gz TUHWDZUWJNSVFV-RKDXNWHRSA-N -1 3 260.384 1.858 10 0 CDAEHM C[C@@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000408410362 297456236 /nfs/dbraw/zinc/45/62/36/297456236.db2.gz OWXQEFQVFJSOTO-KOLCDFICSA-N -1 3 291.347 1.701 10 0 CDAEHM CC[C@](C)(CO)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000563398751 316291459 /nfs/dbraw/zinc/29/14/59/316291459.db2.gz SFVIXZZKPOFDTN-CQSZACIVSA-N -1 3 265.309 1.942 10 0 CDAEHM COc1cc(C)c(CN(C)CCOCC(=O)[O-])cc1OC ZINC000563543332 316328751 /nfs/dbraw/zinc/32/87/51/316328751.db2.gz SQOUPESNNMJEMW-UHFFFAOYSA-N -1 3 297.351 1.545 10 0 CDAEHM CCCCS(=O)(=O)[N-][C@@H](c1ccccc1F)[C@H](C)O ZINC000576589195 317169144 /nfs/dbraw/zinc/16/91/44/317169144.db2.gz NGGNIFRRDJBJOZ-GXFFZTMASA-N -1 3 289.372 1.967 10 0 CDAEHM CCOC[C@H]1CCCCN1C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000576921779 317230401 /nfs/dbraw/zinc/23/04/01/317230401.db2.gz GEYCYDJKXGWBMT-LLVKDONJSA-N -1 3 296.371 1.274 10 0 CDAEHM C[C@]1(c2ccc(C(=O)N[C@@H]3CC34CC4)cc2)NC(=O)[N-]C1=O ZINC000579229204 324133692 /nfs/dbraw/zinc/13/36/92/324133692.db2.gz ITQNESVPVDVNCB-IAQYHMDHSA-N -1 3 299.330 1.024 10 0 CDAEHM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccccn1 ZINC000579960050 324329416 /nfs/dbraw/zinc/32/94/16/324329416.db2.gz RHPQPIGBPBMEKF-MNOVXSKESA-N -1 3 272.370 1.157 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C[C@@H](O)C2CCCCC2)nc1=N ZINC000583853236 325252634 /nfs/dbraw/zinc/25/26/34/325252634.db2.gz IFDQNIVHXNYKQP-QWHCGFSZSA-N -1 3 293.415 1.306 10 0 CDAEHM Cc1cc(C(=O)NCc2ncccc2[O-])c(C)nn1 ZINC000684351095 482768487 /nfs/dbraw/zinc/76/84/87/482768487.db2.gz RCGRVNCVUVLLLO-UHFFFAOYSA-N -1 3 258.281 1.124 10 0 CDAEHM CC(C)c1nc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C)c[nH]1 ZINC000673819534 482846229 /nfs/dbraw/zinc/84/62/29/482846229.db2.gz RADDDIPRCYWUAF-BDAKNGLRSA-N -1 3 257.359 1.467 10 0 CDAEHM COCC[C@H](C)S(=O)(=O)[N-]C(C)(C)C(F)F ZINC000684598166 482903260 /nfs/dbraw/zinc/90/32/60/482903260.db2.gz UAADOEDHHFSJNJ-ZETCQYMHSA-N -1 3 259.318 1.375 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C[C@H](C)c2ccncc2)c1 ZINC000674085988 482940737 /nfs/dbraw/zinc/94/07/37/482940737.db2.gz LNRTWXXMJSETGQ-NSHDSACASA-N -1 3 294.380 1.380 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](C)c1ccncc1 ZINC000674086037 482940976 /nfs/dbraw/zinc/94/09/76/482940976.db2.gz MUSCYJYAXNLERE-SECBINFHSA-N -1 3 295.364 1.768 10 0 CDAEHM COCc1nsc([N-]C(=O)c2ccn(C(C)(C)C)n2)n1 ZINC000653742726 483025462 /nfs/dbraw/zinc/02/54/62/483025462.db2.gz AUUVNQPGXXSYLC-UHFFFAOYSA-N -1 3 295.368 1.888 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H](OC(F)F)C1 ZINC000679718699 483428562 /nfs/dbraw/zinc/42/85/62/483428562.db2.gz INLHTMVUIQFJAY-VIFPVBQESA-N -1 3 287.262 1.942 10 0 CDAEHM CC1(C)OC[C@@H]2C[C@@]21C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000667857851 483462142 /nfs/dbraw/zinc/46/21/42/483462142.db2.gz XQSFYJWQHYZJNU-BONVTDFDSA-N -1 3 299.334 1.620 10 0 CDAEHM CC1(C)OC[C@@H]2C[C@@]21C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000667857851 483462146 /nfs/dbraw/zinc/46/21/46/483462146.db2.gz XQSFYJWQHYZJNU-BONVTDFDSA-N -1 3 299.334 1.620 10 0 CDAEHM CC1(C)CN(Cc2ncccc2C(=O)[O-])[C@@H]2COC[C@@H]21 ZINC000323781917 483607226 /nfs/dbraw/zinc/60/72/26/483607226.db2.gz BFHIOHVHGYEISD-WCQYABFASA-N -1 3 276.336 1.637 10 0 CDAEHM CCO[C@@H](CN(C)CCc1ccncc1)C(=O)[O-] ZINC000062752849 520307094 /nfs/dbraw/zinc/30/70/94/520307094.db2.gz PQGOTXWUPQFMSL-LBPRGKRZSA-N -1 3 252.314 1.046 10 0 CDAEHM CCN(CC(=O)c1cc(F)ccc1[O-])CC(=O)N(C)C ZINC000050149347 520387386 /nfs/dbraw/zinc/38/73/86/520387386.db2.gz IRVGYSPAJKGFDA-UHFFFAOYSA-N -1 3 282.315 1.124 10 0 CDAEHM CNC(C)(C)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000061318148 521933887 /nfs/dbraw/zinc/93/38/87/521933887.db2.gz JOTCMUNQMHYWIG-UHFFFAOYSA-N -1 3 250.298 1.102 10 0 CDAEHM CCc1nc(N(C)[C@@H]2CCCN(C)C2)sc1C(=O)[O-] ZINC000054968345 522380406 /nfs/dbraw/zinc/38/04/06/522380406.db2.gz CZMIHUIPXCEBHW-SECBINFHSA-N -1 3 283.397 1.934 10 0 CDAEHM CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000049560835 519338681 /nfs/dbraw/zinc/33/86/81/519338681.db2.gz NIWWMAVOHPUEMS-NEPJUHHUSA-N -1 3 285.388 1.221 10 0 CDAEHM CC(C)C[C@H](NC(=O)N1CCC[C@H]1CN(C)C)C(=O)[O-] ZINC000061653842 519386706 /nfs/dbraw/zinc/38/67/06/519386706.db2.gz LKQYEEAOXTUBFB-RYUDHWBXSA-N -1 3 285.388 1.221 10 0 CDAEHM CC(C)CCN(C)C(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000061146008 519650256 /nfs/dbraw/zinc/65/02/56/519650256.db2.gz AVBKSCVAYYIFON-UHFFFAOYSA-N -1 3 285.388 1.177 10 0 CDAEHM CC(C)N1CCN(c2nc3c(cc2C(=O)[O-])CCC3)CC1 ZINC000054534040 519683702 /nfs/dbraw/zinc/68/37/02/519683702.db2.gz ZUQHHXQGRLLOLO-UHFFFAOYSA-N -1 3 289.379 1.799 10 0 CDAEHM CC(C)CN(CC(=O)[O-])C(=O)N1CCC[C@H]1CN(C)C ZINC000062744627 519710551 /nfs/dbraw/zinc/71/05/51/519710551.db2.gz QPQKFJQAYUKTLU-LBPRGKRZSA-N -1 3 285.388 1.175 10 0 CDAEHM CCN(CC(=O)N1CCC(C)CC1)[C@H](C)CC(=O)[O-] ZINC000061182362 520306577 /nfs/dbraw/zinc/30/65/77/520306577.db2.gz QMVLJOYYHRVZQB-GFCCVEGCSA-N -1 3 270.373 1.430 10 0 CDAEHM CCC(CC)NC(=O)CN(CC)[C@H](C)CC(=O)[O-] ZINC000061182240 521575558 /nfs/dbraw/zinc/57/55/58/521575558.db2.gz LVZVTPQNQPBMEJ-SNVBAGLBSA-N -1 3 258.362 1.476 10 0 CDAEHM CCCn1c(=O)[n-]nc1SCC(=O)C(C)(C)OC ZINC000338405800 521633367 /nfs/dbraw/zinc/63/33/67/521633367.db2.gz GZDJMJBOCLXWNH-UHFFFAOYSA-N -1 3 273.358 1.480 10 0 CDAEHM CCN1CCC[C@@H](Nc2nnc(C)c(C)c2C(=O)[O-])C1 ZINC000054529688 521627713 /nfs/dbraw/zinc/62/77/13/521627713.db2.gz PCURZQRIBHRTIZ-LLVKDONJSA-N -1 3 278.356 1.688 10 0 CDAEHM CN(C)C[C@H]1CCCN1C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000061654167 521862023 /nfs/dbraw/zinc/86/20/23/521862023.db2.gz RSZYAGINDJJBRI-QWHCGFSZSA-N -1 3 297.399 1.462 10 0 CDAEHM CNC(C)(C)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000061318007 521939977 /nfs/dbraw/zinc/93/99/77/521939977.db2.gz BYSNJLVAXFXQGE-UHFFFAOYSA-N -1 3 252.270 1.027 10 0 CDAEHM CNC(C)(C)C(=O)Nc1ccc(NC(C)=O)cc1C(=O)[O-] ZINC000061318039 521942503 /nfs/dbraw/zinc/94/25/03/521942503.db2.gz CXAYRRAXZVOFLT-UHFFFAOYSA-N -1 3 293.323 1.280 10 0 CDAEHM Cc1cnn(CCOC(=O)c2cccc3nn[n-]c32)c1 ZINC000792158590 1162264295 /nfs/dbraw/zinc/26/42/95/1162264295.db2.gz BDRXGMOUPMVJOM-UHFFFAOYSA-N -1 3 271.280 1.320 10 0 CDAEHM Cc1cnn(CCOC(=O)c2cccc3[n-]nnc32)c1 ZINC000792158590 1162264300 /nfs/dbraw/zinc/26/43/00/1162264300.db2.gz BDRXGMOUPMVJOM-UHFFFAOYSA-N -1 3 271.280 1.320 10 0 CDAEHM Cc1cnn(CCOC(=O)c2cccc3n[n-]nc32)c1 ZINC000792158590 1162264305 /nfs/dbraw/zinc/26/43/05/1162264305.db2.gz BDRXGMOUPMVJOM-UHFFFAOYSA-N -1 3 271.280 1.320 10 0 CDAEHM CSCC[C@H](N)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000050927575 525579358 /nfs/dbraw/zinc/57/93/58/525579358.db2.gz LUTOJLAIZVUCQP-NSHDSACASA-N -1 3 288.413 1.170 10 0 CDAEHM Cc1cnc(CN[C@H](C)c2c(C)nc(C)[n-]c2=O)cn1 ZINC000061320731 526045241 /nfs/dbraw/zinc/04/52/41/526045241.db2.gz AEAQXOMVVRWQGQ-SECBINFHSA-N -1 3 273.340 1.336 10 0 CDAEHM 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10 0 CDAEHM O=C([N-]OCC(F)F)Nc1cn(Cc2ccccc2)nn1 ZINC000801733301 727959888 /nfs/dbraw/zinc/95/98/88/727959888.db2.gz YIPSCTLFGVSYJQ-UHFFFAOYSA-N -1 3 297.265 1.645 10 0 CDAEHM COCc1cc(Cl)ccc1NC(=O)[N-]OCC(N)=O ZINC000824465602 727996870 /nfs/dbraw/zinc/99/68/70/727996870.db2.gz BKKVXPKYEJHMKJ-UHFFFAOYSA-N -1 3 287.703 1.025 10 0 CDAEHM O=C(N[C@H]1COc2ccccc21)c1cccc2n[n-]nc21 ZINC000182750482 728024201 /nfs/dbraw/zinc/02/42/01/728024201.db2.gz SXKVBTUCHVQCDH-LBPRGKRZSA-N -1 3 280.287 1.821 10 0 CDAEHM CN(C)c1noc(COC(=O)c2ccc([O-])cc2)n1 ZINC000787973843 728308897 /nfs/dbraw/zinc/30/88/97/728308897.db2.gz GRBOMJMAXXFXSO-UHFFFAOYSA-N -1 3 263.253 1.198 10 0 CDAEHM CC(C)([N-]S(=O)(=O)c1cscn1)[C@H]1CCCCO1 ZINC000867682904 728314539 /nfs/dbraw/zinc/31/45/39/728314539.db2.gz OYULJYVIEHZQFJ-SECBINFHSA-N -1 3 290.410 1.769 10 0 CDAEHM CS(C)(=O)=NS(=O)(=O)[N-]CC1CCC=CCC1 ZINC000921928891 728343556 /nfs/dbraw/zinc/34/35/56/728343556.db2.gz QDIPWNXHQMLMIV-UHFFFAOYSA-N -1 3 280.415 1.295 10 0 CDAEHM Cn1nnc(C(=O)[N-]c2cc(Cl)ccc2F)n1 ZINC001529614366 1167870757 /nfs/dbraw/zinc/87/07/57/1167870757.db2.gz XIRHVNVLJRXNCX-UHFFFAOYSA-N -1 3 255.640 1.255 10 0 CDAEHM Cc1nc(NCCC2(CS(C)(=O)=O)CC2)cc(=O)[n-]1 ZINC000692787589 900197647 /nfs/dbraw/zinc/19/76/47/900197647.db2.gz XJSIIJKQMVCQTA-UHFFFAOYSA-N -1 3 285.369 1.117 10 0 CDAEHM CC1(C)CC[C@H]1[N-]S(=O)(=O)c1cccnc1F ZINC000401888110 901923892 /nfs/dbraw/zinc/92/38/92/901923892.db2.gz QSKNHWIQQYHRFU-SECBINFHSA-N -1 3 258.318 1.688 10 0 CDAEHM CC(C)(CO)N1CCN(C(=O)c2cccc([O-])c2F)CC1 ZINC001362300504 903451371 /nfs/dbraw/zinc/45/13/71/903451371.db2.gz LFHMQYMYDFHKPZ-UHFFFAOYSA-N -1 3 296.342 1.060 10 0 CDAEHM CC(C)(CNC(=O)c1ccc(O)cc1[O-])n1cccn1 ZINC000697594343 908798276 /nfs/dbraw/zinc/79/82/76/908798276.db2.gz GVISSVLYCHTEBS-UHFFFAOYSA-N -1 3 275.308 1.459 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000922462732 921617818 /nfs/dbraw/zinc/61/78/18/921617818.db2.gz NPCYLYPHTUAQIC-ZWNOBZJWSA-N -1 3 274.320 1.133 10 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SRWFJLJSAIUITP-UHFFFAOYSA-N -1 3 289.291 1.969 10 0 CDAEHM O=C(Cc1ccc2n[nH]cc2c1)[N-]OCc1ccccn1 ZINC001141946355 936956994 /nfs/dbraw/zinc/95/69/94/936956994.db2.gz LIBDNWRUTHUZGH-UHFFFAOYSA-N -1 3 282.303 1.748 10 0 CDAEHM CCCCC(=O)NCCC[C@@H](C)NC(=O)c1cn[n-]n1 ZINC001487516202 925949209 /nfs/dbraw/zinc/94/92/09/925949209.db2.gz DUWPNPGBOIZDSZ-SNVBAGLBSA-N -1 3 281.360 1.010 10 0 CDAEHM CC1(OCC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)CCC1 ZINC000827907106 925998508 /nfs/dbraw/zinc/99/85/08/925998508.db2.gz IZKKHFAQDYYONC-SNVBAGLBSA-N -1 3 279.340 1.390 10 0 CDAEHM CC(C)C[C@@H](N)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000062842885 928496022 /nfs/dbraw/zinc/49/60/22/928496022.db2.gz VFGYPFJPTYTKAU-SNVBAGLBSA-N -1 3 256.346 1.073 10 0 CDAEHM CC[C@H](C)C[C@@H](N)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000400759944 937272466 /nfs/dbraw/zinc/27/24/66/937272466.db2.gz HSWAXKOXVONMSV-GXSJLCMTSA-N -1 3 256.346 1.073 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(F)=C1CCC1 ZINC001136653836 931232048 /nfs/dbraw/zinc/23/20/48/931232048.db2.gz JESDDUSNIOXRHU-SECBINFHSA-N -1 3 253.277 1.022 10 0 CDAEHM CO[C@H](C)C(=O)NC[C@H](C)N(C)C(=O)c1ccccc1[O-] ZINC001411497905 931838180 /nfs/dbraw/zinc/83/81/80/931838180.db2.gz KFHSKMSLWXDKQS-WDEREUQCSA-N -1 3 294.351 1.004 10 0 CDAEHM C[C@H](CCNCc1cn(C2CCC2)nn1)CC(=O)[O-] ZINC001118437670 937627267 /nfs/dbraw/zinc/62/72/67/937627267.db2.gz PVWHMVDPCBRPHM-SNVBAGLBSA-N -1 3 266.345 1.594 10 0 CDAEHM C[C@H](O)CCCN1CCc2occc2[C@@H]1C(=O)[O-] ZINC001118953243 937681232 /nfs/dbraw/zinc/68/12/32/937681232.db2.gz CSHWUIPDLXZALK-JOYOIKCWSA-N -1 3 253.298 1.424 10 0 CDAEHM C[C@H]1[C@@H](NC(=O)c2ccc(F)cc2[O-])CCN1C ZINC000719336906 934848808 /nfs/dbraw/zinc/84/88/08/934848808.db2.gz JAIOOTFMJYEFRF-KWQFWETISA-N -1 3 252.289 1.354 10 0 CDAEHM C[C@H]1[C@@H](NC(=O)c2c([O-])cccc2F)CCN1C ZINC000719336465 934849536 /nfs/dbraw/zinc/84/95/36/934849536.db2.gz FMTQAIFZBVYRDA-WPRPVWTQSA-N -1 3 252.289 1.354 10 0 CDAEHM COc1cc(NC(=O)Cc2ccc([O-])c(F)c2)nn1C ZINC001412840208 934973910 /nfs/dbraw/zinc/97/39/10/934973910.db2.gz RFBNWVPXHJDIRU-UHFFFAOYSA-N -1 3 279.271 1.455 10 0 CDAEHM Cc1cc(O)ccc1CC(=O)[N-]O[C@@H](CO)C(C)C ZINC001123802189 936224321 /nfs/dbraw/zinc/22/43/21/936224321.db2.gz SCOYLOVPPXQBQY-ZDUSSCGKSA-N -1 3 267.325 1.308 10 0 CDAEHM C[C@H]1CCN(Cc2cc(C(N)=O)cs2)C[C@H]1C(=O)[O-] ZINC001649851297 1169432128 /nfs/dbraw/zinc/43/21/28/1169432128.db2.gz YSFOWBQOCZNQEG-GZMMTYOYSA-N -1 3 282.365 1.390 10 0 CDAEHM CC(C)[C@H](C)C[N-]S(=O)(=O)c1cccnc1F ZINC000401798911 940880080 /nfs/dbraw/zinc/88/00/80/940880080.db2.gz RNKRQWWECOLMLV-SECBINFHSA-N -1 3 260.334 1.791 10 0 CDAEHM COc1nnc(NC(=O)C=C(C)c2ccc(OC)cc2)[n-]1 ZINC000182982777 940888505 /nfs/dbraw/zinc/88/85/05/940888505.db2.gz AOGRRHATMJHHJP-CMDGGOBGSA-N -1 3 288.307 1.864 10 0 CDAEHM COc1nc(NC(=O)C=C(C)c2ccc(OC)cc2)n[n-]1 ZINC000182982777 940888507 /nfs/dbraw/zinc/88/85/07/940888507.db2.gz AOGRRHATMJHHJP-CMDGGOBGSA-N -1 3 288.307 1.864 10 0 CDAEHM COc1n[n-]c(NC(=O)C=C(C)c2ccc(OC)cc2)n1 ZINC000182982777 940888511 /nfs/dbraw/zinc/88/85/11/940888511.db2.gz AOGRRHATMJHHJP-CMDGGOBGSA-N -1 3 288.307 1.864 10 0 CDAEHM CCOc1nnc(NC(=O)[C@H]2CC3CCC2CC3)[n-]1 ZINC000382245236 943931569 /nfs/dbraw/zinc/93/15/69/943931569.db2.gz ZAVULCFBSZXDHU-RTBKNWGFSA-N -1 3 264.329 1.968 10 0 CDAEHM CCOc1nc(NC(=O)[C@H]2CC3CCC2CC3)n[n-]1 ZINC000382245236 943931575 /nfs/dbraw/zinc/93/15/75/943931575.db2.gz ZAVULCFBSZXDHU-RTBKNWGFSA-N -1 3 264.329 1.968 10 0 CDAEHM CCOc1n[n-]c(NC(=O)[C@H]2CC3CCC2CC3)n1 ZINC000382245236 943931578 /nfs/dbraw/zinc/93/15/78/943931578.db2.gz ZAVULCFBSZXDHU-RTBKNWGFSA-N -1 3 264.329 1.968 10 0 CDAEHM CN(CCF)C[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001479734906 971389305 /nfs/dbraw/zinc/38/93/05/971389305.db2.gz PQROYWRKVKIJFN-LBPRGKRZSA-N -1 3 295.358 1.683 10 0 CDAEHM CC(C)(C)OC(=O)c1cc(NC(=O)[C@@H](O)C2CCC2)[n-]n1 ZINC001362595946 971439831 /nfs/dbraw/zinc/43/98/31/971439831.db2.gz WQGHRICNEYVNBX-NSHDSACASA-N -1 3 295.339 1.465 10 0 CDAEHM CC(C)(C)OC(=O)c1cc(NC(=O)[C@@H](O)C2CCC2)n[n-]1 ZINC001362595946 971439836 /nfs/dbraw/zinc/43/98/36/971439836.db2.gz WQGHRICNEYVNBX-NSHDSACASA-N -1 3 295.339 1.465 10 0 CDAEHM COc1ccc(COCC(=O)Nc2ncccc2[O-])cn1 ZINC001362889501 971700579 /nfs/dbraw/zinc/70/05/79/971700579.db2.gz SWZKGBGMJWYALP-UHFFFAOYSA-N -1 3 289.291 1.346 10 0 CDAEHM C[C@@H](NC(=O)CSC1CC1)c1nc(C(F)(F)F)n[n-]1 ZINC001362995129 971800121 /nfs/dbraw/zinc/80/01/21/971800121.db2.gz ABNVAZXHAIBAKI-RXMQYKEDSA-N -1 3 294.302 1.896 10 0 CDAEHM CC(=O)c1ccc(C(=O)NC(C)(C)c2ncon2)cc1[O-] ZINC001363632036 953573247 /nfs/dbraw/zinc/57/32/47/953573247.db2.gz VGVKZQXJRPTTSJ-UHFFFAOYSA-N -1 3 289.291 1.643 10 0 CDAEHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)no1 ZINC001363632663 953573948 /nfs/dbraw/zinc/57/39/48/953573948.db2.gz XQQWPFUUMXKIFO-UHFFFAOYSA-N -1 3 278.268 1.524 10 0 CDAEHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)no1 ZINC001363632663 953573956 /nfs/dbraw/zinc/57/39/56/953573956.db2.gz XQQWPFUUMXKIFO-UHFFFAOYSA-N -1 3 278.268 1.524 10 0 CDAEHM Cc1cccc([O-])c1C(=O)NCc1cc(=O)c(O)co1 ZINC001363661415 953618938 /nfs/dbraw/zinc/61/89/38/953618938.db2.gz FTOBHIYQENCMBH-UHFFFAOYSA-N -1 3 275.260 1.289 10 0 CDAEHM CC(C)OC(=O)c1cc(NC(=O)[C@@H](C)n2cccn2)[n-]n1 ZINC001363720623 953698490 /nfs/dbraw/zinc/69/84/90/953698490.db2.gz FVWSJOOSSQASSW-SECBINFHSA-N -1 3 291.311 1.371 10 0 CDAEHM CC(C)OC(=O)c1cc(NC(=O)[C@@H](C)n2cccn2)n[n-]1 ZINC001363720623 953698493 /nfs/dbraw/zinc/69/84/93/953698493.db2.gz FVWSJOOSSQASSW-SECBINFHSA-N -1 3 291.311 1.371 10 0 CDAEHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)n[nH]1 ZINC001363726728 953706483 /nfs/dbraw/zinc/70/64/83/953706483.db2.gz KICTZCDDOTYEPT-UHFFFAOYSA-N -1 3 277.284 1.259 10 0 CDAEHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)n[nH]1 ZINC001363726728 953706494 /nfs/dbraw/zinc/70/64/94/953706494.db2.gz KICTZCDDOTYEPT-UHFFFAOYSA-N -1 3 277.284 1.259 10 0 CDAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1CCC[C@@H](F)C1 ZINC001333056264 953753774 /nfs/dbraw/zinc/75/37/74/953753774.db2.gz HAXQZFFWSMOTLO-GARJFASQSA-N -1 3 269.320 1.143 10 0 CDAEHM CCO[N-]C(=O)Cc1csc(SCCN(C)C)n1 ZINC001290502587 954049087 /nfs/dbraw/zinc/04/90/87/954049087.db2.gz MHSLMDSXEKZWEQ-UHFFFAOYSA-N -1 3 289.426 1.407 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1ccncc1C ZINC001292969822 954276230 /nfs/dbraw/zinc/27/62/30/954276230.db2.gz ONLRYGJDQKEAOA-SCOBNMCVSA-N -1 3 286.335 1.031 10 0 CDAEHM O=c1[n-]c(C2CC2)nc2c1CN(CCC1OCCO1)C2 ZINC001364488237 954678356 /nfs/dbraw/zinc/67/83/56/954678356.db2.gz CMOOTTBOXWCWJC-UHFFFAOYSA-N -1 3 277.324 1.138 10 0 CDAEHM CC(C)c1noc([C@@H](C)N2CC[C@@H](c3nnn[n-]3)C2)n1 ZINC001363291070 972057899 /nfs/dbraw/zinc/05/78/99/972057899.db2.gz LFLROBRTYWFVMN-RKDXNWHRSA-N -1 3 277.332 1.257 10 0 CDAEHM CC(C)c1noc([C@@H](C)N2CC[C@@H](c3nn[n-]n3)C2)n1 ZINC001363291070 972057909 /nfs/dbraw/zinc/05/79/09/972057909.db2.gz LFLROBRTYWFVMN-RKDXNWHRSA-N -1 3 277.332 1.257 10 0 CDAEHM Cc1ccccc1-n1cc(CNCCOCC(=O)[O-])cn1 ZINC001328478564 955305933 /nfs/dbraw/zinc/30/59/33/955305933.db2.gz RADGGNOQSTYLDO-UHFFFAOYSA-N -1 3 289.335 1.372 10 0 CDAEHM COc1cc(NC(=O)Cc2ccc([O-])c(F)c2)n(C)n1 ZINC001364902533 955350135 /nfs/dbraw/zinc/35/01/35/955350135.db2.gz NKFXOEOXYWKYDX-UHFFFAOYSA-N -1 3 279.271 1.455 10 0 CDAEHM C[C@H](NC(=O)/C=C/C(C)(C)C)[C@H](C)NC(=O)c1cn[n-]n1 ZINC001333869184 958665067 /nfs/dbraw/zinc/66/50/67/958665067.db2.gz XTMNTNJGHYWNMW-CAFLDADYSA-N -1 3 293.371 1.030 10 0 CDAEHM CS(=O)(=O)c1cc(C(=O)Nc2cccc([O-])c2F)co1 ZINC001433823625 960656216 /nfs/dbraw/zinc/65/62/16/960656216.db2.gz SKJZRGWGXHQGCI-UHFFFAOYSA-N -1 3 299.279 1.780 10 0 CDAEHM CO[C@@H](C)CC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001420209014 962579646 /nfs/dbraw/zinc/57/96/46/962579646.db2.gz DQCDYNPYXNVKNC-NTSWFWBYSA-N -1 3 280.250 1.426 10 0 CDAEHM COCCONC(=O)c1cc2sccc2c([O-])c1 ZINC001556463047 965044927 /nfs/dbraw/zinc/04/49/27/965044927.db2.gz UEYCRBKOAZWUIP-UHFFFAOYSA-N -1 3 267.306 1.915 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCC2(C1)OCCO2 ZINC001446898645 966653293 /nfs/dbraw/zinc/65/32/93/966653293.db2.gz XJXYGFPNKFLGAP-LLVKDONJSA-N -1 3 277.320 1.726 10 0 CDAEHM O=C([O-])COCCNCc1nccc2c1CCCC2 ZINC001350654230 966728328 /nfs/dbraw/zinc/72/83/28/966728328.db2.gz WZHQBXBAKDPIJS-UHFFFAOYSA-N -1 3 264.325 1.151 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1ccccc1F ZINC001542942237 967255492 /nfs/dbraw/zinc/25/54/92/967255492.db2.gz UNGISINABXQPGT-DGMVEKRQSA-N -1 3 289.310 1.467 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001542941980 967255839 /nfs/dbraw/zinc/25/58/39/967255839.db2.gz MRZPCEBHUAHQQC-MROQNXINSA-N -1 3 275.352 1.217 10 0 CDAEHM Cn1cnc([N-]C(=O)c2cc(Cl)ncc2F)n1 ZINC001544749704 967384827 /nfs/dbraw/zinc/38/48/27/967384827.db2.gz CCNWWBAONAPYLS-UHFFFAOYSA-N -1 3 255.640 1.255 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)c2cc(Cl)ncc2C)n1 ZINC001300200654 967707377 /nfs/dbraw/zinc/70/73/77/967707377.db2.gz AENIVTKMGJGNDI-UHFFFAOYSA-N -1 3 292.726 1.777 10 0 CDAEHM Cc1cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)oc1C(=O)[O-] ZINC001354083155 968465423 /nfs/dbraw/zinc/46/54/23/968465423.db2.gz MVRICQKZTFLYFS-JTQLQIEISA-N -1 3 292.335 1.666 10 0 CDAEHM CC/C(C)=C/C(=O)NC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001354365465 968677940 /nfs/dbraw/zinc/67/79/40/968677940.db2.gz LDIZFXXSMMOANT-LMMOQWNQSA-N -1 3 290.363 1.983 10 0 CDAEHM c1[n-][nH]c2ncnc(=NCCc3ccnc4ccccc34)c1-2 ZINC001458480248 969304834 /nfs/dbraw/zinc/30/48/34/969304834.db2.gz OWJCYPZOPPYWFN-UHFFFAOYSA-N -1 3 290.330 1.929 10 0 CDAEHM C[C@@H](Cc1cnn(C)c1)C(=O)[N-]O[C@H]1CCCCO1 ZINC001464567698 969797675 /nfs/dbraw/zinc/79/76/75/969797675.db2.gz ZNIYNLXDUJCMMF-JQWIXIFHSA-N -1 3 267.329 1.173 10 0 CDAEHM O=C(c1cc2c(cc1[O-])OCO2)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001465521218 969880077 /nfs/dbraw/zinc/88/00/77/969880077.db2.gz BANVNMNRLJCJOA-BDAKNGLRSA-N -1 3 297.257 1.848 10 0 CDAEHM CCC[C@H](C)CC(=O)NCC=CCNC(=O)c1cn[n-]n1 ZINC001501730150 974631913 /nfs/dbraw/zinc/63/19/13/974631913.db2.gz KCORVMJQVMOHOE-ZWNMCFTASA-N -1 3 293.371 1.033 10 0 CDAEHM C[C@@H](CNC(=O)c1ccccc1[O-])CNC(=O)[C@@H]1C[C@H]1C ZINC001388395476 975470384 /nfs/dbraw/zinc/47/03/84/975470384.db2.gz HLLCSOKOTOXQOI-DMDPSCGWSA-N -1 3 290.363 1.530 10 0 CDAEHM CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001386176385 977910056 /nfs/dbraw/zinc/91/00/56/977910056.db2.gz MSUFHLVUCPUTEA-NQBHXWOUSA-N -1 3 290.363 1.673 10 0 CDAEHM COC(=O)c1cc(C(=O)OC[C@]23CCC[C@H]2OCC3)c[n-]1 ZINC001650494337 1171124355 /nfs/dbraw/zinc/12/43/55/1171124355.db2.gz GTGWHEVMAAKFMZ-IUODEOHRSA-N -1 3 293.319 1.917 10 0 CDAEHM COCCC[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000624787449 342016695 /nfs/dbraw/zinc/01/66/95/342016695.db2.gz PCBSBSSTZNJHLX-UHFFFAOYSA-N -1 3 279.308 1.588 10 0 CDAEHM CC(C)(C)OC(=O)[C@@H](N)c1cccc(-c2nnn[n-]2)c1 ZINC000096028414 185067333 /nfs/dbraw/zinc/06/73/33/185067333.db2.gz XJLCKTAELJQXNY-JTQLQIEISA-N -1 3 275.312 1.208 10 0 CDAEHM CC(C)(C)OC(=O)[C@@H](N)c1cccc(-c2nn[n-]n2)c1 ZINC000096028414 185067334 /nfs/dbraw/zinc/06/73/34/185067334.db2.gz XJLCKTAELJQXNY-JTQLQIEISA-N -1 3 275.312 1.208 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOC2)c(F)c1F ZINC000625083677 342029783 /nfs/dbraw/zinc/02/97/83/342029783.db2.gz JOAVZEJGRIIODC-MRVPVSSYSA-N -1 3 277.292 1.340 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2nccn2CC(C)C)c[n-]1 ZINC000339729099 361753054 /nfs/dbraw/zinc/75/30/54/361753054.db2.gz MSQBMPLEEFGADG-UHFFFAOYSA-N -1 3 290.323 1.906 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1cnc(C)n1C)C(F)(F)F ZINC000625146992 342035173 /nfs/dbraw/zinc/03/51/73/342035173.db2.gz MXFRPCSGEUAWGW-ZETCQYMHSA-N -1 3 285.291 1.348 10 0 CDAEHM CCO[C@@H](CS(=O)(=O)[N-]C[C@@](C)(CC)OC)C1CC1 ZINC000625238544 342045447 /nfs/dbraw/zinc/04/54/47/342045447.db2.gz XCXWQGOKLHNPPB-QWHCGFSZSA-N -1 3 293.429 1.536 10 0 CDAEHM CC(C)C[C@@H](NC(=O)[C@@]1(C)CCCCN1)C(=O)[O-] ZINC000133313263 342070102 /nfs/dbraw/zinc/07/01/02/342070102.db2.gz WIBZAUWCFYSSBQ-ZWNOBZJWSA-N -1 3 256.346 1.134 10 0 CDAEHM COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cccc([O-])c1 ZINC000274327852 365626552 /nfs/dbraw/zinc/62/65/52/365626552.db2.gz ZBJMTNMWIBPZGP-VIFPVBQESA-N -1 3 291.225 1.616 10 0 CDAEHM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H](N)CC1CCCCC1 ZINC000310803938 342137383 /nfs/dbraw/zinc/13/73/83/342137383.db2.gz YXYGQTJJKAXXOY-KOLCDFICSA-N -1 3 256.346 1.216 10 0 CDAEHM CSc1ccc([O-])c(C(=O)N2CCO[C@H]([C@@H](C)O)C2)c1 ZINC000616320334 342128979 /nfs/dbraw/zinc/12/89/79/342128979.db2.gz DBEOCBFTMVNVQW-RNCFNFMXSA-N -1 3 297.376 1.336 10 0 CDAEHM CN(CC1CN(C)C1)C(=O)c1ccc(Cl)cc1[O-] ZINC000618196293 342144437 /nfs/dbraw/zinc/14/44/37/342144437.db2.gz QSCBGRWNUPLVRG-UHFFFAOYSA-N -1 3 268.744 1.679 10 0 CDAEHM CC[C@@H](C[N-]S(=O)(=O)c1ccccc1F)C(=O)OC ZINC000592076868 342664138 /nfs/dbraw/zinc/66/41/38/342664138.db2.gz JJBBJTCYYODPJM-VIFPVBQESA-N -1 3 289.328 1.303 10 0 CDAEHM CCC(F)(F)C[N-]S(=O)(=O)c1cnccc1C ZINC000625454213 342170491 /nfs/dbraw/zinc/17/04/91/342170491.db2.gz REDOCJFJJDXTPX-UHFFFAOYSA-N -1 3 264.297 1.714 10 0 CDAEHM CCOCCCN1CCc2occc2[C@H]1C(=O)[O-] ZINC000629366257 361872746 /nfs/dbraw/zinc/87/27/46/361872746.db2.gz MJJAVXXECOCJMY-LBPRGKRZSA-N -1 3 253.298 1.690 10 0 CDAEHM COCCN(C(=O)c1cc([O-])ccc1Cl)[C@@H]1CCOC1 ZINC000351720450 361891470 /nfs/dbraw/zinc/89/14/70/361891470.db2.gz OKQTWWQWYBPLTP-SNVBAGLBSA-N -1 3 299.754 1.923 10 0 CDAEHM Cc1nccn1CCN1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000629373563 361875519 /nfs/dbraw/zinc/87/55/19/361875519.db2.gz JSTIJPJKFRHBJQ-IHRRRGAJSA-N -1 3 277.368 1.767 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCCC23CC3)cn1C ZINC000625669925 342193791 /nfs/dbraw/zinc/19/37/91/342193791.db2.gz FYHKFMVYOSAKJN-LLVKDONJSA-N -1 3 283.397 1.587 10 0 CDAEHM CC(C)(CN=c1[n-]c(C(N)=O)cs1)[C@H]1CCCCO1 ZINC000644937843 361950833 /nfs/dbraw/zinc/95/08/33/361950833.db2.gz WPIDABUPCVORGJ-SNVBAGLBSA-N -1 3 283.397 1.671 10 0 CDAEHM CN1CCC[C@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000234321072 539045802 /nfs/dbraw/zinc/04/58/02/539045802.db2.gz SGJKWBPNOGNJKJ-VIFPVBQESA-N -1 3 268.744 1.870 10 0 CDAEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000120637165 539079526 /nfs/dbraw/zinc/07/95/26/539079526.db2.gz HHVMZKIYLSOQRI-QWHCGFSZSA-N -1 3 283.335 1.775 10 0 CDAEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000120637165 539079527 /nfs/dbraw/zinc/07/95/27/539079527.db2.gz HHVMZKIYLSOQRI-QWHCGFSZSA-N -1 3 283.335 1.775 10 0 CDAEHM CCN(CCN)C(=O)N=c1[n-]nc(CCC(C)C)s1 ZINC000625900383 342276735 /nfs/dbraw/zinc/27/67/35/342276735.db2.gz STJUPBPEBXTNAG-UHFFFAOYSA-N -1 3 285.417 1.361 10 0 CDAEHM NCc1cccc([N-]S(=O)(=O)C2CCCC2)n1 ZINC000725271119 539162054 /nfs/dbraw/zinc/16/20/54/539162054.db2.gz ZVQPFEKBHYLVLP-UHFFFAOYSA-N -1 3 255.343 1.225 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@@H](CCF)C2)n1 ZINC000626005515 342288137 /nfs/dbraw/zinc/28/81/37/342288137.db2.gz DUNWZBKHBYTAHI-MNOVXSKESA-N -1 3 269.320 1.612 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)[C@H]2C[C@@H]2C(C)C)[n-]1 ZINC000619447623 349720273 /nfs/dbraw/zinc/72/02/73/349720273.db2.gz ICOFINLJRTZWQV-BDAKNGLRSA-N -1 3 265.313 1.817 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)[C@H]2C[C@@H]2C(C)C)c[n-]1 ZINC000619447623 349720275 /nfs/dbraw/zinc/72/02/75/349720275.db2.gz ICOFINLJRTZWQV-BDAKNGLRSA-N -1 3 265.313 1.817 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)c2cc(C)nn2CC)[n-]1 ZINC000619446009 349717649 /nfs/dbraw/zinc/71/76/49/349717649.db2.gz HWEDVRGTFXBAHK-UHFFFAOYSA-N -1 3 291.311 1.364 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)c2cc(C)nn2CC)c[n-]1 ZINC000619446009 349717653 /nfs/dbraw/zinc/71/76/53/349717653.db2.gz HWEDVRGTFXBAHK-UHFFFAOYSA-N -1 3 291.311 1.364 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)[C@H]2CCC(C)(C)O2)[n-]1 ZINC000619446799 349718114 /nfs/dbraw/zinc/71/81/14/349718114.db2.gz YUJGVGVMGZGEJV-MRVPVSSYSA-N -1 3 281.312 1.483 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)[C@H]2CCC(C)(C)O2)c[n-]1 ZINC000619446799 349718116 /nfs/dbraw/zinc/71/81/16/349718116.db2.gz YUJGVGVMGZGEJV-MRVPVSSYSA-N -1 3 281.312 1.483 10 0 CDAEHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H](O)C1CCOCC1 ZINC000534705081 282204307 /nfs/dbraw/zinc/20/43/07/282204307.db2.gz KYLCZPNNCQKHFV-LBPRGKRZSA-N -1 3 285.727 1.772 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C(C)(CC)CC)c1 ZINC000080754387 342360129 /nfs/dbraw/zinc/36/01/29/342360129.db2.gz WSTFBZOPCUVUON-UHFFFAOYSA-N -1 3 259.375 1.760 10 0 CDAEHM COC(=O)c1[n-]c(=NC[C@H]2CCN2C(C)(C)C)sc1C ZINC000596307863 343293678 /nfs/dbraw/zinc/29/36/78/343293678.db2.gz FKIRORAVYKKURX-SNVBAGLBSA-N -1 3 297.424 1.945 10 0 CDAEHM CCOC(=O)c1cc(-c2cc(OC)ns2)n[n-]1 ZINC000596645856 343370356 /nfs/dbraw/zinc/37/03/56/343370356.db2.gz IFEQKKLBCRDDKA-UHFFFAOYSA-N -1 3 253.283 1.719 10 0 CDAEHM CCOC(=O)c1cc(-c2cc(OC)ns2)[n-]n1 ZINC000596645856 343370360 /nfs/dbraw/zinc/37/03/60/343370360.db2.gz IFEQKKLBCRDDKA-UHFFFAOYSA-N -1 3 253.283 1.719 10 0 CDAEHM CCOC(=O)c1c[n-]c(=NC[C@H]2CCOC2(C)C)s1 ZINC000596544226 343347041 /nfs/dbraw/zinc/34/70/41/343347041.db2.gz NNEORPGOFTWRPH-SECBINFHSA-N -1 3 284.381 1.969 10 0 CDAEHM COc1ccc(C(=O)NCCO[C@@H]2CC2(F)F)c([O-])c1 ZINC000618124916 342429858 /nfs/dbraw/zinc/42/98/58/342429858.db2.gz NMYAPXANHCPGHC-LLVKDONJSA-N -1 3 287.262 1.555 10 0 CDAEHM CCCCN(CC)[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC000643871630 362183213 /nfs/dbraw/zinc/18/32/13/362183213.db2.gz CDDPTIZDUOVUMT-GFCCVEGCSA-N -1 3 270.373 1.574 10 0 CDAEHM CC(C)(C)[C@@H](O)CNC(=O)c1c([O-])cccc1O ZINC000092125124 342411413 /nfs/dbraw/zinc/41/14/13/342411413.db2.gz KOMXYWZSWKCKFH-JTQLQIEISA-N -1 3 253.298 1.235 10 0 CDAEHM CC(C)CCN(C)[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC000643873124 362177647 /nfs/dbraw/zinc/17/76/47/362177647.db2.gz SCWGEMKQOMJKKS-GFCCVEGCSA-N -1 3 270.373 1.430 10 0 CDAEHM CC/C(C)=C/C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000295482197 199529119 /nfs/dbraw/zinc/52/91/19/199529119.db2.gz ZFBIDLDMIDQKLT-RMKNXTFCSA-N -1 3 289.335 1.877 10 0 CDAEHM Cc1nnc(NC(=O)c2cc3c(cc2[O-])CCCC3)n1C ZINC000273181123 192067436 /nfs/dbraw/zinc/06/74/36/192067436.db2.gz NMHMIHPYUNPLPZ-UHFFFAOYSA-N -1 3 286.335 1.960 10 0 CDAEHM CC[C@H](C)C[C@@H](NC(=O)c1cc(F)c[n-]c1=O)C(=O)OC 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COc1ccc(C(=O)NC[C@@H](OC)[C@H]2CCOC2)c([O-])c1 ZINC000617148657 344933824 /nfs/dbraw/zinc/93/38/24/344933824.db2.gz USIAETGQDKHSSK-IINYFYTJSA-N -1 3 295.335 1.182 10 0 CDAEHM Cc1cccc(C(=O)N2CC[C@@H](Cn3ccnn3)C2)c1[O-] ZINC000617266649 345096904 /nfs/dbraw/zinc/09/69/04/345096904.db2.gz ZSRIUPOVYHCXCO-GFCCVEGCSA-N -1 3 286.335 1.454 10 0 CDAEHM CCc1cc([N-]C(=O)c2cn(-c3cccc(C)c3)nn2)no1 ZINC000606886274 345099352 /nfs/dbraw/zinc/09/93/52/345099352.db2.gz KXDRGWTWQIMSTO-UHFFFAOYSA-N -1 3 297.318 1.800 10 0 CDAEHM CCc1cc([N-]C(=O)c2csc(COC)n2)no1 ZINC000606891096 345100473 /nfs/dbraw/zinc/10/04/73/345100473.db2.gz TVVCVCYIEGHHFW-UHFFFAOYSA-N -1 3 267.310 1.514 10 0 CDAEHM CCc1cc(=NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2C)[n-]o1 ZINC000606992737 345127809 /nfs/dbraw/zinc/12/78/09/345127809.db2.gz AMOSOXRGIQIGMP-QWRGUYRKSA-N -1 3 293.367 1.540 10 0 CDAEHM O=C(c1cc(=O)[n-]cn1)N1CCC(c2cccnc2)CC1 ZINC000626330899 345257759 /nfs/dbraw/zinc/25/77/59/345257759.db2.gz KORAOKVNDVQJEQ-UHFFFAOYSA-N -1 3 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/nfs/dbraw/zinc/26/05/84/345260584.db2.gz LQNGFAGUHBXLRB-MRVPVSSYSA-N -1 3 292.270 1.142 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H]2COc3cc(F)ccc3C2)n1 ZINC000626333335 345260586 /nfs/dbraw/zinc/26/05/86/345260586.db2.gz LQNGFAGUHBXLRB-MRVPVSSYSA-N -1 3 292.270 1.142 10 0 CDAEHM COC[C@@H](NC(=O)c1ccc(C)cc1[O-])C1CCOCC1 ZINC000617368499 345341039 /nfs/dbraw/zinc/34/10/39/345341039.db2.gz WMDQTVOHXUKFCZ-CQSZACIVSA-N -1 3 293.363 1.872 10 0 CDAEHM O=S(=O)([N-][C@H]1CCO[C@H](C2CC2)C1)c1cscn1 ZINC000563062122 293260411 /nfs/dbraw/zinc/26/04/11/293260411.db2.gz WPRDOWKTPDQKIB-UWVGGRQHSA-N -1 3 288.394 1.379 10 0 CDAEHM CCC(C)(C)[C@@H](C)NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000617572387 345861486 /nfs/dbraw/zinc/86/14/86/345861486.db2.gz HJLHZJFBJVOHPQ-MRVPVSSYSA-N -1 3 267.329 1.040 10 0 CDAEHM O=C(c1cc(=O)[n-]cn1)N1Cc2ccccc2C2(CC2)C1 ZINC000626508440 346184171 /nfs/dbraw/zinc/18/41/71/346184171.db2.gz PRMQOZZYTKSQIA-UHFFFAOYSA-N -1 3 281.315 1.870 10 0 CDAEHM Cc1ccc(C(=O)N2C[C@H]3COC[C@]3(C)C2)c([O-])c1 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CDAEHM CCn1cnc(S(=O)(=O)[N-]Cc2cnccc2C)c1 ZINC000451882384 363168405 /nfs/dbraw/zinc/16/84/05/363168405.db2.gz REVYNAYRGWPYBA-UHFFFAOYSA-N -1 3 280.353 1.085 10 0 CDAEHM Cn1cc(NC([O-])=NO[C@@H]2CCCCO2)c(C2CC2)n1 ZINC000292108085 198164854 /nfs/dbraw/zinc/16/48/54/198164854.db2.gz SMNCXRIUMYGVQI-LLVKDONJSA-N -1 3 280.328 1.877 10 0 CDAEHM Cn1cc(NC(=O)[N-]O[C@@H]2CCCCO2)c(C2CC2)n1 ZINC000292108085 198164855 /nfs/dbraw/zinc/16/48/55/198164855.db2.gz SMNCXRIUMYGVQI-LLVKDONJSA-N -1 3 280.328 1.877 10 0 CDAEHM CC(C)N1C[C@H](NC(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC000155443884 188206858 /nfs/dbraw/zinc/20/68/58/188206858.db2.gz MLBRCLDGMYDQJO-QWRGUYRKSA-N -1 3 263.341 1.246 10 0 CDAEHM C[C@@H]1CCCCN1CCNC(=O)c1cncc([O-])c1 ZINC000109949557 358478080 /nfs/dbraw/zinc/47/80/80/358478080.db2.gz OQJOMPAXCLYSCN-LLVKDONJSA-N -1 3 263.341 1.391 10 0 CDAEHM CCN1CCC[C@@H](N=c2[n-]nc(C(F)F)s2)C1 ZINC000336732036 366128413 /nfs/dbraw/zinc/12/84/13/366128413.db2.gz ZFAJPOYPHALLAH-SSDOTTSWSA-N -1 3 262.329 1.794 10 0 CDAEHM C[C@H](C[N-]S(=O)(=O)c1cccs1)Cn1ccnc1 ZINC000360495292 363332467 /nfs/dbraw/zinc/33/24/67/363332467.db2.gz KLJKFAWXFXGTMG-SNVBAGLBSA-N -1 3 285.394 1.559 10 0 CDAEHM COC[C@](C)(CCO)NC(=O)c1cc([O-])ccc1Cl ZINC000293537172 198672755 /nfs/dbraw/zinc/67/27/55/198672755.db2.gz RSPMVDRUGAJVIX-ZDUSSCGKSA-N -1 3 287.743 1.563 10 0 CDAEHM CCn1nc(C)cc1C(=O)Nc1n[n-]c(-c2ccoc2)n1 ZINC000071888475 355948022 /nfs/dbraw/zinc/94/80/22/355948022.db2.gz ZGZOSEYXUBHIBI-UHFFFAOYSA-N -1 3 286.295 1.842 10 0 CDAEHM COC(=O)CCc1nnc([N-]C(=O)c2occc2C)s1 ZINC000134415254 356270884 /nfs/dbraw/zinc/27/08/84/356270884.db2.gz VJYHKWBJNGEHRD-UHFFFAOYSA-N -1 3 295.320 1.797 10 0 CDAEHM O=C1C[C@@]2(CCOC2)C(=O)[N-]N1c1cccc(F)c1F ZINC000634613906 356574748 /nfs/dbraw/zinc/57/47/48/356574748.db2.gz LSDKIYRNDZNHBR-CYBMUJFWSA-N -1 3 282.246 1.139 10 0 CDAEHM O=c1c2ccc([O-])cc2cnn1CCOCC(F)(F)F ZINC000634618966 356582629 /nfs/dbraw/zinc/58/26/29/356582629.db2.gz KIHXVZFDMKTOTJ-UHFFFAOYSA-N -1 3 288.225 1.681 10 0 CDAEHM COc1cc(C(=O)NCC2(CF)CCOCC2)ccc1[O-] ZINC000456126529 363535035 /nfs/dbraw/zinc/53/50/35/363535035.db2.gz VXIPRPBKNXIZHB-UHFFFAOYSA-N -1 3 297.326 1.897 10 0 CDAEHM COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000456130972 363537041 /nfs/dbraw/zinc/53/70/41/363537041.db2.gz GAVMGVMZSOCSKO-PWSUYJOCSA-N -1 3 293.319 1.559 10 0 CDAEHM Cc1cc(CS(=O)(=O)[N-]CC2(O)CCCCC2)no1 ZINC000084439351 357125242 /nfs/dbraw/zinc/12/52/42/357125242.db2.gz NTGQAWXYLHKPPG-UHFFFAOYSA-N -1 3 288.369 1.098 10 0 CDAEHM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000277715021 357304112 /nfs/dbraw/zinc/30/41/12/357304112.db2.gz GNSHKOFVCLSVLI-QMMMGPOBSA-N -1 3 292.813 1.907 10 0 CDAEHM CO[C@@H](C[N-]S(=O)(=O)c1cscn1)c1ccccc1 ZINC000567781385 357470889 /nfs/dbraw/zinc/47/08/89/357470889.db2.gz DEHQAFLAGPUMOE-NSHDSACASA-N -1 3 298.389 1.809 10 0 CDAEHM COc1cccc(Cl)c1CC(=O)[N-]OC[C@@H]1CCOC1 ZINC000187938843 357825582 /nfs/dbraw/zinc/82/55/82/357825582.db2.gz JUZUMRGTNVUPQO-SNVBAGLBSA-N -1 3 299.754 1.975 10 0 CDAEHM CN(CC1(CO)CC1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000559304555 358292347 /nfs/dbraw/zinc/29/23/47/358292347.db2.gz HKHCJJFSHZTHAS-UHFFFAOYSA-N -1 3 286.331 1.373 10 0 CDAEHM Cc1nc(C[N-]C(=O)C(F)(F)c2ncccc2C)no1 ZINC000194623480 358384389 /nfs/dbraw/zinc/38/43/89/358384389.db2.gz VVRRNTFXWIXZKP-UHFFFAOYSA-N -1 3 282.250 1.490 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000408202789 358385183 /nfs/dbraw/zinc/38/51/83/358385183.db2.gz NZRTWBWYQPRDKP-CYBMUJFWSA-N -1 3 290.363 1.111 10 0 CDAEHM C[C@H]1CCn2cc(C(=O)Nc3ncccc3[O-])nc2C1 ZINC000632400466 366505232 /nfs/dbraw/zinc/50/52/32/366505232.db2.gz SNWNPBROZRYWCY-VIFPVBQESA-N -1 3 272.308 1.818 10 0 CDAEHM NN=c1nc(-c2cccnc2)cc(C(F)(F)F)[n-]1 ZINC000217030814 358975308 /nfs/dbraw/zinc/97/53/08/358975308.db2.gz IZNDEBWOJCOLJO-UHFFFAOYSA-N -1 3 255.203 1.843 10 0 CDAEHM NN=c1nc(C(F)(F)F)cc(-c2cccnc2)[n-]1 ZINC000217030814 358975311 /nfs/dbraw/zinc/97/53/11/358975311.db2.gz IZNDEBWOJCOLJO-UHFFFAOYSA-N -1 3 255.203 1.843 10 0 CDAEHM C[C@@H]1CC(C)(C)CN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000335220826 359059621 /nfs/dbraw/zinc/05/96/21/359059621.db2.gz FKHYOIWHEGCTPF-SECBINFHSA-N -1 3 286.331 1.831 10 0 CDAEHM C[C@@]12CCN(C(=O)c3csc(=O)[n-]3)C[C@@H]1C2(F)F ZINC000358561272 359309527 /nfs/dbraw/zinc/30/95/27/359309527.db2.gz AAEJSIFOXOOOHQ-OIBJUYFYSA-N -1 3 274.292 1.966 10 0 CDAEHM O=C(NCCc1cscn1)c1cc(=O)c2ccccc2[n-]1 ZINC000347507799 359403329 /nfs/dbraw/zinc/40/33/29/359403329.db2.gz YXRINONNXDZEQH-UHFFFAOYSA-N -1 3 299.355 1.957 10 0 CDAEHM CC(C)[C@H](O)CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000162627770 359451911 /nfs/dbraw/zinc/45/19/11/359451911.db2.gz VDFIVZVTCJDSTP-GFCCVEGCSA-N -1 3 289.339 1.136 10 0 CDAEHM CC(C)[C@H](O)CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000162627770 359451917 /nfs/dbraw/zinc/45/19/17/359451917.db2.gz VDFIVZVTCJDSTP-GFCCVEGCSA-N -1 3 289.339 1.136 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc3[n-]nnc32)C[C@H](C)[C@H]1O ZINC000618272206 359700852 /nfs/dbraw/zinc/70/08/52/359700852.db2.gz JDHQFFLBXDWXJU-WOFXILAISA-N -1 3 274.324 1.047 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc3nn[n-]c32)C[C@H](C)[C@H]1O ZINC000618272206 359700854 /nfs/dbraw/zinc/70/08/54/359700854.db2.gz JDHQFFLBXDWXJU-WOFXILAISA-N -1 3 274.324 1.047 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc3n[n-]nc32)C[C@H](C)[C@H]1O ZINC000618272206 359700857 /nfs/dbraw/zinc/70/08/57/359700857.db2.gz JDHQFFLBXDWXJU-WOFXILAISA-N -1 3 274.324 1.047 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000408406853 359739675 /nfs/dbraw/zinc/73/96/75/359739675.db2.gz JIGBTPAFSCVVOZ-GUTXKFCHSA-N -1 3 291.347 1.394 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCOC[C@@H]2C)o1 ZINC000335308542 359782780 /nfs/dbraw/zinc/78/27/80/359782780.db2.gz PRHVWPNELIXVTO-GXSJLCMTSA-N -1 3 273.354 1.539 10 0 CDAEHM CC(C)(CC(=O)Nc1[n-]nnc1C(=O)NC1CC1)C1CC1 ZINC000297700483 200265056 /nfs/dbraw/zinc/26/50/56/200265056.db2.gz JTPTZBVHCCFBSB-UHFFFAOYSA-N -1 3 291.355 1.462 10 0 CDAEHM CC(C)(CC(=O)Nc1nn[n-]c1C(=O)NC1CC1)C1CC1 ZINC000297700483 200265057 /nfs/dbraw/zinc/26/50/57/200265057.db2.gz JTPTZBVHCCFBSB-UHFFFAOYSA-N -1 3 291.355 1.462 10 0 CDAEHM CC(C)(CC(=O)Nc1n[n-]nc1C(=O)NC1CC1)C1CC1 ZINC000297700483 200265059 /nfs/dbraw/zinc/26/50/59/200265059.db2.gz JTPTZBVHCCFBSB-UHFFFAOYSA-N -1 3 291.355 1.462 10 0 CDAEHM CCCC[C@H](C)C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297866142 200295623 /nfs/dbraw/zinc/29/56/23/200295623.db2.gz ZBIIRRHHADROSL-QMMMGPOBSA-N -1 3 279.344 1.462 10 0 CDAEHM CCCC[C@H](C)C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297866142 200295625 /nfs/dbraw/zinc/29/56/25/200295625.db2.gz ZBIIRRHHADROSL-QMMMGPOBSA-N -1 3 279.344 1.462 10 0 CDAEHM CCCC[C@H](C)C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297866142 200295627 /nfs/dbraw/zinc/29/56/27/200295627.db2.gz ZBIIRRHHADROSL-QMMMGPOBSA-N -1 3 279.344 1.462 10 0 CDAEHM COC[C@@]1(C)CN(Cc2nc(C)ccc2[O-])CCO1 ZINC000628496935 359970862 /nfs/dbraw/zinc/97/08/62/359970862.db2.gz BYIPSQOXQZTTCC-CQSZACIVSA-N -1 3 266.341 1.333 10 0 CDAEHM CO[C@H]1C[C@@H](CC(=O)[O-])N(CCOc2ccccc2F)C1 ZINC000566366481 359978573 /nfs/dbraw/zinc/97/85/73/359978573.db2.gz CLOHABVHSNDWNN-RYUDHWBXSA-N -1 3 297.326 1.769 10 0 CDAEHM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC000191060031 360037654 /nfs/dbraw/zinc/03/76/54/360037654.db2.gz QMHSTZYIOZYRIQ-ZJUUUORDSA-N -1 3 274.342 1.137 10 0 CDAEHM O=C(COc1ccsc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000337457451 360147395 /nfs/dbraw/zinc/14/73/95/360147395.db2.gz PPVHKAPJCZEDMB-UHFFFAOYSA-N -1 3 292.242 1.903 10 0 CDAEHM O=C(COc1ccsc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000337457451 360147398 /nfs/dbraw/zinc/14/73/98/360147398.db2.gz PPVHKAPJCZEDMB-UHFFFAOYSA-N -1 3 292.242 1.903 10 0 CDAEHM CC[C@H](CCO)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000089520937 360180895 /nfs/dbraw/zinc/18/08/95/360180895.db2.gz APPPJDMVESUYRV-LLVKDONJSA-N -1 3 293.363 1.997 10 0 CDAEHM CCOC(=O)[C@H](C)N(C)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000337491094 360184889 /nfs/dbraw/zinc/18/48/89/360184889.db2.gz FFXMZAAWNKCWJF-ZETCQYMHSA-N -1 3 294.286 1.121 10 0 CDAEHM CCOC(=O)[C@H](C)N(C)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000337491094 360184893 /nfs/dbraw/zinc/18/48/93/360184893.db2.gz FFXMZAAWNKCWJF-ZETCQYMHSA-N -1 3 294.286 1.121 10 0 CDAEHM CCOC(=O)[C@H](C)N(C)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000337491094 360184898 /nfs/dbraw/zinc/18/48/98/360184898.db2.gz FFXMZAAWNKCWJF-ZETCQYMHSA-N -1 3 294.286 1.121 10 0 CDAEHM C[C@@H]1CCC[C@H](N(C)C(=O)C2CC3(C2)NC(=O)[N-]C3=O)C1 ZINC000155068502 360427973 /nfs/dbraw/zinc/42/79/73/360427973.db2.gz MYYYOHMUZAFXIN-VQEBWTGLSA-N -1 3 293.367 1.012 10 0 CDAEHM CCN1CCC[C@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC000147672885 360711944 /nfs/dbraw/zinc/71/19/44/360711944.db2.gz OXIHBTBJCBUZJK-NSHDSACASA-N -1 3 266.316 1.745 10 0 CDAEHM CCc1ccsc1C(=O)Nc1nnc(OC)[n-]1 ZINC000129526551 360852180 /nfs/dbraw/zinc/85/21/80/360852180.db2.gz OKQXTZADKRFFAO-UHFFFAOYSA-N -1 3 252.299 1.690 10 0 CDAEHM CCc1ccsc1C(=O)Nc1n[n-]c(OC)n1 ZINC000129526551 360852184 /nfs/dbraw/zinc/85/21/84/360852184.db2.gz OKQXTZADKRFFAO-UHFFFAOYSA-N -1 3 252.299 1.690 10 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1.874 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)CCC[C@@H]1CCOC1)C(F)F ZINC000645740239 361198848 /nfs/dbraw/zinc/19/88/48/361198848.db2.gz BKQBUZYCSNRWRN-ZJUUUORDSA-N -1 3 285.356 1.766 10 0 CDAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]C[C@]1(O)CCCC1(C)C ZINC000339024658 361222175 /nfs/dbraw/zinc/22/21/75/361222175.db2.gz XPQXDEVXMYUYPK-DMDPSCGWSA-N -1 3 291.413 1.024 10 0 CDAEHM CCc1cc(C(=O)N[C@H]2COCCC2=O)ccc1[O-] ZINC000628877177 361244022 /nfs/dbraw/zinc/24/40/22/361244022.db2.gz SDQPUFIPISHQRK-NSHDSACASA-N -1 3 263.293 1.042 10 0 CDAEHM Cc1ccc(C(=O)N2CCCN(C)C(=O)C2)c([O-])c1 ZINC000191697978 361265087 /nfs/dbraw/zinc/26/50/87/361265087.db2.gz UIIQBHPGWTVQBA-UHFFFAOYSA-N -1 3 262.309 1.005 10 0 CDAEHM COc1nc(N(C)CCN(C)C2CC2)ccc1C(=O)[O-] ZINC000566291886 370673931 /nfs/dbraw/zinc/67/39/31/370673931.db2.gz NMRBHABUSRLJKN-UHFFFAOYSA-N -1 3 279.340 1.319 10 0 CDAEHM COc1nc(NC(=O)Cc2ccc3c(c2)CCCO3)n[n-]1 ZINC000519531500 361339666 /nfs/dbraw/zinc/33/96/66/361339666.db2.gz BDORGMHVDLSIKJ-UHFFFAOYSA-N -1 3 288.307 1.320 10 0 CDAEHM COc1nnc(NC(=O)Cc2ccc3c(c2)CCCO3)[n-]1 ZINC000519531500 361339670 /nfs/dbraw/zinc/33/96/70/361339670.db2.gz BDORGMHVDLSIKJ-UHFFFAOYSA-N -1 3 288.307 1.320 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2ccc3c(c2)CCCO3)n1 ZINC000519531500 361339673 /nfs/dbraw/zinc/33/96/73/361339673.db2.gz BDORGMHVDLSIKJ-UHFFFAOYSA-N -1 3 288.307 1.320 10 0 CDAEHM CC(C)(C)[S@@](=O)CCNC(=O)c1cccc([O-])c1 ZINC000182432136 189323649 /nfs/dbraw/zinc/32/36/49/189323649.db2.gz XNMSLDBKZQIUGO-SFHVURJKSA-N -1 3 269.366 1.669 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCCC[C@H]2c2nc[nH]n2)n1 ZINC000182698148 189331946 /nfs/dbraw/zinc/33/19/46/189331946.db2.gz PHFIRGSUSXOJLW-NSHDSACASA-N -1 3 288.355 1.590 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCCC[C@H]2c2nnc[nH]2)n1 ZINC000182698148 189331947 /nfs/dbraw/zinc/33/19/47/189331947.db2.gz PHFIRGSUSXOJLW-NSHDSACASA-N -1 3 288.355 1.590 10 0 CDAEHM CC(C)(C)N1C[C@H](NC(=O)c2cccc([O-])c2)CC1=O ZINC000182544907 189327234 /nfs/dbraw/zinc/32/72/34/189327234.db2.gz SBZLYRFEKWQEFF-LLVKDONJSA-N -1 3 276.336 1.521 10 0 CDAEHM COc1nnc(NC(=O)c2cnn(C(C)(C)C)c2C)[n-]1 ZINC000182998201 189342329 /nfs/dbraw/zinc/34/23/29/189342329.db2.gz MKNWLFBVCQLBIJ-UHFFFAOYSA-N -1 3 278.316 1.326 10 0 CDAEHM COc1nc(NC(=O)c2cnn(C(C)(C)C)c2C)n[n-]1 ZINC000182998201 189342330 /nfs/dbraw/zinc/34/23/30/189342330.db2.gz MKNWLFBVCQLBIJ-UHFFFAOYSA-N -1 3 278.316 1.326 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cnn(C(C)(C)C)c2C)n1 ZINC000182998201 189342331 /nfs/dbraw/zinc/34/23/31/189342331.db2.gz MKNWLFBVCQLBIJ-UHFFFAOYSA-N -1 3 278.316 1.326 10 0 CDAEHM C/C=C/CNC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000629036157 361426328 /nfs/dbraw/zinc/42/63/28/361426328.db2.gz UXPGBDSXSIAPAL-ONEGZZNKSA-N -1 3 276.336 1.513 10 0 CDAEHM COc1cc(=NC(=O)CC[C@@H]2CC[C@H](C)O2)[n-]n1C ZINC000547493480 361416428 /nfs/dbraw/zinc/41/64/28/361416428.db2.gz AESLVKMWVXYLQL-UWVGGRQHSA-N -1 3 267.329 1.137 10 0 CDAEHM COc1cccc(C(=O)Nc2cc(C)c(=O)n(C)c2)c1[O-] ZINC000436738088 361569122 /nfs/dbraw/zinc/56/91/22/361569122.db2.gz NBWDQTPAULWVNT-UHFFFAOYSA-N -1 3 288.303 1.660 10 0 CDAEHM CC(=O)c1ccc(C(=O)NCc2noc(C)n2)cc1[O-] ZINC000436651403 361550087 /nfs/dbraw/zinc/55/00/87/361550087.db2.gz VLADRWDYTBPMIM-UHFFFAOYSA-N -1 3 275.264 1.216 10 0 CDAEHM Cc1ccc([O-])c(C(=O)NCc2ncnn2C(C)C)c1 ZINC000280691929 239105750 /nfs/dbraw/zinc/10/57/50/239105750.db2.gz DQQAURGNZORCHI-UHFFFAOYSA-N -1 3 274.324 1.803 10 0 CDAEHM O=C(COC(F)F)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000352740927 363850544 /nfs/dbraw/zinc/85/05/44/363850544.db2.gz UVIMTXWWCCWZRV-UHFFFAOYSA-N -1 3 268.223 1.071 10 0 CDAEHM COc1ccc(NC(=O)c2nc[n-]n2)c(OC)c1OC ZINC000269441136 364195545 /nfs/dbraw/zinc/19/55/45/364195545.db2.gz MWOCGSRMWKCTCY-UHFFFAOYSA-N -1 3 278.268 1.083 10 0 CDAEHM COc1cccc(C(=O)NC[C@](C)(O)C(C)C)c1[O-] ZINC000174436568 364210587 /nfs/dbraw/zinc/21/05/87/364210587.db2.gz UENIXQJZWNBLBE-AWEZNQCLSA-N -1 3 267.325 1.538 10 0 CDAEHM O=C(CCC1CCCC1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000168038621 364364331 /nfs/dbraw/zinc/36/43/31/364364331.db2.gz GJUOQOGNJMBKGV-HNNXBMFYSA-N -1 3 293.367 1.157 10 0 CDAEHM O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1c([O-])cccc1O ZINC000630025888 364438094 /nfs/dbraw/zinc/43/80/94/364438094.db2.gz UAIMZWAIDWKOHE-CABZTGNLSA-N -1 3 263.293 1.395 10 0 CDAEHM Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)CO)c([O-])c1C ZINC000270218299 364505568 /nfs/dbraw/zinc/50/55/68/364505568.db2.gz GZTZJUULHIQQLL-ONGXEEELSA-N -1 3 251.326 1.756 10 0 CDAEHM CC1(C)CCC[C@@](O)(CNc2nc3nncc-3c(O)[n-]2)C1 ZINC000302500468 364510658 /nfs/dbraw/zinc/51/06/58/364510658.db2.gz OIMGCYVVLHQCJT-AWEZNQCLSA-N -1 3 291.355 1.802 10 0 CDAEHM CC(C)[C@H](C)CNC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000361465548 364616617 /nfs/dbraw/zinc/61/66/17/364616617.db2.gz CZNRCVPYIRCHQL-SSDOTTSWSA-N -1 3 293.293 1.915 10 0 CDAEHM CC(C)[C@H](C)CNC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000361465548 364616619 /nfs/dbraw/zinc/61/66/19/364616619.db2.gz CZNRCVPYIRCHQL-SSDOTTSWSA-N -1 3 293.293 1.915 10 0 CDAEHM CC(C)[C@H](C)CNC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000361465548 364616622 /nfs/dbraw/zinc/61/66/22/364616622.db2.gz CZNRCVPYIRCHQL-SSDOTTSWSA-N -1 3 293.293 1.915 10 0 CDAEHM Cc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)o1 ZINC000104832792 364683204 /nfs/dbraw/zinc/68/32/04/364683204.db2.gz IKFNIAXESMGHFR-SECBINFHSA-N -1 3 298.298 1.963 10 0 CDAEHM CC[C@@H](SC)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352994765 364700401 /nfs/dbraw/zinc/70/04/01/364700401.db2.gz UXPQKSAMIRFRGN-NXEZZACHSA-N -1 3 269.370 1.763 10 0 CDAEHM COc1cc(C(=O)N[C@@H](C)[C@@H](C)CO)cc(OC)c1[O-] ZINC000270848270 364789113 /nfs/dbraw/zinc/78/91/13/364789113.db2.gz JJBJWDSVIHJKGK-IUCAKERBSA-N -1 3 283.324 1.156 10 0 CDAEHM O=C(NCc1ncccc1[O-])[C@@H]1CCc2ccccc2O1 ZINC000412303799 240144559 /nfs/dbraw/zinc/14/45/59/240144559.db2.gz YYCFYBCQEVJKPG-HNNXBMFYSA-N -1 3 284.315 1.797 10 0 CDAEHM COCC1(CNC(=O)NCc2ncccc2[O-])CCCC1 ZINC000455555471 252397621 /nfs/dbraw/zinc/39/76/21/252397621.db2.gz RFPOWTMLJUQVQX-UHFFFAOYSA-N -1 3 293.367 1.793 10 0 CDAEHM COC(=O)c1cncc(NC(=O)[N-]OCC(C)C)c1 ZINC000271994701 365036553 /nfs/dbraw/zinc/03/65/53/365036553.db2.gz MADOJLCNFLYSNS-UHFFFAOYSA-N -1 3 267.285 1.577 10 0 CDAEHM Cc1nc(CN(C)C(=O)c2ccc(C)c(C)c2[O-])no1 ZINC000272695538 365354348 /nfs/dbraw/zinc/35/43/48/365354348.db2.gz QPCOSOBMMPVECJ-UHFFFAOYSA-N -1 3 275.308 1.973 10 0 CDAEHM CNC(=O)CC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000272793475 365400875 /nfs/dbraw/zinc/40/08/75/365400875.db2.gz XHLRLCBMXKSSMG-UHFFFAOYSA-N -1 3 276.336 1.381 10 0 CDAEHM Cn1ccnc1N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000272743012 365375993 /nfs/dbraw/zinc/37/59/93/365375993.db2.gz MNIOQEZZNNFISI-UHFFFAOYSA-N -1 3 286.335 1.088 10 0 CDAEHM COC[C@@](C)(CC(=O)OC)NC(=O)c1cccc([O-])c1 ZINC000357311870 366905837 /nfs/dbraw/zinc/90/58/37/366905837.db2.gz VEUHIDAOOWKGAF-CQSZACIVSA-N -1 3 281.308 1.090 10 0 CDAEHM COC(=O)[C@H]1CCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000279493377 367014898 /nfs/dbraw/zinc/01/48/98/367014898.db2.gz OSNBWSCLPRIHRS-UWVGGRQHSA-N -1 3 265.313 1.047 10 0 CDAEHM CCCc1ncc(C[N-]S(=O)(=O)c2cn(C)c(C)n2)o1 ZINC000516623325 367033957 /nfs/dbraw/zinc/03/39/57/367033957.db2.gz XWQZXAAZUXIYNJ-UHFFFAOYSA-N -1 3 298.368 1.148 10 0 CDAEHM CC[C@H](C(=O)N=c1cc(-c2ccncc2)[n-][nH]1)[C@H](C)O ZINC000357626012 367108217 /nfs/dbraw/zinc/10/82/17/367108217.db2.gz XWFIRLXRJQXKLT-ONGXEEELSA-N -1 3 274.324 1.239 10 0 CDAEHM Cc1cc(C(=O)N2CCC([C@H](C)O)CC2)ccc1[O-] ZINC000227031492 367382150 /nfs/dbraw/zinc/38/21/50/367382150.db2.gz KINSDKJMYBGJAZ-NSHDSACASA-N -1 3 263.337 1.934 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCc2ccc(C)cn2)o1 ZINC000416505841 242028066 /nfs/dbraw/zinc/02/80/66/242028066.db2.gz GACQVUQCKDIKQS-UHFFFAOYSA-N -1 3 280.349 1.812 10 0 CDAEHM Cc1nccc(CSc2nc3nncc-3c(O)[n-]2)n1 ZINC000358560504 367774354 /nfs/dbraw/zinc/77/43/54/367774354.db2.gz JDIHQEYEYUHXKD-UHFFFAOYSA-N -1 3 274.309 1.449 10 0 CDAEHM COc1nc(NC(=O)[C@@H](C)Cc2ccccc2C)n[n-]1 ZINC000528949619 368045499 /nfs/dbraw/zinc/04/54/99/368045499.db2.gz VEVXWUCXCDZMNA-JTQLQIEISA-N -1 3 274.324 1.939 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](C)Cc2ccccc2C)[n-]1 ZINC000528949619 368045508 /nfs/dbraw/zinc/04/55/08/368045508.db2.gz VEVXWUCXCDZMNA-JTQLQIEISA-N -1 3 274.324 1.939 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](C)Cc2ccccc2C)n1 ZINC000528949619 368045515 /nfs/dbraw/zinc/04/55/15/368045515.db2.gz VEVXWUCXCDZMNA-JTQLQIEISA-N -1 3 274.324 1.939 10 0 CDAEHM Cc1cc(NCc2ncccc2[O-])n2ncnc2n1 ZINC000359902319 368007581 /nfs/dbraw/zinc/00/75/81/368007581.db2.gz PDRSGCIKSYXGBF-UHFFFAOYSA-N -1 3 256.269 1.145 10 0 CDAEHM Cc1nc(C)c(S(=O)(=O)NCc2ncccc2[O-])s1 ZINC000360012134 368074080 /nfs/dbraw/zinc/07/40/80/368074080.db2.gz RQOZXIXWFHWBPX-UHFFFAOYSA-N -1 3 299.377 1.339 10 0 CDAEHM Cc1nocc1S(=O)(=O)[N-]C[C@](C)(O)CCC(C)C ZINC000632021546 368284421 /nfs/dbraw/zinc/28/44/21/368284421.db2.gz KUPQKFOUNAQVPE-GFCCVEGCSA-N -1 3 290.385 1.449 10 0 CDAEHM C[C@@H]1C[C@@H](NC(=O)N=c2ncn(C(C)(C)C)[n-]2)CCN1C ZINC000541507352 368638958 /nfs/dbraw/zinc/63/89/58/368638958.db2.gz XBYLIDKOQVDWNH-MNOVXSKESA-N -1 3 294.403 1.059 10 0 CDAEHM COc1cccc(C(=O)NCc2cscn2)c1[O-] ZINC000070168264 368703207 /nfs/dbraw/zinc/70/32/07/368703207.db2.gz CYPFCYALKIMWFS-UHFFFAOYSA-N -1 3 264.306 1.787 10 0 CDAEHM Cn1cc(Br)c(-c2n[n-]c(=S)[nH]2)n1 ZINC000575564359 369140729 /nfs/dbraw/zinc/14/07/29/369140729.db2.gz GZMHPIJAFYAKEW-UHFFFAOYSA-N -1 3 260.120 1.256 10 0 CDAEHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccccn2)CCO1 ZINC000420727917 244347302 /nfs/dbraw/zinc/34/73/02/244347302.db2.gz OXZPMLWNSTVOOA-GHMZBOCLSA-N -1 3 270.354 1.318 10 0 CDAEHM COCCCO[N-]C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000368216387 369397328 /nfs/dbraw/zinc/39/73/28/369397328.db2.gz RUEAWFFNRPBXGU-CYBMUJFWSA-N -1 3 276.352 1.283 10 0 CDAEHM COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1cccc([O-])c1 ZINC000274796935 284172461 /nfs/dbraw/zinc/17/24/61/284172461.db2.gz NREOCXAHBFVZFC-MFKMUULPSA-N -1 3 277.320 1.806 10 0 CDAEHM COC(=O)CCCON=C([O-])Nc1nccs1 ZINC000289789185 369664962 /nfs/dbraw/zinc/66/49/62/369664962.db2.gz PEHSXCSGBMWRMO-UHFFFAOYSA-N -1 3 259.287 1.149 10 0 CDAEHM COC(=O)CCCO[N-]C(=O)Nc1nccs1 ZINC000289789185 369664967 /nfs/dbraw/zinc/66/49/67/369664967.db2.gz PEHSXCSGBMWRMO-UHFFFAOYSA-N -1 3 259.287 1.149 10 0 CDAEHM COC(=O)[C@H](CC(F)(F)F)NCc1nc(C)ccc1[O-] ZINC000276517701 193365523 /nfs/dbraw/zinc/36/55/23/193365523.db2.gz UVOGWQLQTVNIRP-QMMMGPOBSA-N -1 3 292.257 1.679 10 0 CDAEHM O=S(=O)(CC1CC1)[N-][C@@H](c1nc[nH]n1)c1ccccc1 ZINC000372595223 370508047 /nfs/dbraw/zinc/50/80/47/370508047.db2.gz OYASIDJYQFNRDG-GFCCVEGCSA-N -1 3 292.364 1.224 10 0 CDAEHM CN1C(=S)N=NC1CCCNC(=O)c1cccc([O-])c1 ZINC000294237233 371008471 /nfs/dbraw/zinc/00/84/71/371008471.db2.gz RULKCVBOSDAQCI-UHFFFAOYSA-N -1 3 292.364 1.172 10 0 CDAEHM COc1cccc(CN2C[C@@H](OC)C[C@@H]2CC(=O)[O-])c1 ZINC000572773939 371300123 /nfs/dbraw/zinc/30/01/23/371300123.db2.gz MJBFLHQTVKLHIR-OCCSQVGLSA-N -1 3 279.336 1.759 10 0 CDAEHM C[C@@]1(O)C[C@H](NC(=O)c2c[n-]nc2-c2ccccn2)C1 ZINC000573072359 371411316 /nfs/dbraw/zinc/41/13/16/371411316.db2.gz IRPLKVLGIPWIMF-DEZZCRIOSA-N -1 3 272.308 1.115 10 0 CDAEHM C[C@@H]1CCC[C@@H]1C(=O)N=c1[nH][n-]cc1Br ZINC000335566889 371815612 /nfs/dbraw/zinc/81/56/12/371815612.db2.gz GGGODAPKXCBUQB-RQJHMYQMSA-N -1 3 272.146 1.969 10 0 CDAEHM NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000172612946 371867492 /nfs/dbraw/zinc/86/74/92/371867492.db2.gz VPQJVKMUZHZPBD-RKDXNWHRSA-N -1 3 288.394 1.071 10 0 CDAEHM CC[C@H](CO)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000345834924 372088460 /nfs/dbraw/zinc/08/84/60/372088460.db2.gz MTYUJAQQYQMHIV-SNVBAGLBSA-N -1 3 274.320 1.371 10 0 CDAEHM Cc1c(C(=O)[N-]c2nncs2)nnn1C(C)C ZINC000293161756 291537615 /nfs/dbraw/zinc/53/76/15/291537615.db2.gz XMMNQNPHZIKBDT-UHFFFAOYSA-N -1 3 252.303 1.271 10 0 CDAEHM O=C(c1cc([O-])ccc1F)N1CCO[C@H]2CCC[C@@H]21 ZINC000294443940 296184945 /nfs/dbraw/zinc/18/49/45/296184945.db2.gz HDALOFHXPVDKRD-STQMWFEESA-N -1 3 265.284 1.925 10 0 CDAEHM CCc1cccc(C(=O)Nc2cn(C)nc2OC)c1[O-] ZINC000581463427 373020137 /nfs/dbraw/zinc/02/01/37/373020137.db2.gz MTYZQZNXXUDZLZ-UHFFFAOYSA-N -1 3 275.308 1.949 10 0 CDAEHM COC[C@H](C)CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000189730404 373091873 /nfs/dbraw/zinc/09/18/73/373091873.db2.gz RNPANEFUFZPMBF-CYBMUJFWSA-N -1 3 292.379 1.433 10 0 CDAEHM CC(C)SCC[N-]S(=O)(=O)c1cscn1 ZINC000581664507 373157766 /nfs/dbraw/zinc/15/77/66/373157766.db2.gz QWXXMIJPDSVIMQ-UHFFFAOYSA-N -1 3 266.413 1.563 10 0 CDAEHM CCc1ccc(C(=O)N2CCN(CCO)[C@H](C)C2)c([O-])c1 ZINC000189995935 373313551 /nfs/dbraw/zinc/31/35/51/373313551.db2.gz TXXNNKVVFOTIEH-GFCCVEGCSA-N -1 3 292.379 1.093 10 0 CDAEHM NC(=O)c1cc([O-])cc(OC(F)F)c1Br ZINC000575681854 373792218 /nfs/dbraw/zinc/79/22/18/373792218.db2.gz FZBANORJAOQXLI-UHFFFAOYSA-N -1 3 282.040 1.855 10 0 CDAEHM C[C@@H]1CCN(CC(=O)NC2CCCCCC2)C[C@H]1C(=O)[O-] ZINC000584529555 373944466 /nfs/dbraw/zinc/94/44/66/373944466.db2.gz MTWUJBWRCCOKFD-TZMCWYRMSA-N -1 3 296.411 1.868 10 0 CDAEHM CC(C)N1CC[C@@H](N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C1=O ZINC000584529742 373944646 /nfs/dbraw/zinc/94/46/46/373944646.db2.gz XFIIEGACVJHQBX-GRYCIOLGSA-N -1 3 268.357 1.038 10 0 CDAEHM Cc1ccc2[n-]cc(C(=O)NC[C@@H](O)C(F)F)c(=O)c2c1 ZINC000342237429 374031303 /nfs/dbraw/zinc/03/13/03/374031303.db2.gz VPZGMFZGBIJBKW-LLVKDONJSA-N -1 3 296.273 1.192 10 0 CDAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@@H]2C)c(C)o1 ZINC000334178832 374540125 /nfs/dbraw/zinc/54/01/25/374540125.db2.gz BDEUASIXGWZTBU-XVKPBYJWSA-N -1 3 286.353 1.024 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@]2(O)CCC[C@H]2C)o1 ZINC000334275511 374702474 /nfs/dbraw/zinc/70/24/74/374702474.db2.gz BZEJNTARJGZWLM-BXKDBHETSA-N -1 3 273.354 1.417 10 0 CDAEHM COCC[C@H](COC)NC(=O)c1c(C)cccc1[O-] ZINC000627400619 375257272 /nfs/dbraw/zinc/25/72/72/375257272.db2.gz XGGURWZBMVRNTO-LLVKDONJSA-N -1 3 267.325 1.482 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@H](C)CN2CCCC2=O)sc1C ZINC000427981326 247224190 /nfs/dbraw/zinc/22/41/90/247224190.db2.gz CETSWPPQMOZIEI-MRVPVSSYSA-N -1 3 297.380 1.083 10 0 CDAEHM CCc1cc(NC(=O)c2c(C)[n-]c(=O)nc2SC)n[nH]1 ZINC000228361231 375752024 /nfs/dbraw/zinc/75/20/24/375752024.db2.gz FPCJXKVOVZAMBZ-UHFFFAOYSA-N -1 3 293.352 1.338 10 0 CDAEHM OCC1(CN=c2cc(-c3ccccc3)n3[n-]cnc3n2)CC1 ZINC000631143007 375972750 /nfs/dbraw/zinc/97/27/50/375972750.db2.gz PCXSHPMUKBFWIP-UHFFFAOYSA-N -1 3 295.346 1.398 10 0 CDAEHM O=C([N-][C@@H]1CCCN(c2ccccc2)C1=O)C(F)F ZINC000194609291 375939029 /nfs/dbraw/zinc/93/90/29/375939029.db2.gz RTMHUMNHYLESIU-SNVBAGLBSA-N -1 3 268.263 1.563 10 0 CDAEHM CO[C@@H](CC(C)C)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000420053169 376224244 /nfs/dbraw/zinc/22/42/44/376224244.db2.gz IOKAFHGQEYDFLE-NEPJUHHUSA-N -1 3 281.356 1.683 10 0 CDAEHM O=S(=O)(C[C@@H]1CCC1(F)F)[N-]Cc1ccco1 ZINC000631635072 376429664 /nfs/dbraw/zinc/42/96/64/376429664.db2.gz IVHZCOHNIIGYFF-QMMMGPOBSA-N -1 3 265.281 1.744 10 0 CDAEHM COc1ccc(NC(=O)c2cnn[n-]2)c(OC)c1OC ZINC000263932981 190085844 /nfs/dbraw/zinc/08/58/44/190085844.db2.gz DDWDPIPVAVOCTL-UHFFFAOYSA-N -1 3 278.268 1.083 10 0 CDAEHM COc1ccc(NC(=O)c2c[n-]nn2)c(OC)c1OC ZINC000263932981 190085845 /nfs/dbraw/zinc/08/58/45/190085845.db2.gz DDWDPIPVAVOCTL-UHFFFAOYSA-N -1 3 278.268 1.083 10 0 CDAEHM COc1ccc(NC(=O)c2cn[n-]n2)c(OC)c1OC ZINC000263932981 190085846 /nfs/dbraw/zinc/08/58/46/190085846.db2.gz DDWDPIPVAVOCTL-UHFFFAOYSA-N -1 3 278.268 1.083 10 0 CDAEHM CC1([N-]S(=O)(=O)c2c[nH]c(=O)s2)CCCC1 ZINC000631800069 376613180 /nfs/dbraw/zinc/61/31/80/376613180.db2.gz QYNBCRMCGKIROB-UHFFFAOYSA-N -1 3 262.356 1.460 10 0 CDAEHM CC[C@@H](C)[C@H](O)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000344621825 376666650 /nfs/dbraw/zinc/66/66/50/376666650.db2.gz LKVCAJSLQVYULL-RNCFNFMXSA-N -1 3 289.339 1.136 10 0 CDAEHM CC[C@@H](C)[C@H](O)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000344621825 376666662 /nfs/dbraw/zinc/66/66/62/376666662.db2.gz LKVCAJSLQVYULL-RNCFNFMXSA-N -1 3 289.339 1.136 10 0 CDAEHM C/C=C\C[C@@H]([N-]S(=O)(=O)CC(C)C)C(=O)OCC ZINC000433879876 248061312 /nfs/dbraw/zinc/06/13/12/248061312.db2.gz NTZKSVYJFOQKHW-JPVGGKMYSA-N -1 3 277.386 1.460 10 0 CDAEHM C/C=C/C[C@H]([N-]S(=O)(=O)CC1CCC1)C(=O)OCC ZINC000433876059 248062050 /nfs/dbraw/zinc/06/20/50/248062050.db2.gz BLQCXQYLEIMIMI-PYEVWLCESA-N -1 3 289.397 1.604 10 0 CDAEHM CC(C)[C@@H](C(=O)[O-])C(=O)NCCN1CCCC[C@@H]1C ZINC000567114437 377031506 /nfs/dbraw/zinc/03/15/06/377031506.db2.gz MZGWDLHSQQCBPX-NWDGAFQWSA-N -1 3 270.373 1.334 10 0 CDAEHM COC1(C[N-]S(=O)(=O)CC2(OC)CCC2)CCC1 ZINC000632191559 377112200 /nfs/dbraw/zinc/11/22/00/377112200.db2.gz FMMPWYOXUBEOTJ-UHFFFAOYSA-N -1 3 277.386 1.044 10 0 CDAEHM CC(C)(C)c1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000264774901 190133746 /nfs/dbraw/zinc/13/37/46/190133746.db2.gz VTKTUVNMGXPNTQ-UHFFFAOYSA-N -1 3 289.335 1.474 10 0 CDAEHM CC1(C)C(C[N-]S(=O)(=O)c2c[nH]c(=O)s2)C1(C)C ZINC000632297713 377260280 /nfs/dbraw/zinc/26/02/80/377260280.db2.gz NOOQZQYWXPTSJX-UHFFFAOYSA-N -1 3 290.410 1.809 10 0 CDAEHM Cc1nnsc1C[N-]S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000632361156 377339794 /nfs/dbraw/zinc/33/97/94/377339794.db2.gz QGFGVIASHJJUMZ-ZETCQYMHSA-N -1 3 297.352 1.311 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000334695244 377292338 /nfs/dbraw/zinc/29/23/38/377292338.db2.gz QKEQNYWIDCJFLO-HNNXBMFYSA-N -1 3 274.320 1.135 10 0 CDAEHM CCc1ncc(C[N-]S(=O)(=O)C[C@@H]2CCC2(F)F)o1 ZINC000632419205 377422743 /nfs/dbraw/zinc/42/27/43/377422743.db2.gz ZKZBASSUCKEHFK-QMMMGPOBSA-N -1 3 294.323 1.702 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000336356664 296262067 /nfs/dbraw/zinc/26/20/67/296262067.db2.gz MKNXXJPQFKERNQ-WCQYABFASA-N -1 3 288.347 1.523 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)c1conc1C)[C@H]1CCCCO1 ZINC000632540156 377579684 /nfs/dbraw/zinc/57/96/84/377579684.db2.gz XXRPQDFCSXLKQC-GHMZBOCLSA-N -1 3 288.369 1.609 10 0 CDAEHM CC[C@@H](C)C[C@H]([N-]S(=O)(=O)CC(C)C)C(=O)OC ZINC000571996437 377646409 /nfs/dbraw/zinc/64/64/09/377646409.db2.gz AHFJPPFFIAWGDK-MNOVXSKESA-N -1 3 279.402 1.540 10 0 CDAEHM CCC[C@H]1CCC[C@@H]1C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633520684 378509934 /nfs/dbraw/zinc/50/99/34/378509934.db2.gz JNYRZCVRKSDXGL-ONGXEEELSA-N -1 3 279.340 1.720 10 0 CDAEHM O=C(N=c1ccn(C2CCSCC2)[nH]1)c1ncc[n-]1 ZINC000633862891 378823117 /nfs/dbraw/zinc/82/31/17/378823117.db2.gz KAIBIHJSZRWWBJ-UHFFFAOYSA-N -1 3 277.353 1.349 10 0 CDAEHM Cc1cccc(C(=O)N2CC[C@](O)(C(F)F)C2)c1[O-] ZINC000334532930 378898038 /nfs/dbraw/zinc/89/80/38/378898038.db2.gz AAIDIAJWCDUWHV-CYBMUJFWSA-N -1 3 271.263 1.543 10 0 CDAEHM Cc1cc(C(=O)NCC[C@H](O)C(F)F)ccc1[O-] ZINC000634001150 378931930 /nfs/dbraw/zinc/93/19/30/378931930.db2.gz HAODPWFSTCBQHH-JTQLQIEISA-N -1 3 259.252 1.447 10 0 CDAEHM C[C@@H]1C[C@H](NC(=O)c2cccc3nn[n-]c32)[C@@H](C)O1 ZINC000634026519 378964002 /nfs/dbraw/zinc/96/40/02/378964002.db2.gz ORXNQWFKJOJBGH-XLDPMVHQSA-N -1 3 260.297 1.254 10 0 CDAEHM C[C@@H]1C[C@H](NC(=O)c2cccc3[n-]nnc32)[C@@H](C)O1 ZINC000634026519 378964004 /nfs/dbraw/zinc/96/40/04/378964004.db2.gz ORXNQWFKJOJBGH-XLDPMVHQSA-N -1 3 260.297 1.254 10 0 CDAEHM C[C@@H]1C[C@H](NC(=O)c2cccc3n[n-]nc32)[C@@H](C)O1 ZINC000634026519 378964005 /nfs/dbraw/zinc/96/40/05/378964005.db2.gz ORXNQWFKJOJBGH-XLDPMVHQSA-N -1 3 260.297 1.254 10 0 CDAEHM C[C@@H]1C[C@@H](NC(=O)c2cccc3nn[n-]c32)[C@@H](C)O1 ZINC000634026517 378964289 /nfs/dbraw/zinc/96/42/89/378964289.db2.gz ORXNQWFKJOJBGH-SOCHQFKDSA-N -1 3 260.297 1.254 10 0 CDAEHM C[C@@H]1C[C@@H](NC(=O)c2cccc3[n-]nnc32)[C@@H](C)O1 ZINC000634026517 378964295 /nfs/dbraw/zinc/96/42/95/378964295.db2.gz ORXNQWFKJOJBGH-SOCHQFKDSA-N -1 3 260.297 1.254 10 0 CDAEHM C[C@@H]1C[C@@H](NC(=O)c2cccc3n[n-]nc32)[C@@H](C)O1 ZINC000634026517 378964303 /nfs/dbraw/zinc/96/43/03/378964303.db2.gz ORXNQWFKJOJBGH-SOCHQFKDSA-N -1 3 260.297 1.254 10 0 CDAEHM O=c1[n-]c([C@H]2CCCN(CCCc3ccncc3)C2)n[nH]1 ZINC000344082551 379148477 /nfs/dbraw/zinc/14/84/77/379148477.db2.gz DODWPBBJELKAJN-ZDUSSCGKSA-N -1 3 287.367 1.718 10 0 CDAEHM COc1ccc(CNC2(c3nn[n-]n3)CCCC2)cc1F ZINC000344199444 379248720 /nfs/dbraw/zinc/24/87/20/379248720.db2.gz RFHSJUAIAXSFGN-UHFFFAOYSA-N -1 3 291.330 1.907 10 0 CDAEHM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1ccco1 ZINC000660119965 412931580 /nfs/dbraw/zinc/93/15/80/412931580.db2.gz YJRJWUWANAZTDM-VIFPVBQESA-N -1 3 259.327 1.373 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H](C)O)o1 ZINC000660162943 412969796 /nfs/dbraw/zinc/96/97/96/412969796.db2.gz RQEKSCNLDXCKCM-SMDDNHRTSA-N -1 3 295.360 1.988 10 0 CDAEHM Cc1ncc(CN2CCC(c3nc(=O)[n-][nH]3)CC2)s1 ZINC000281018286 195071472 /nfs/dbraw/zinc/07/14/72/195071472.db2.gz OEFOODNAOGBFKS-UHFFFAOYSA-N -1 3 279.369 1.243 10 0 CDAEHM COc1nnc(NC(=O)C[C@H]2CCC[C@H](OC)C2)[n-]1 ZINC000281112418 195109489 /nfs/dbraw/zinc/10/94/89/195109489.db2.gz HOUXRBCEYSEBMS-IUCAKERBSA-N -1 3 268.317 1.347 10 0 CDAEHM COc1nc(NC(=O)C[C@H]2CCC[C@H](OC)C2)n[n-]1 ZINC000281112418 195109490 /nfs/dbraw/zinc/10/94/90/195109490.db2.gz HOUXRBCEYSEBMS-IUCAKERBSA-N -1 3 268.317 1.347 10 0 CDAEHM COc1n[n-]c(NC(=O)C[C@H]2CCC[C@H](OC)C2)n1 ZINC000281112418 195109492 /nfs/dbraw/zinc/10/94/92/195109492.db2.gz HOUXRBCEYSEBMS-IUCAKERBSA-N -1 3 268.317 1.347 10 0 CDAEHM CSCCO[N-]C(=O)Cc1ccc(C)nc1Cl ZINC000288305071 197047808 /nfs/dbraw/zinc/04/78/08/197047808.db2.gz RUNYJMCSDUBLCK-UHFFFAOYSA-N -1 3 274.773 1.997 10 0 CDAEHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CO)c(Cl)cc1F ZINC000151854118 390495776 /nfs/dbraw/zinc/49/57/76/390495776.db2.gz AQOCVOXTEJXXQE-ZETCQYMHSA-N -1 3 281.736 1.447 10 0 CDAEHM Cc1nc([C@@](C)(NC(=O)c2csc(=O)[n-]2)C2CC2)no1 ZINC000647140226 390533302 /nfs/dbraw/zinc/53/33/02/390533302.db2.gz BGPJZZHOVXHTKR-LBPRGKRZSA-N -1 3 294.336 1.595 10 0 CDAEHM CC(C)N1CCC[C@H](N2CCC(C)(C(=O)[O-])CC2)C1=O ZINC000647376336 390952236 /nfs/dbraw/zinc/95/22/36/390952236.db2.gz QJAJNYXFJYLTHV-LBPRGKRZSA-N -1 3 282.384 1.573 10 0 CDAEHM CC1CCC(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F)CC1 ZINC000407357366 391028935 /nfs/dbraw/zinc/02/89/35/391028935.db2.gz FSJAATMNRWWNGP-AMDVSUOASA-N -1 3 289.319 1.408 10 0 CDAEHM CCc1ocnc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527208440 391004549 /nfs/dbraw/zinc/00/45/49/391004549.db2.gz ITUQEEOFFDGXDD-JTQLQIEISA-N -1 3 276.296 1.486 10 0 CDAEHM COC1(C(=O)[N-]c2nncn2Cc2ccccc2)CC1 ZINC000648292569 391086703 /nfs/dbraw/zinc/08/67/03/391086703.db2.gz MHIJFRBVWQCNDJ-UHFFFAOYSA-N -1 3 272.308 1.444 10 0 CDAEHM C[C@H]1OCC[C@@]1(C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000345540785 391228575 /nfs/dbraw/zinc/22/85/75/391228575.db2.gz KTFIWIHEAOVXTC-QLJPJBMISA-N -1 3 286.331 1.825 10 0 CDAEHM Cc1cnn(CCNC(=O)/C=C/c2cncc([O-])c2)c1 ZINC000182027337 391199100 /nfs/dbraw/zinc/19/91/00/391199100.db2.gz BRYKFMNJETVWPW-NSCUHMNNSA-N -1 3 272.308 1.122 10 0 CDAEHM CCOC(=O)[C@H](CC)C(=O)Nc1ncccc1[O-] ZINC000411193337 391406426 /nfs/dbraw/zinc/40/64/26/391406426.db2.gz ZFBXMHDLWHHFFZ-MRVPVSSYSA-N -1 3 252.270 1.315 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1cc(=O)[nH]c(C2CC2)c1 ZINC000525948359 391453559 /nfs/dbraw/zinc/45/35/59/391453559.db2.gz ZMFWKRIIHFZUTC-UHFFFAOYSA-N -1 3 285.303 1.695 10 0 CDAEHM COC(=O)c1coc(C(=O)[N-]c2ncnn2C(C)(C)C)c1 ZINC000283001277 391472520 /nfs/dbraw/zinc/47/25/20/391472520.db2.gz KRLTYNBIUUPZGD-UHFFFAOYSA-N -1 3 292.295 1.665 10 0 CDAEHM C[C@H](CCNC(=O)C[C@@H]1NC(=O)[N-]C1=O)CC(C)(C)C ZINC000188944876 391529813 /nfs/dbraw/zinc/52/98/13/391529813.db2.gz IXLGNTVINZKPLZ-ZJUUUORDSA-N -1 3 283.372 1.163 10 0 CDAEHM C[C@H]1C[C@@H](S(=O)(=O)[N-]CC(=O)C(C)(C)C)CCO1 ZINC000451408606 391668110 /nfs/dbraw/zinc/66/81/10/391668110.db2.gz YJWXFPBDFGZAMX-UWVGGRQHSA-N -1 3 277.386 1.089 10 0 CDAEHM COc1ccc(F)c(CNC2(C(=O)[O-])CCOCC2)c1 ZINC000417570919 391676669 /nfs/dbraw/zinc/67/66/69/391676669.db2.gz SMYONBFMWGGYFG-UHFFFAOYSA-N -1 3 283.299 1.558 10 0 CDAEHM Cc1cccc(C)c1CN[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000417588859 391685324 /nfs/dbraw/zinc/68/53/24/391685324.db2.gz DANMGQAINLLSGP-CQSZACIVSA-N -1 3 273.336 1.952 10 0 CDAEHM COC[C@](C)(NCc1ccc2c[nH]nc2c1)C(=O)[O-] ZINC000417585750 391689066 /nfs/dbraw/zinc/68/90/66/391689066.db2.gz MCEGJVARFAFMFP-ZDUSSCGKSA-N -1 3 263.297 1.142 10 0 CDAEHM C[C@@H](C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)N1CCCCCC1 ZINC000516291346 391815289 /nfs/dbraw/zinc/81/52/89/391815289.db2.gz RDWOIJJSUDUMOX-HZSPNIEDSA-N -1 3 296.411 1.820 10 0 CDAEHM CCn1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cn1 ZINC000525967791 392007743 /nfs/dbraw/zinc/00/77/43/392007743.db2.gz XFGQOVDEMPDZPM-LLVKDONJSA-N -1 3 275.312 1.152 10 0 CDAEHM COc1ccccc1NC(=O)[C@H](C)N(C)CCCC(=O)[O-] ZINC000430664631 392035290 /nfs/dbraw/zinc/03/52/90/392035290.db2.gz WCIOKHQULYAVHY-NSHDSACASA-N -1 3 294.351 1.819 10 0 CDAEHM C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N(C)CCCC(=O)[O-] ZINC000430661745 392036282 /nfs/dbraw/zinc/03/62/82/392036282.db2.gz HWHSKCBLHSQKPT-FRRDWIJNSA-N -1 3 284.400 1.676 10 0 CDAEHM CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)N(C)C ZINC000262284347 392038249 /nfs/dbraw/zinc/03/82/49/392038249.db2.gz WGTNOHBKCGCKLI-SLEUVZQESA-N -1 3 282.384 1.286 10 0 CDAEHM CC[C@@H]1C[C@@H](NC(=O)c2c([O-])cccc2O)CCO1 ZINC000422111202 392230765 /nfs/dbraw/zinc/23/07/65/392230765.db2.gz GSJIESFWQODZHY-VHSXEESVSA-N -1 3 265.309 1.785 10 0 CDAEHM COc1cc(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)ccc1[O-] ZINC000442666260 392282525 /nfs/dbraw/zinc/28/25/25/392282525.db2.gz QELWVICYSDMDMM-KOLCDFICSA-N -1 3 292.335 1.175 10 0 CDAEHM CC(C)c1ccc(C(=O)NC2COCCOC2)c([O-])c1 ZINC000646803223 392783922 /nfs/dbraw/zinc/78/39/22/392783922.db2.gz OHQCQJVVIBVALI-UHFFFAOYSA-N -1 3 279.336 1.661 10 0 CDAEHM Cc1ccc(C(=O)N2CN(C)C(=O)[C@H]2C)c([O-])c1C ZINC000649159568 392886831 /nfs/dbraw/zinc/88/68/31/392886831.db2.gz QJOLPOHXMVFAFO-SNVBAGLBSA-N -1 3 262.309 1.269 10 0 CDAEHM CCC[C@@H](C)S(=O)(=O)[N-][C@]1(C(=O)OC)CCSC1 ZINC000521884100 393087604 /nfs/dbraw/zinc/08/76/04/393087604.db2.gz ZCYUGKKNWJRHHD-MWLCHTKSSA-N -1 3 295.426 1.143 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000649228995 393121702 /nfs/dbraw/zinc/12/17/02/393121702.db2.gz IOIIWEABDGXKRT-MXWKQRLJSA-N -1 3 263.341 1.769 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CCn2ccnc2C1 ZINC000649229405 393121818 /nfs/dbraw/zinc/12/18/18/393121818.db2.gz ZRFWQSUMEXPQIT-NSHDSACASA-N -1 3 287.367 1.661 10 0 CDAEHM COCCN(C(=O)Cc1ccc([O-])c(F)c1)[C@@H]1CCOC1 ZINC000451280566 393194789 /nfs/dbraw/zinc/19/47/89/393194789.db2.gz HGEJJHPLZBOBPF-GFCCVEGCSA-N -1 3 297.326 1.338 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCC[C@H]2CCOC2)o1 ZINC000452017413 393426277 /nfs/dbraw/zinc/42/62/77/393426277.db2.gz NHUSIQVHNOYUQY-NSHDSACASA-N -1 3 273.354 1.683 10 0 CDAEHM Cc1cccc(C(=O)N2CCN3CCC2CC3)c1[O-] ZINC000188827283 140102004 /nfs/dbraw/zinc/10/20/04/140102004.db2.gz LGYQXJMKEZHDNV-UHFFFAOYSA-N -1 3 260.337 1.621 10 0 CDAEHM Cc1ccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)c([O-])c1 ZINC000265908767 292064597 /nfs/dbraw/zinc/06/45/97/292064597.db2.gz QDKVHLVJYNYMFG-GFCCVEGCSA-N -1 3 289.253 1.840 10 0 CDAEHM CO[C@@H](CN1CCC[C@@H]1c1nc(=N)n(C)[n-]1)C1CCCC1 ZINC000660471242 413150710 /nfs/dbraw/zinc/15/07/10/413150710.db2.gz SFWHLUGVSJJUJE-OLZOCXBDSA-N -1 3 293.415 1.570 10 0 CDAEHM COC1(CS(=O)(=O)[N-]c2cccc(C)c2)CCOCC1 ZINC000650146455 397739733 /nfs/dbraw/zinc/73/97/33/397739733.db2.gz BIXSCIMESWARIV-UHFFFAOYSA-N -1 3 299.392 1.932 10 0 CDAEHM COc1ccc([O-])c(C(=O)Nc2ncn(C(C)C)n2)c1 ZINC000650277194 397842137 /nfs/dbraw/zinc/84/21/37/397842137.db2.gz UKSWUSOBUGBFDB-UHFFFAOYSA-N -1 3 276.296 1.826 10 0 CDAEHM CO[C@H](CS(=O)(=O)[N-]c1cc(C)cnc1C)C1CC1 ZINC000650489654 398016386 /nfs/dbraw/zinc/01/63/86/398016386.db2.gz TZSXUWKJZKYXRO-CYBMUJFWSA-N -1 3 284.381 1.865 10 0 CDAEHM CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccc([O-])cc1 ZINC000092634244 147017865 /nfs/dbraw/zinc/01/78/65/147017865.db2.gz KCNQYYVNRXACIM-LLVKDONJSA-N -1 3 284.381 1.107 10 0 CDAEHM Cc1noc([C@@H]2COCCN2C(=O)c2ccccc2[O-])n1 ZINC000182822356 148267948 /nfs/dbraw/zinc/26/79/48/148267948.db2.gz SSLLHFFMOXSHLF-NSHDSACASA-N -1 3 289.291 1.297 10 0 CDAEHM CO[C@@H](CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)C1CCC1 ZINC000660555860 413233966 /nfs/dbraw/zinc/23/39/66/413233966.db2.gz COIVBYIJCDBLBT-RYUDHWBXSA-N -1 3 280.372 1.505 10 0 CDAEHM C[C@](O)(Cc1ccccc1)C(=O)NCc1ncccc1[O-] ZINC000352499349 155229242 /nfs/dbraw/zinc/22/92/42/155229242.db2.gz FVHDCZBLPTXCJH-INIZCTEOSA-N -1 3 286.331 1.397 10 0 CDAEHM Cc1c(C(=O)NCc2ncccc2[O-])cnn1C(C)C ZINC000352514749 155240836 /nfs/dbraw/zinc/24/08/36/155240836.db2.gz CCEONNQUMVCTOU-UHFFFAOYSA-N -1 3 274.324 1.803 10 0 CDAEHM CCc1ncsc1C(=O)NCc1ncccc1[O-] ZINC000352514369 155240962 /nfs/dbraw/zinc/24/09/62/155240962.db2.gz AHKHJZGUHNWPID-UHFFFAOYSA-N -1 3 263.322 1.736 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1cc(-c2ccco2)n[nH]1 ZINC000352515436 155241204 /nfs/dbraw/zinc/24/12/04/155241204.db2.gz GURMRERHPBREND-UHFFFAOYSA-N -1 3 284.275 1.700 10 0 CDAEHM O=C(NCc1ncccc1[O-])[C@H]1OCCc2ccccc21 ZINC000352515308 155241358 /nfs/dbraw/zinc/24/13/58/155241358.db2.gz FWQYLVVNBUMVIU-HNNXBMFYSA-N -1 3 284.315 1.717 10 0 CDAEHM CCOC(=O)C1(C(=O)NCc2ncccc2[O-])CCC1 ZINC000352517778 155245294 /nfs/dbraw/zinc/24/52/94/155245294.db2.gz RZDWTKZFBAGTTM-UHFFFAOYSA-N -1 3 278.308 1.137 10 0 CDAEHM COC(=O)[C@H]1CCN(C(=O)c2cccc([O-])c2)[C@H]1C ZINC000334872761 150015473 /nfs/dbraw/zinc/01/54/73/150015473.db2.gz OUYNWHMTVLBHPS-CABZTGNLSA-N -1 3 263.293 1.416 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2nccs2)o1 ZINC000334951396 150106222 /nfs/dbraw/zinc/10/62/22/150106222.db2.gz PEOMOFOHCBSFFW-UHFFFAOYSA-N -1 3 258.324 1.523 10 0 CDAEHM Cc1nn(C)cc1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000335816408 151044549 /nfs/dbraw/zinc/04/45/49/151044549.db2.gz OJTPMYARSMAEPQ-VIFPVBQESA-N -1 3 293.339 1.585 10 0 CDAEHM O=C(c1cc([O-])ccc1F)N1CCN2CCC1CC2 ZINC000336254041 151393170 /nfs/dbraw/zinc/39/31/70/151393170.db2.gz JLKRIHPIYOBAHW-UHFFFAOYSA-N -1 3 264.300 1.452 10 0 CDAEHM Cn1cccc1CNC(=O)NCc1ncccc1[O-] ZINC000349462768 154119755 /nfs/dbraw/zinc/11/97/55/154119755.db2.gz PBKCKLZZGNMQGN-UHFFFAOYSA-N -1 3 260.297 1.125 10 0 CDAEHM C[C@]1(CNC(=O)NCc2ncccc2[O-])CCCS1 ZINC000349567991 154141231 /nfs/dbraw/zinc/14/12/31/154141231.db2.gz KLBZXSFUVFFMQG-CYBMUJFWSA-N -1 3 281.381 1.872 10 0 CDAEHM CC1(C)C[C@H](NC(=O)NCc2ncccc2[O-])CCO1 ZINC000349793882 154219295 /nfs/dbraw/zinc/21/92/95/154219295.db2.gz XYBKBYCZOPMZLK-SNVBAGLBSA-N -1 3 279.340 1.544 10 0 CDAEHM COC(=O)Cn1ncc(NC(=O)c2cccc([O-])c2)c1C ZINC000356832408 157584244 /nfs/dbraw/zinc/58/42/44/157584244.db2.gz RLUPFUWBNAISAB-UHFFFAOYSA-N -1 3 289.291 1.322 10 0 CDAEHM Cc1noc([N-]C(=O)COc2ccc(C(N)=O)cc2)c1C ZINC000359383655 158230608 /nfs/dbraw/zinc/23/06/08/158230608.db2.gz SBVJPRIRCCPBHY-UHFFFAOYSA-N -1 3 289.291 1.408 10 0 CDAEHM Cn1c2cc([O-])c(NC(=O)c3cccnc3)cc2n(C)c1=O ZINC000359771432 158370073 /nfs/dbraw/zinc/37/00/73/158370073.db2.gz CBCPVQTVENCNBM-UHFFFAOYSA-N -1 3 298.302 1.230 10 0 CDAEHM Cn1c2cc([O-])c(NC(=O)c3ccncc3)cc2n(C)c1=O ZINC000359777553 158372857 /nfs/dbraw/zinc/37/28/57/158372857.db2.gz IPZURJHAIMJLMA-UHFFFAOYSA-N -1 3 298.302 1.230 10 0 CDAEHM C[C@@H](CN(C)c1nc2c(cccc2F)o1)c1nnn[n-]1 ZINC000362658921 159205379 /nfs/dbraw/zinc/20/53/79/159205379.db2.gz TVKCSJZQBBWGCJ-ZETCQYMHSA-N -1 3 276.275 1.720 10 0 CDAEHM C[C@@H](CN(C)c1nc2c(cccc2F)o1)c1nn[n-]n1 ZINC000362658921 159205380 /nfs/dbraw/zinc/20/53/80/159205380.db2.gz TVKCSJZQBBWGCJ-ZETCQYMHSA-N -1 3 276.275 1.720 10 0 CDAEHM CCc1cc(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)ccc1[O-] ZINC000362821245 159245662 /nfs/dbraw/zinc/24/56/62/159245662.db2.gz WMOBMQWXHQZUSZ-YPMHNXCESA-N -1 3 290.363 1.729 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCc2cc[nH]c(=O)c2C1 ZINC000372855889 160152920 /nfs/dbraw/zinc/15/29/20/160152920.db2.gz CIAGORQKIWXNTJ-UHFFFAOYSA-N -1 3 270.288 1.691 10 0 CDAEHM CC(C)c1n[n-]c(=NC[C@@H]2CN3CCC[C@@H]3CO2)s1 ZINC000373675688 160220260 /nfs/dbraw/zinc/22/02/60/160220260.db2.gz SQMMTZOPGFNOAJ-GHMZBOCLSA-N -1 3 282.413 1.359 10 0 CDAEHM CSc1nnc(NC(=O)c2ccn(C(C)(C)C)n2)[n-]1 ZINC000654654795 413543939 /nfs/dbraw/zinc/54/39/39/413543939.db2.gz GWVCSJQDDIZJIV-UHFFFAOYSA-N -1 3 280.357 1.730 10 0 CDAEHM CSc1n[n-]c(NC(=O)c2ccn(C(C)(C)C)n2)n1 ZINC000654654795 413543948 /nfs/dbraw/zinc/54/39/48/413543948.db2.gz GWVCSJQDDIZJIV-UHFFFAOYSA-N -1 3 280.357 1.730 10 0 CDAEHM CSc1nc(NC(=O)c2ccn(C(C)(C)C)n2)n[n-]1 ZINC000654654795 413543961 /nfs/dbraw/zinc/54/39/61/413543961.db2.gz GWVCSJQDDIZJIV-UHFFFAOYSA-N -1 3 280.357 1.730 10 0 CDAEHM Cc1sc2[nH]c(CNCCC(=O)[O-])nc(=O)c2c1C ZINC000035386820 172168804 /nfs/dbraw/zinc/16/88/04/172168804.db2.gz ULUPALAIGMNVHK-UHFFFAOYSA-N -1 3 281.337 1.166 10 0 CDAEHM O=C([O-])CCNCC(=O)Nc1cccc(Cl)c1 ZINC000035386711 172169074 /nfs/dbraw/zinc/16/90/74/172169074.db2.gz UTENBOBIRFZDMF-UHFFFAOYSA-N -1 3 256.689 1.343 10 0 CDAEHM CC(C)[C@@H](N[C@H](C)C(=O)N1CCCCCC1)C(=O)[O-] ZINC000035390974 172174552 /nfs/dbraw/zinc/17/45/52/172174552.db2.gz QHEKXMHFQWQANN-VXGBXAGGSA-N -1 3 270.373 1.476 10 0 CDAEHM Cc1nc(C)c(C(=O)[O-])c(SCCN2CCCC2)n1 ZINC000035659707 172336667 /nfs/dbraw/zinc/33/66/67/172336667.db2.gz SNKKXOISMFGAOB-UHFFFAOYSA-N -1 3 281.381 1.980 10 0 CDAEHM CCOCc1nnc([N-]Cc2cn(C3CCC3)nn2)o1 ZINC000656772398 413640431 /nfs/dbraw/zinc/64/04/31/413640431.db2.gz PXEMKTMVWCTEAS-UHFFFAOYSA-N -1 3 278.316 1.535 10 0 CDAEHM C[C@@]12COC[C@]1(C)CN(Cc1occc1C(=O)[O-])C2 ZINC000656760535 413618985 /nfs/dbraw/zinc/61/89/85/413618985.db2.gz CQKGQJOOGZFWLX-OKILXGFUSA-N -1 3 265.309 1.836 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656855110 413739559 /nfs/dbraw/zinc/73/95/59/413739559.db2.gz AFJGIHGHUBBZKZ-MJDLHHQISA-N -1 3 284.400 1.611 10 0 CDAEHM C[C@@H]1CCN(C(=O)[C@@H]2NCCCC2(C)C)C[C@@H]1C(=O)[O-] ZINC000656854968 413740389 /nfs/dbraw/zinc/74/03/89/413740389.db2.gz CZWBSSFLCIBGRM-WOPDTQHZSA-N -1 3 282.384 1.334 10 0 CDAEHM COC1CC(CC[N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC000657036157 413858999 /nfs/dbraw/zinc/85/89/99/413858999.db2.gz AHIXKMPGQAJWRI-UHFFFAOYSA-N -1 3 288.369 1.385 10 0 CDAEHM COC1CC(CC[N-]S(=O)(=O)c2ccco2)C1 ZINC000657035114 413859046 /nfs/dbraw/zinc/85/90/46/413859046.db2.gz NUJGPNOFWMBXIJ-UHFFFAOYSA-N -1 3 259.327 1.373 10 0 CDAEHM CC[C@@H]1CCCCN1CCNC(=O)[C@H](C(=O)[O-])C1CC1 ZINC000663106503 413936240 /nfs/dbraw/zinc/93/62/40/413936240.db2.gz ZVMITYGVVGYIHA-CHWSQXEVSA-N -1 3 282.384 1.478 10 0 CDAEHM C[C@H](CN1CCCCC1)NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC000663112417 413950880 /nfs/dbraw/zinc/95/08/80/413950880.db2.gz ISZUEVKGHBBSQU-ZYHUDNBSSA-N -1 3 268.357 1.088 10 0 CDAEHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccsc2)c2ncnn21 ZINC000657066923 413897577 /nfs/dbraw/zinc/89/75/77/413897577.db2.gz RLLDJLUFIWDUQY-CBAPKCEASA-N -1 3 284.366 1.324 10 0 CDAEHM CN(C)C1(CNC(=O)NC[C@@H](C(=O)[O-])C2CCC2)CCC1 ZINC000665309892 414051271 /nfs/dbraw/zinc/05/12/71/414051271.db2.gz BWHPKDCJJCSKMZ-GFCCVEGCSA-N -1 3 297.399 1.271 10 0 CDAEHM CCN(CCC(=O)[O-])CC(=O)N[C@H](C)CCC(C)C ZINC000038024181 174007287 /nfs/dbraw/zinc/00/72/87/174007287.db2.gz AOSXBJKUWBYQIK-GFCCVEGCSA-N -1 3 272.389 1.724 10 0 CDAEHM CC(C)[C@](C)(CC(=O)NC[C@H](C)N(C)C)C(=O)[O-] ZINC000038087290 174098592 /nfs/dbraw/zinc/09/85/92/174098592.db2.gz VXTBUHQEOOEARP-GWCFXTLKSA-N -1 3 258.362 1.190 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)NC1(C(=O)[O-])CCC(CC)CC1 ZINC000040481420 174285126 /nfs/dbraw/zinc/28/51/26/174285126.db2.gz PCLJOVQKWSAMQQ-BVWOZKJXSA-N -1 3 284.400 1.900 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)N(CC(=O)[O-])c1ccc(C)cc1 ZINC000040483823 174286802 /nfs/dbraw/zinc/28/68/02/174286802.db2.gz TYPSOCXEFNZVJA-FZMZJTMJSA-N -1 3 278.352 1.786 10 0 CDAEHM CC(C)[C@@H](N)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000040484119 174287563 /nfs/dbraw/zinc/28/75/63/174287563.db2.gz YZGSSJFANRKJJG-GFCCVEGCSA-N -1 3 250.298 1.088 10 0 CDAEHM NC1(C(=O)N(CC(=O)[O-])C2CCCC2)CCCCC1 ZINC000040485703 174288738 /nfs/dbraw/zinc/28/87/38/174288738.db2.gz RZUCJMACCPEOGA-UHFFFAOYSA-N -1 3 268.357 1.504 10 0 CDAEHM CN1CCCN(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000040520976 174310178 /nfs/dbraw/zinc/31/01/78/174310178.db2.gz SJIYHSZTWYLUOA-CYBMUJFWSA-N -1 3 291.351 1.159 10 0 CDAEHM COCCS(=O)(=O)[N-][C@H](CC(C)C)c1nnc(C)o1 ZINC000040664801 174366247 /nfs/dbraw/zinc/36/62/47/174366247.db2.gz ULYKKZRWKNDOER-SNVBAGLBSA-N -1 3 291.373 1.031 10 0 CDAEHM C[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc[nH]c1=NN ZINC000042869782 174896592 /nfs/dbraw/zinc/89/65/92/174896592.db2.gz NNQRAYGSGVIWSY-GHMZBOCLSA-N -1 3 298.412 1.472 10 0 CDAEHM Cc1cc(=O)[n-]c(S[C@H](CN)c2ccco2)n1 ZINC000043338272 175012702 /nfs/dbraw/zinc/01/27/02/175012702.db2.gz VJRZCZYKZCHMQU-SECBINFHSA-N -1 3 251.311 1.876 10 0 CDAEHM CC(C)[C@@H](N[C@H]1CCS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000043430854 175043081 /nfs/dbraw/zinc/04/30/81/175043081.db2.gz GGAHOQFNBJVPKB-WCQYABFASA-N -1 3 297.376 1.604 10 0 CDAEHM CC[C@H](C)N[C@@H](C(N)=O)c1ccc([O-])c(Cl)c1 ZINC000043489285 175056823 /nfs/dbraw/zinc/05/68/23/175056823.db2.gz SACZIBONKCQOGG-WRWORJQWSA-N -1 3 256.733 1.960 10 0 CDAEHM CC[C@H](C)[C@H](NC(=O)[C@@H](C)N1[C@@H](C)CC[C@@H]1C)C(=O)[O-] ZINC000043559653 175065998 /nfs/dbraw/zinc/06/59/98/175065998.db2.gz MFZAIAGJUMHBNF-NWBUJAPZSA-N -1 3 284.400 1.863 10 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10 0 CDAEHM COc1cc(C)c([C@@H](NC2CC2)C(=O)[O-])c(OC)c1 ZINC000076371397 177007972 /nfs/dbraw/zinc/00/79/72/177007972.db2.gz AAKPLDOHTPFTEY-CYBMUJFWSA-N -1 3 265.309 1.890 10 0 CDAEHM O=C([N-]c1cc(N2CCCC2)ncn1)c1ccno1 ZINC000077198212 177232453 /nfs/dbraw/zinc/23/24/53/177232453.db2.gz NYTAEHLCSQMVTF-UHFFFAOYSA-N -1 3 259.269 1.317 10 0 CDAEHM N[C@@H](C(=O)[O-])[C@H](O)c1ccc(Cl)cc1Cl ZINC000077429841 177265891 /nfs/dbraw/zinc/26/58/91/177265891.db2.gz PNEBECLVHOZQEH-HTQZYQBOSA-N -1 3 250.081 1.439 10 0 CDAEHM COc1cccc(C(=O)N[C@H](C)c2cnn(C)c2C)c1[O-] ZINC000078679847 177370512 /nfs/dbraw/zinc/37/05/12/177370512.db2.gz CEZZUVSOIQRHDW-SECBINFHSA-N -1 3 289.335 1.934 10 0 CDAEHM CC(C)C[C@@H](N)C(=O)NCC[C@H](C)CCC(=O)[O-] ZINC000079065927 177425915 /nfs/dbraw/zinc/42/59/15/177425915.db2.gz IMWXGYXCUZAYTA-GHMZBOCLSA-N -1 3 258.362 1.367 10 0 CDAEHM CO[C@H](C)CS(=O)(=O)[N-][C@@H](CO)c1sccc1C ZINC000442999130 227217479 /nfs/dbraw/zinc/21/74/79/227217479.db2.gz KHKYJAGKHOZGJX-ZJUUUORDSA-N -1 3 293.410 1.044 10 0 CDAEHM COc1cc(OC)c([C@@H](NCC2CC2)C(=O)[O-])cc1OC ZINC000037967461 260122422 /nfs/dbraw/zinc/12/24/22/260122422.db2.gz GQRGKTVJYCIBGH-CQSZACIVSA-N -1 3 295.335 1.838 10 0 CDAEHM O=S(=O)([N-][C@H](C1CC1)C1CCOCC1)c1ccco1 ZINC000651821191 423774956 /nfs/dbraw/zinc/77/49/56/423774956.db2.gz GMKPMPPUQPTCPT-CYBMUJFWSA-N -1 3 285.365 1.763 10 0 CDAEHM Cc1nc2cc(NC([O-])=NOC(C)(C)CO)ccc2o1 ZINC000296784118 423898515 /nfs/dbraw/zinc/89/85/15/423898515.db2.gz AQANDNCEYGEVCV-UHFFFAOYSA-N -1 3 279.296 1.960 10 0 CDAEHM Cc1nc2cc(NC(=O)[N-]OC(C)(C)CO)ccc2o1 ZINC000296784118 423898528 /nfs/dbraw/zinc/89/85/28/423898528.db2.gz AQANDNCEYGEVCV-UHFFFAOYSA-N -1 3 279.296 1.960 10 0 CDAEHM NC[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)C(F)(F)F ZINC000655515272 424141578 /nfs/dbraw/zinc/14/15/78/424141578.db2.gz LKGUGWNHSBUSPF-ZETCQYMHSA-N -1 3 284.184 1.290 10 0 CDAEHM CCc1ccc(C(=O)N2C[C@H](O)C[C@H]2COC)c([O-])c1 ZINC000652783470 424174256 /nfs/dbraw/zinc/17/42/56/424174256.db2.gz 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ZINC001141649011 936915057 /nfs/dbraw/zinc/91/50/57/936915057.db2.gz BALDINORPIYURB-UHFFFAOYSA-N -1 3 290.275 1.636 10 0 CDAEHM C[Si](C)(C)CCCC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000854483889 928215632 /nfs/dbraw/zinc/21/56/32/928215632.db2.gz KLWJWJATDFCSMK-UHFFFAOYSA-N -1 3 283.448 1.877 10 0 CDAEHM CCOC(=O)C(C)(C)O[N-]C(=O)C[C@@H](C)n1ccc(C)n1 ZINC000855135661 928357033 /nfs/dbraw/zinc/35/70/33/928357033.db2.gz RXPOIMYIYXSQER-LLVKDONJSA-N -1 3 297.355 1.532 10 0 CDAEHM CC(C)OCC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783200301 937268738 /nfs/dbraw/zinc/26/87/38/937268738.db2.gz UNVKZDXBBNDWIH-UHFFFAOYSA-N -1 3 292.291 1.910 10 0 CDAEHM Cc1sccc1CC(=O)[N-]OC1CCOCC1 ZINC000787278600 929346858 /nfs/dbraw/zinc/34/68/58/929346858.db2.gz UMQMLSPIGCLFHI-UHFFFAOYSA-N -1 3 255.339 1.826 10 0 CDAEHM Cc1cnc(COC(=O)c2cccc3nn[n-]c32)o1 ZINC000800207801 930424690 /nfs/dbraw/zinc/42/46/90/930424690.db2.gz GUPQFDADMKRZRX-UHFFFAOYSA-N -1 3 258.237 1.611 10 0 CDAEHM Cc1cnc(COC(=O)c2cccc3[n-]nnc32)o1 ZINC000800207801 930424691 /nfs/dbraw/zinc/42/46/91/930424691.db2.gz GUPQFDADMKRZRX-UHFFFAOYSA-N -1 3 258.237 1.611 10 0 CDAEHM Cc1cnc(COC(=O)c2cccc3n[n-]nc32)o1 ZINC000800207801 930424697 /nfs/dbraw/zinc/42/46/97/930424697.db2.gz GUPQFDADMKRZRX-UHFFFAOYSA-N -1 3 258.237 1.611 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCC[Si](C)(C)C ZINC001136654001 931232736 /nfs/dbraw/zinc/23/27/36/931232736.db2.gz OLTHDNXRHGECHN-NSHDSACASA-N -1 3 283.448 1.733 10 0 CDAEHM C[C@@H]1CC[C@@H]1NC(=O)c1nnc2ccccc2c1[O-] ZINC001117273666 937505565 /nfs/dbraw/zinc/50/55/65/937505565.db2.gz HTPOGWLSHKVKMS-SCZZXKLOSA-N -1 3 257.293 1.864 10 0 CDAEHM CC(C)(O)CN1CCN(C(=O)c2cccc([O-])c2F)CC1 ZINC001412482518 932447668 /nfs/dbraw/zinc/44/76/68/932447668.db2.gz KQSBACSFTJTZHL-UHFFFAOYSA-N -1 3 296.342 1.060 10 0 CDAEHM COc1ccc(C(=O)N2CC(OCC(C)C)C2)c([O-])c1 ZINC001412611400 932557300 /nfs/dbraw/zinc/55/73/00/932557300.db2.gz NXXJYWJBDSFYTN-UHFFFAOYSA-N -1 3 279.336 1.898 10 0 CDAEHM Cc1ccc([C@@H]2C[C@H]2NC(=O)c2cnncc2[O-])cc1 ZINC001162969534 939166076 /nfs/dbraw/zinc/16/60/76/939166076.db2.gz ZONOWVXGYCSKAD-WCQYABFASA-N -1 3 269.304 1.777 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1CCCCO1)c1cccnc1F ZINC000401847569 940882723 /nfs/dbraw/zinc/88/27/23/940882723.db2.gz BOKNNIXMCUDEJS-VIFPVBQESA-N -1 3 274.317 1.068 10 0 CDAEHM CCn1ncc(CNC(=O)c2c[n-]c3ccccc3c2=O)n1 ZINC001280377225 942431622 /nfs/dbraw/zinc/43/16/22/942431622.db2.gz WGSMCEOGAAWVEE-UHFFFAOYSA-N -1 3 297.318 1.070 10 0 CDAEHM C[C@@H](CCCNC(=O)C1CC1)NC(=O)c1ccccc1[O-] ZINC001280797223 942491792 /nfs/dbraw/zinc/49/17/92/942491792.db2.gz ZQBRUGYXRDSNML-NSHDSACASA-N -1 3 290.363 1.817 10 0 CDAEHM C/C=C(/C)C(=O)NC[C@H](C)NC(=O)c1ccccc1[O-] ZINC001284217694 943118321 /nfs/dbraw/zinc/11/83/21/943118321.db2.gz DOGGVCXCAOHTAC-FGUAACIASA-N -1 3 276.336 1.593 10 0 CDAEHM CC[C@H](C)CC[C@H](O)CC(=O)NCCc1c(C)[n-][nH]c1=O ZINC001362242408 971059250 /nfs/dbraw/zinc/05/92/50/971059250.db2.gz JAFFIXBTAZXVBD-WCFLWFBJSA-N -1 3 297.399 1.192 10 0 CDAEHM O=C([O-])C1=CC[C@@H](NCc2cn3ccccc3n2)C1 ZINC001262163273 946482206 /nfs/dbraw/zinc/48/22/06/946482206.db2.gz MZNGXQGCADXGGU-LLVKDONJSA-N -1 3 257.293 1.597 10 0 CDAEHM CC(C)CO[C@H](C)C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001362880978 971691117 /nfs/dbraw/zinc/69/11/17/971691117.db2.gz AZAVOORHNLJZCK-SNVBAGLBSA-N -1 3 293.367 1.737 10 0 CDAEHM CC(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2[C@@H]2CCCO2)cc1[O-] ZINC001363706106 953675722 /nfs/dbraw/zinc/67/57/22/953675722.db2.gz YGICTJDSBSKJEJ-NFAWXSAZSA-N -1 3 289.331 1.892 10 0 CDAEHM COc1nc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)co1 ZINC001363177568 971949625 /nfs/dbraw/zinc/94/96/25/971949625.db2.gz QRGZWVIHCOLVNI-UHFFFAOYSA-N -1 3 292.295 1.152 10 0 CDAEHM C[C@@H](C(=O)OC(C)(C)C)N1CCC(Cc2nn[n-]n2)CC1 ZINC001364513280 954720541 /nfs/dbraw/zinc/72/05/41/954720541.db2.gz KNLTZMWHPYSTIO-JTQLQIEISA-N -1 3 295.387 1.184 10 0 CDAEHM COc1ccc(C(=O)N2Cc3cncnc3[C@@H](C)C2)c([O-])c1 ZINC001364571979 954824595 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CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000188523739 140095257 /nfs/dbraw/zinc/09/52/57/140095257.db2.gz OUIBGEIBNNVKGK-UWVGGRQHSA-N -1 3 275.374 1.166 10 0 CDAEHM COc1cc(C)nc(CNC2(C(=O)[O-])CCC2)c1 ZINC000214106949 140160200 /nfs/dbraw/zinc/16/02/00/140160200.db2.gz IBOVOPJKGWBIRP-UHFFFAOYSA-N -1 3 250.298 1.496 10 0 CDAEHM COC1(CNS(=O)(=O)c2ccc([O-])cc2)CCC1 ZINC000234740686 140230762 /nfs/dbraw/zinc/23/07/62/140230762.db2.gz RXFMOAXKMGZWJO-UHFFFAOYSA-N -1 3 271.338 1.240 10 0 CDAEHM C[N-]S(=O)(=O)c1cc(NCc2conc2C)ccc1F ZINC000419784171 397639279 /nfs/dbraw/zinc/63/92/79/397639279.db2.gz ULUNHNRNXCGSGT-UHFFFAOYSA-N -1 3 299.327 1.642 10 0 CDAEHM COc1cccc(C(=O)N2CCSC[C@@H]2C)c1[O-] ZINC000070222681 397896484 /nfs/dbraw/zinc/89/64/84/397896484.db2.gz LFEWEFBCPQWRFC-VIFPVBQESA-N -1 3 267.350 1.978 10 0 CDAEHM O[C@]1(CCN=c2[n-]cc(C(F)(F)F)s2)CCCOC1 ZINC000651470345 398046806 /nfs/dbraw/zinc/04/68/06/398046806.db2.gz OPPXKKRBIHJNFO-JTQLQIEISA-N -1 3 296.314 1.927 10 0 CDAEHM COc1nnc(NC(=O)C[C@@H](O)c2cccc(F)c2)[n-]1 ZINC000182983815 148279348 /nfs/dbraw/zinc/27/93/48/148279348.db2.gz QDMLMUPERFNQFY-SECBINFHSA-N -1 3 280.259 1.015 10 0 CDAEHM COc1nc(NC(=O)C[C@@H](O)c2cccc(F)c2)n[n-]1 ZINC000182983815 148279351 /nfs/dbraw/zinc/27/93/51/148279351.db2.gz QDMLMUPERFNQFY-SECBINFHSA-N -1 3 280.259 1.015 10 0 CDAEHM COc1n[n-]c(NC(=O)C[C@@H](O)c2cccc(F)c2)n1 ZINC000182983815 148279353 /nfs/dbraw/zinc/27/93/53/148279353.db2.gz QDMLMUPERFNQFY-SECBINFHSA-N -1 3 280.259 1.015 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](C)Cc2cccc(F)c2)[n-]1 ZINC000182986542 148279673 /nfs/dbraw/zinc/27/96/73/148279673.db2.gz QBLFHFCWGDJFAR-QMMMGPOBSA-N -1 3 278.287 1.770 10 0 CDAEHM COc1nc(NC(=O)[C@@H](C)Cc2cccc(F)c2)n[n-]1 ZINC000182986542 148279676 /nfs/dbraw/zinc/27/96/76/148279676.db2.gz QBLFHFCWGDJFAR-QMMMGPOBSA-N -1 3 278.287 1.770 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](C)Cc2cccc(F)c2)n1 ZINC000182986542 148279681 /nfs/dbraw/zinc/27/96/81/148279681.db2.gz QBLFHFCWGDJFAR-QMMMGPOBSA-N -1 3 278.287 1.770 10 0 CDAEHM COC(=O)[C@@H]1CCC[C@H](C(=O)NCc2ncccc2[O-])C1 ZINC000352498621 155228952 /nfs/dbraw/zinc/22/89/52/155228952.db2.gz CGIZEDNEODUWIG-WDEREUQCSA-N -1 3 292.335 1.383 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H](CO)C2)c1 ZINC000312543849 149234928 /nfs/dbraw/zinc/23/49/28/149234928.db2.gz FXAHYLHIKRXCDT-WDEREUQCSA-N -1 3 279.336 1.682 10 0 CDAEHM CN(C)c1cc(C(=O)NCc2ncccc2[O-])ccn1 ZINC000352501098 155230948 /nfs/dbraw/zinc/23/09/48/155230948.db2.gz MKHNVNARYTUKLM-UHFFFAOYSA-N -1 3 272.308 1.178 10 0 CDAEHM CN(C)C(=O)c1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000352502676 155232376 /nfs/dbraw/zinc/23/23/76/155232376.db2.gz XMLPSDRWUOWCCH-UHFFFAOYSA-N -1 3 299.330 1.419 10 0 CDAEHM O=C(Cc1csc2nccn12)NCc1ncccc1[O-] ZINC000352502553 155232594 /nfs/dbraw/zinc/23/25/94/155232594.db2.gz WBNNMOYMLMWEOA-UHFFFAOYSA-N -1 3 288.332 1.355 10 0 CDAEHM O=C(CCCOc1cccnc1)NCc1ncccc1[O-] ZINC000352518362 155244957 /nfs/dbraw/zinc/24/49/57/155244957.db2.gz XCIHFCWMMSVBKE-UHFFFAOYSA-N -1 3 287.319 1.658 10 0 CDAEHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H]1C[C@@](C)(O)C1 ZINC000334899556 150051642 /nfs/dbraw/zinc/05/16/42/150051642.db2.gz CRYPUYAYGLZFNF-WVSHTKLVSA-N -1 3 273.329 1.326 10 0 CDAEHM Cc1cc(NC(=O)c2cccc([O-])c2)cn(C)c1=O ZINC000335105041 150291826 /nfs/dbraw/zinc/29/18/26/150291826.db2.gz XCMUDPKZBIPHHG-UHFFFAOYSA-N -1 3 258.277 1.652 10 0 CDAEHM COc1ccc(C(=O)N2C[C@@H]3C[C@H]2CS3)c([O-])c1 ZINC000335131341 150320650 /nfs/dbraw/zinc/32/06/50/150320650.db2.gz XVADAZGJKKOJRV-WPRPVWTQSA-N -1 3 265.334 1.731 10 0 CDAEHM CC(C)[C@H]1CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000335852309 151074841 /nfs/dbraw/zinc/07/48/41/151074841.db2.gz VNTDOPDQYQHQQD-NSHDSACASA-N -1 3 286.331 1.688 10 0 CDAEHM CC(C)[C@@H]1C[C@H](NC(=O)NCc2ncccc2[O-])CCO1 ZINC000349787165 154217963 /nfs/dbraw/zinc/21/79/63/154217963.db2.gz ITDAKTQYYOUGAT-RISCZKNCSA-N -1 3 293.367 1.790 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)cn1C ZINC000352351876 155113938 /nfs/dbraw/zinc/11/39/38/155113938.db2.gz 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Cc1cc(Cl)cc(NC(=O)C[C@@H](C)NC(N)=O)c1[O-] ZINC000654967475 413850412 /nfs/dbraw/zinc/85/04/12/413850412.db2.gz WMZOSKSXTSXIOG-SSDOTTSWSA-N -1 3 285.731 1.739 10 0 CDAEHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC2(C1)CCCOC2 ZINC000655080774 414013395 /nfs/dbraw/zinc/01/33/95/414013395.db2.gz UKMTVDVOAKRRRG-UHFFFAOYSA-N -1 3 289.335 1.312 10 0 CDAEHM C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000663132408 413979731 /nfs/dbraw/zinc/97/97/31/413979731.db2.gz JBRXYYGNMTWTEC-MJBXVCDLSA-N -1 3 296.411 1.724 10 0 CDAEHM CN1CC[C@H]2OCCN(C(=O)c3c([O-])cccc3F)[C@@H]2C1 ZINC000285734519 196382486 /nfs/dbraw/zinc/38/24/86/196382486.db2.gz KRXFJSAJUGHHCR-DGCLKSJQSA-N -1 3 294.326 1.076 10 0 CDAEHM OC1(CN=c2ncnc3[nH][n-]cc2-3)CCC(F)(F)CC1 ZINC000663233490 414070729 /nfs/dbraw/zinc/07/07/29/414070729.db2.gz FVCFHZDFGAPEJA-UHFFFAOYSA-N -1 3 283.282 1.079 10 0 CDAEHM C[N@H+](Cc1cc(=O)[n-]c(C2CC2)n1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659801009 414129691 /nfs/dbraw/zinc/12/96/91/414129691.db2.gz 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CCC[C@@H](N)C(=O)N(CC(=O)[O-])c1cccc(Cl)c1 ZINC000040484624 174288300 /nfs/dbraw/zinc/28/83/00/174288300.db2.gz OQIMDNFLFFKSTG-LLVKDONJSA-N -1 3 284.743 1.885 10 0 CDAEHM CCC[C@H](N)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000040486397 174289223 /nfs/dbraw/zinc/28/92/23/174289223.db2.gz VVXOYQDBDVWMSK-NSHDSACASA-N -1 3 250.298 1.128 10 0 CDAEHM NC1(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)CCCC1 ZINC000040486716 174289491 /nfs/dbraw/zinc/28/94/91/174289491.db2.gz LGTHIBSLPDXCKD-LLVKDONJSA-N -1 3 268.357 1.408 10 0 CDAEHM CCN1CCC[C@H](NC(=O)CC2(C(=O)[O-])CCCC2)C1 ZINC000040503029 174300070 /nfs/dbraw/zinc/30/00/70/174300070.db2.gz CRBZYIHGSBUDLH-LBPRGKRZSA-N -1 3 282.384 1.622 10 0 CDAEHM CCCc1nnc(SCC(=O)[O-])n1[C@H]1CCCN(C)C1 ZINC000040715919 174383287 /nfs/dbraw/zinc/38/32/87/174383287.db2.gz YETRZYFCGQOUHX-JTQLQIEISA-N -1 3 298.412 1.674 10 0 CDAEHM CN1CCC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2O)C1 ZINC000040716451 174383648 /nfs/dbraw/zinc/38/36/48/174383648.db2.gz ANIYPLWKRBBBHK-SNVBAGLBSA-N -1 3 293.323 1.306 10 0 CDAEHM O=C(CN1CCO[C@H]2CCC[C@@H]21)c1cc(F)ccc1[O-] ZINC000043426364 175040679 /nfs/dbraw/zinc/04/06/79/175040679.db2.gz GIJUTYYLSKMUPH-WFASDCNBSA-N -1 3 279.311 1.967 10 0 CDAEHM C[C@@H](C(=O)N1CCC[C@@H]1C(=O)[O-])N1[C@@H](C)CC[C@@H]1C ZINC000043559507 175065410 /nfs/dbraw/zinc/06/54/10/175065410.db2.gz MXQNXEWLZJDBAK-FIQHERPVSA-N -1 3 268.357 1.323 10 0 CDAEHM CCN(CCC(=O)[O-])C(=O)[C@@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000043559644 175065772 /nfs/dbraw/zinc/06/57/72/175065772.db2.gz LVQHQFNALKJDIY-SDDRHHMPSA-N -1 3 270.373 1.571 10 0 CDAEHM COc1cccc(CNC2CC2)c1O[C@@H](C)C(=O)[O-] ZINC000043625037 175081682 /nfs/dbraw/zinc/08/16/82/175081682.db2.gz MUVXEHGQAZSXTJ-VIFPVBQESA-N -1 3 265.309 1.799 10 0 CDAEHM CN(Cc1ccccc1Br)C[C@H](N)C(=O)[O-] ZINC000043700218 175097252 /nfs/dbraw/zinc/09/72/52/175097252.db2.gz LFBYUUGNGLEJHI-JTQLQIEISA-N -1 3 287.157 1.293 10 0 CDAEHM CN1CCC[C@H](Cn2ccnc2SCC(=O)[O-])C1 ZINC000044538105 175200211 /nfs/dbraw/zinc/20/02/11/175200211.db2.gz SAHCNQIPYVGUPB-JTQLQIEISA-N -1 3 269.370 1.402 10 0 CDAEHM CCC[C@@](C)(NC(=O)NC[C@H]1CCCCN1C)C(=O)[O-] ZINC000044565665 175208271 /nfs/dbraw/zinc/20/82/71/175208271.db2.gz MYYPKEWCNSLWEB-BXUZGUMPSA-N -1 3 285.388 1.413 10 0 CDAEHM COCCOCCNc1nc(C)cc(C)c1C(=O)[O-] ZINC000044728109 175239084 /nfs/dbraw/zinc/23/90/84/175239084.db2.gz UBUGPQQSHABKII-UHFFFAOYSA-N -1 3 268.313 1.472 10 0 CDAEHM CC(C)N(CCC(=O)[O-])C(=O)NC[C@@H](C)N1CCCCC1 ZINC000045013321 175290546 /nfs/dbraw/zinc/29/05/46/175290546.db2.gz WKGDELRMTCYCIS-CYBMUJFWSA-N -1 3 299.415 1.756 10 0 CDAEHM CCCN(CC(N)=S)C(=O)c1cc(OC)ccc1[O-] ZINC000045093264 175306154 /nfs/dbraw/zinc/30/61/54/175306154.db2.gz DSRKICLOHCRECX-UHFFFAOYSA-N -1 3 282.365 1.539 10 0 CDAEHM CC1(C)CN(C[C@](N)(C(=O)[O-])c2ccccc2)CCO1 ZINC000045271450 175342209 /nfs/dbraw/zinc/34/22/09/175342209.db2.gz ZPJRUACLAOQZCB-OAHLLOKOSA-N -1 3 278.352 1.036 10 0 CDAEHM CCCN(CCN(C)C)C(=O)/C(C)=C(/C)C(=O)[O-] ZINC000071165790 176048121 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/nfs/dbraw/zinc/95/42/83/423954283.db2.gz SFPBADGODBVGMD-UHFFFAOYSA-N -1 3 292.379 1.981 10 0 CDAEHM C[C@@H](CCO)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000652965850 424020093 /nfs/dbraw/zinc/02/00/93/424020093.db2.gz GBYKSGJXCDSKGK-JTQLQIEISA-N -1 3 274.320 1.371 10 0 CDAEHM O=S(=O)([N-][C@@H](C1CC1)[C@H]1CCCCO1)c1ccco1 ZINC000655624105 424201320 /nfs/dbraw/zinc/20/13/20/424201320.db2.gz BUNCRSLZFYWHLC-YPMHNXCESA-N -1 3 285.365 1.906 10 0 CDAEHM CCN(C(=O)c1cc(F)cc2[n-]nnc21)[C@H]1CCCOC1 ZINC000652815272 424247421 /nfs/dbraw/zinc/24/74/21/424247421.db2.gz BOJIFFRMUJDUOW-JTQLQIEISA-N -1 3 292.314 1.738 10 0 CDAEHM CCN(C(=O)c1cc(F)cc2nn[n-]c21)[C@H]1CCCOC1 ZINC000652815272 424247428 /nfs/dbraw/zinc/24/74/28/424247428.db2.gz BOJIFFRMUJDUOW-JTQLQIEISA-N -1 3 292.314 1.738 10 0 CDAEHM CCN(C(=O)c1cc(F)cc2n[n-]nc21)[C@H]1CCCOC1 ZINC000652815272 424247433 /nfs/dbraw/zinc/24/74/33/424247433.db2.gz BOJIFFRMUJDUOW-JTQLQIEISA-N -1 3 292.314 1.738 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1C[C@@H]2COC[C@@]2(C)C1 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/nfs/dbraw/zinc/64/00/09/290640009.db2.gz CRVFLBFJAHLTRZ-ZANVPECISA-N -1 3 294.380 1.515 10 0 CDAEHM CSC1(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)CC1 ZINC000190640656 539064298 /nfs/dbraw/zinc/06/42/98/539064298.db2.gz ZXNQFLWMGGZMKT-UHFFFAOYSA-N -1 3 289.364 1.625 10 0 CDAEHM CSC1(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)CC1 ZINC000190640656 539064299 /nfs/dbraw/zinc/06/42/99/539064299.db2.gz ZXNQFLWMGGZMKT-UHFFFAOYSA-N -1 3 289.364 1.625 10 0 CDAEHM CCOc1cc(F)c(S(=O)(=O)[N-]C)cc1F ZINC000669380318 539072280 /nfs/dbraw/zinc/07/22/80/539072280.db2.gz LGLCMCNFEBPVLP-UHFFFAOYSA-N -1 3 251.254 1.272 10 0 CDAEHM O=C(c1cc([O-])c2ccccc2c1)N1CCNC(=O)C1 ZINC000335178211 539060866 /nfs/dbraw/zinc/06/08/66/539060866.db2.gz CNFSLWWORJJSIZ-UHFFFAOYSA-N -1 3 270.288 1.117 10 0 CDAEHM C[C@@H](F)CC[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000549914918 539091090 /nfs/dbraw/zinc/09/10/90/539091090.db2.gz MGFNZACCROGKAH-SSDOTTSWSA-N -1 3 289.357 1.718 10 0 CDAEHM C[C@@H]1CN(C(=O)c2c([O-])cccc2O)C[C@@H](C)C1O ZINC000622162741 342261110 /nfs/dbraw/zinc/26/11/10/342261110.db2.gz WTFJFLUILAPWFJ-RKDXNWHRSA-N -1 3 265.309 1.187 10 0 CDAEHM COc1ccc(C)nc1[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000611823868 346887713 /nfs/dbraw/zinc/88/77/13/346887713.db2.gz WPDYILDNVNQIAS-UHFFFAOYSA-N -1 3 290.327 1.392 10 0 CDAEHM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)C1CCCCC1 ZINC000594865613 342965374 /nfs/dbraw/zinc/96/53/74/342965374.db2.gz MHWPYGCYBCAKHE-LBPRGKRZSA-N -1 3 295.376 1.530 10 0 CDAEHM CSc1ccc([O-])c(C(=O)N2CCC[C@](O)(CO)C2)c1 ZINC000616212734 342998176 /nfs/dbraw/zinc/99/81/76/342998176.db2.gz WCRCFPIQOYLCKQ-CQSZACIVSA-N -1 3 297.376 1.074 10 0 CDAEHM COC(=O)c1cc(CNC[C@@H](C(=O)[O-])C2CCC2)oc1C ZINC000596656262 343364037 /nfs/dbraw/zinc/36/40/37/343364037.db2.gz AZTVHMQRFCVMCZ-CYBMUJFWSA-N -1 3 295.335 1.965 10 0 CDAEHM COC(=O)[C@@H]1CCN(C(=O)c2cc(SC)ccc2[O-])C1 ZINC000596850533 343403182 /nfs/dbraw/zinc/40/31/82/343403182.db2.gz HDSGBMJCRAPAEP-SECBINFHSA-N -1 3 295.360 1.749 10 0 CDAEHM C[C@@H]1COC2(CCC2)CN1C(=O)c1cccc2[n-]nnc21 ZINC000617944598 343700744 /nfs/dbraw/zinc/70/07/44/343700744.db2.gz ANMFCQHUFMNITD-SNVBAGLBSA-N -1 3 286.335 1.742 10 0 CDAEHM C[C@@H]1COC2(CCC2)CN1C(=O)c1cccc2nn[n-]c21 ZINC000617944598 343700745 /nfs/dbraw/zinc/70/07/45/343700745.db2.gz ANMFCQHUFMNITD-SNVBAGLBSA-N -1 3 286.335 1.742 10 0 CDAEHM C[C@@H]1COC2(CCC2)CN1C(=O)c1cccc2n[n-]nc21 ZINC000617944598 343700746 /nfs/dbraw/zinc/70/07/46/343700746.db2.gz ANMFCQHUFMNITD-SNVBAGLBSA-N -1 3 286.335 1.742 10 0 CDAEHM Cc1cccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]2O)c1F ZINC000273185433 192069070 /nfs/dbraw/zinc/06/90/70/192069070.db2.gz MGZKKIYDEIEOCD-QWRGUYRKSA-N -1 3 287.356 1.573 10 0 CDAEHM CCc1cc(C(=O)NC[C@@H](OC)[C@H]2CCOC2)ccc1[O-] ZINC000617129456 344860677 /nfs/dbraw/zinc/86/06/77/344860677.db2.gz HROYVZSQYASCOC-DZGCQCFKSA-N -1 3 293.363 1.736 10 0 CDAEHM CCCN(CCN(C)C)C(=O)N[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000085341366 179026178 /nfs/dbraw/zinc/02/61/78/179026178.db2.gz UZKNWDNMTIOKJP-STQMWFEESA-N -1 3 299.415 1.613 10 0 CDAEHM Nc1ccc2[nH]cc(S(=O)(=O)[N-]CC(F)(F)F)c2c1 ZINC000085377157 179044607 /nfs/dbraw/zinc/04/46/07/179044607.db2.gz PRGFIDVWRRLGGY-UHFFFAOYSA-N -1 3 293.270 1.591 10 0 CDAEHM CC(C)CO[C@H]1C[C@@H](N[C@@H](C)c2nn[n-]n2)C1(C)C ZINC000085401387 179052163 /nfs/dbraw/zinc/05/21/63/179052163.db2.gz RGINOXZCBMVMKV-AXFHLTTASA-N -1 3 267.377 1.690 10 0 CDAEHM CC(C)CO[C@H]1C[C@@H](N[C@@H](C)c2nnn[n-]2)C1(C)C ZINC000085401387 179052166 /nfs/dbraw/zinc/05/21/66/179052166.db2.gz RGINOXZCBMVMKV-AXFHLTTASA-N -1 3 267.377 1.690 10 0 CDAEHM Cc1ccc(-c2nc(C)c(CCO)c(=O)[n-]2)cc1C ZINC000085404014 179053914 /nfs/dbraw/zinc/05/39/14/179053914.db2.gz VUIGLVOZZWAKMF-UHFFFAOYSA-N -1 3 258.321 1.897 10 0 CDAEHM CC(=O)c1cccc(NC(=O)[C@@]2(C)CCN(C)C2=O)c1[O-] ZINC000635928816 362738721 /nfs/dbraw/zinc/73/87/21/362738721.db2.gz AEKLPJQSKACLAD-OAHLLOKOSA-N -1 3 290.319 1.402 10 0 CDAEHM CC(C)(C)Cc1cccc(S(N)(=O)=O)c1-c1nnn[n-]1 ZINC000584596832 346495732 /nfs/dbraw/zinc/49/57/32/346495732.db2.gz MWIUUVQQBKOPOE-UHFFFAOYSA-N -1 3 295.368 1.103 10 0 CDAEHM CC(C)(C)Cc1cccc(S(N)(=O)=O)c1-c1nn[n-]n1 ZINC000584596832 346495735 /nfs/dbraw/zinc/49/57/35/346495735.db2.gz MWIUUVQQBKOPOE-UHFFFAOYSA-N -1 3 295.368 1.103 10 0 CDAEHM CCO[C@@H]1C[C@H](NCc2nn[n-]n2)C12CCCC2 ZINC000085680857 179114350 /nfs/dbraw/zinc/11/43/50/179114350.db2.gz FUTKETBPOHUUSL-VHSXEESVSA-N -1 3 251.334 1.027 10 0 CDAEHM CCO[C@@H]1C[C@H](NCc2nnn[n-]2)C12CCCC2 ZINC000085680857 179114351 /nfs/dbraw/zinc/11/43/51/179114351.db2.gz FUTKETBPOHUUSL-VHSXEESVSA-N -1 3 251.334 1.027 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000626677584 346741971 /nfs/dbraw/zinc/74/19/71/346741971.db2.gz MIKYZRSQIBHOPH-CYBMUJFWSA-N -1 3 289.331 1.521 10 0 CDAEHM C[C@H](NC(=O)[C@@H](N)CC(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000085810820 179177506 /nfs/dbraw/zinc/17/75/06/179177506.db2.gz MYDNOGPKZPWZJF-GGMOUMASSA-N -1 3 294.395 1.510 10 0 CDAEHM C[C@@H](Cc1cccc(Cl)c1)NC(=O)[C@H](N)CCC(=O)[O-] ZINC000085819466 179182117 /nfs/dbraw/zinc/18/21/17/179182117.db2.gz SBUKWZYSQWKNSJ-JOYOIKCWSA-N -1 3 298.770 1.579 10 0 CDAEHM N[C@H](CCC(=O)[O-])C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000085819589 179182645 /nfs/dbraw/zinc/18/26/45/179182645.db2.gz FTAUDZDVXNKINN-MYHLZPBCSA-N -1 3 280.368 1.119 10 0 CDAEHM C[C@@H](NC(=O)[C@H](N)CCC(=O)[O-])c1cc2ccccc2o1 ZINC000085819604 179182876 /nfs/dbraw/zinc/18/28/76/179182876.db2.gz DBAGXMAMPNTEKI-MWLCHTKSSA-N -1 3 290.319 1.802 10 0 CDAEHM Cc1ccc(NC(=O)[C@@H](N)CCC(=O)[O-])c2cccnc12 ZINC000085819805 179183225 /nfs/dbraw/zinc/18/32/25/179183225.db2.gz ZFEUBEWLFQUNPI-NSHDSACASA-N -1 3 287.319 1.674 10 0 CDAEHM CC(C)CCCCCCNC(=O)[C@H](N)CCC(=O)[O-] ZINC000085842155 179184679 /nfs/dbraw/zinc/18/46/79/179184679.db2.gz HRVWZHQICTUKTQ-GFCCVEGCSA-N -1 3 272.389 1.901 10 0 CDAEHM C[C@H](NC(=O)[C@H](N)CCC(=O)[O-])c1ccc(F)cc1 ZINC000085841800 179184829 /nfs/dbraw/zinc/18/48/29/179184829.db2.gz YABZVEWCYCBGPA-GZMMTYOYSA-N -1 3 268.288 1.195 10 0 CDAEHM Cc1ccccc1N(C)C(=O)[C@@H](N)CCC(=O)[O-] ZINC000085843764 179186278 /nfs/dbraw/zinc/18/62/78/179186278.db2.gz AWJWMMISUHXHPC-JTQLQIEISA-N -1 3 250.298 1.150 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000085815734 179179600 /nfs/dbraw/zinc/17/96/00/179179600.db2.gz DUVGBLVDGIFCDC-OLZOCXBDSA-N -1 3 276.336 1.022 10 0 CDAEHM O=c1[n-]c(=O)n(C/C(Cl)=C\Cl)cc1Br ZINC000086001322 179213998 /nfs/dbraw/zinc/21/39/98/179213998.db2.gz XBARMKDKQDGIOV-DAFODLJHSA-N -1 3 299.939 1.618 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N(C)CC(=O)NC(C)(C)C ZINC000623580192 347644413 /nfs/dbraw/zinc/64/44/13/347644413.db2.gz JHXLONUNGDWIFY-UHFFFAOYSA-N -1 3 278.352 1.687 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N[C@H]2C[C@H](O)C23CCC3)c1 ZINC000619076312 348172613 /nfs/dbraw/zinc/17/26/13/348172613.db2.gz ABHFBWMCWMLHKE-KBPBESRZSA-N -1 3 275.348 1.988 10 0 CDAEHM Cc1cc(C(=O)N[C@@H]2C[C@H](O)C23CCC3)ccc1[O-] ZINC000619078024 348188883 /nfs/dbraw/zinc/18/88/83/348188883.db2.gz NSWFUHXGBXCOJI-OLZOCXBDSA-N -1 3 261.321 1.734 10 0 CDAEHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCCN1 ZINC000614739743 348210864 /nfs/dbraw/zinc/21/08/64/348210864.db2.gz REYJZTXQTFTQKF-UHFFFAOYSA-N -1 3 257.293 1.269 10 0 CDAEHM C[C@@H](CC(=O)NCCCc1cc(=O)[nH][n-]1)c1cccnc1 ZINC000614921010 348274991 /nfs/dbraw/zinc/27/49/91/348274991.db2.gz LSVWMNSFACFWNT-NSHDSACASA-N -1 3 288.351 1.348 10 0 CDAEHM CC(=O)C(C)(C)CCC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614924499 348276064 /nfs/dbraw/zinc/27/60/64/348276064.db2.gz XUMVTZYSMRYVKL-UHFFFAOYSA-N -1 3 281.356 1.154 10 0 CDAEHM O=C(C[C@]12CCCC[C@H]1C2(F)F)[N-]c1nnc2[nH]cnn12 ZINC000614996580 348298451 /nfs/dbraw/zinc/29/84/51/348298451.db2.gz MKZUSARKTIJWBA-RDDDGLTNSA-N -1 3 296.281 1.607 10 0 CDAEHM O=C(NC[C@@H]1CCCOC1)c1cc(=O)c2ccccc2[n-]1 ZINC000056120925 348401535 /nfs/dbraw/zinc/40/15/35/348401535.db2.gz IKAQGCUECRARLX-NSHDSACASA-N -1 3 286.331 1.685 10 0 CDAEHM O=C(NC[C@H]1CCCOC1)c1cc(=O)c2ccccc2[n-]1 ZINC000056120927 348401543 /nfs/dbraw/zinc/40/15/43/348401543.db2.gz IKAQGCUECRARLX-LLVKDONJSA-N -1 3 286.331 1.685 10 0 CDAEHM Cc1nnc(CNC(=O)c2cccc([O-])c2)n1C1CC1 ZINC000273466122 192162516 /nfs/dbraw/zinc/16/25/16/192162516.db2.gz HHSZOMLZGHROSL-UHFFFAOYSA-N -1 3 272.308 1.557 10 0 CDAEHM CCN=c1[n-]c(C(=O)N[C@@H](C)c2cscn2)cs1 ZINC000617833911 348667594 /nfs/dbraw/zinc/66/75/94/348667594.db2.gz DWNKMKNUVFEUHF-ZETCQYMHSA-N -1 3 282.394 1.944 10 0 CDAEHM CN(CC1CN(C)C1)C(=O)c1c([O-])cccc1F ZINC000618190768 349396668 /nfs/dbraw/zinc/39/66/68/349396668.db2.gz FRHCVCKRMGYHQO-UHFFFAOYSA-N -1 3 252.289 1.165 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CCC[C@@](O)(C3CC3)C2)c1 ZINC000618285904 349427614 /nfs/dbraw/zinc/42/76/14/349427614.db2.gz AQQNYRKVFOHMAI-INIZCTEOSA-N -1 3 291.347 1.778 10 0 CDAEHM CC(C)[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C1CC1 ZINC000620041814 350009922 /nfs/dbraw/zinc/00/99/22/350009922.db2.gz NKXPUMWHOBARHP-ZDUSSCGKSA-N -1 3 286.331 1.735 10 0 CDAEHM CN(C)[C@@H](Cc1ccccc1)C(=O)Nc1ncccc1[O-] ZINC000106455046 186118486 /nfs/dbraw/zinc/11/84/86/186118486.db2.gz HTBJRQLWEIJPLP-ZDUSSCGKSA-N -1 3 285.347 1.899 10 0 CDAEHM O=C(NCc1noc(C2CC2)n1)c1cc(F)c[n-]c1=O ZINC000621937241 350872876 /nfs/dbraw/zinc/87/28/76/350872876.db2.gz ZKFJNSZGALMXFF-UHFFFAOYSA-N -1 3 278.243 1.117 10 0 CDAEHM O=C(NCCO[C@H]1CC1(F)F)c1c([O-])cccc1O ZINC000622161114 351043511 /nfs/dbraw/zinc/04/35/11/351043511.db2.gz JGHQZLAHHVWZPL-VIFPVBQESA-N -1 3 273.235 1.252 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)CCC(F)(F)F)[C@H](O)C(F)F ZINC000451705604 363078186 /nfs/dbraw/zinc/07/81/86/363078186.db2.gz FOVOORFURVAKQV-WDSKDSINSA-N -1 3 299.261 1.263 10 0 CDAEHM COC(=O)c1ccc(CNCc2ncccc2[O-])[nH]1 ZINC000355337789 366077451 /nfs/dbraw/zinc/07/74/51/366077451.db2.gz SKDMGCRAPDUXEV-UHFFFAOYSA-N -1 3 261.281 1.192 10 0 CDAEHM Cn1ccc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@@H]2CCCO2)n1 ZINC000632706181 363099329 /nfs/dbraw/zinc/09/93/29/363099329.db2.gz YFLIYXUHBXZQRX-AAEUAGOBSA-N -1 3 299.396 1.046 10 0 CDAEHM Cc1ccc(CC(=O)[N-]OCc2cc(C)ncn2)cc1 ZINC000292091919 198160677 /nfs/dbraw/zinc/16/06/77/198160677.db2.gz NTLAVFINSMKSKY-UHFFFAOYSA-N -1 3 271.320 1.884 10 0 CDAEHM COc1cc(C(=O)N[C@H](C)[C@H](C)OC)cc(OC)c1[O-] ZINC000292453588 198294355 /nfs/dbraw/zinc/29/43/55/198294355.db2.gz GEQRKPKFDQLTBZ-BDAKNGLRSA-N -1 3 283.324 1.563 10 0 CDAEHM CCNC(=O)N1CC[C@@H](NC(=O)c2cccc(C)c2[O-])C1 ZINC000157994677 188351429 /nfs/dbraw/zinc/35/14/29/188351429.db2.gz WDQKNCJXTWRYCX-LLVKDONJSA-N -1 3 291.351 1.234 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2CCCc3ccccc32)[n-]1 ZINC000158877960 188398148 /nfs/dbraw/zinc/39/81/48/188398148.db2.gz TVMFJNONZMFSHF-LLVKDONJSA-N -1 3 272.308 1.872 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2CCCc3ccccc32)n[n-]1 ZINC000158877960 188398149 /nfs/dbraw/zinc/39/81/49/188398149.db2.gz TVMFJNONZMFSHF-LLVKDONJSA-N -1 3 272.308 1.872 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2CCCc3ccccc32)n1 ZINC000158877960 188398151 /nfs/dbraw/zinc/39/81/51/188398151.db2.gz TVMFJNONZMFSHF-LLVKDONJSA-N -1 3 272.308 1.872 10 0 CDAEHM CC[C@@H]1[C@H](CO)CCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000569987041 363268616 /nfs/dbraw/zinc/26/86/16/363268616.db2.gz NRKWDUWTVACUSI-CMPLNLGQSA-N -1 3 291.351 1.293 10 0 CDAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccs2)[C@H](C)O1 ZINC000632649047 363296477 /nfs/dbraw/zinc/29/64/77/363296477.db2.gz XZGPCDDBYGLAKT-VGMNWLOBSA-N -1 3 261.368 1.592 10 0 CDAEHM O=S(=O)([N-]C1(CF)CCOCC1)c1cccc(F)c1 ZINC000336305620 363336548 /nfs/dbraw/zinc/33/65/48/363336548.db2.gz YPYGTHKUWJMQPR-UHFFFAOYSA-N -1 3 291.319 1.623 10 0 CDAEHM Cc1cc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)ccn1 ZINC000448261939 363329429 /nfs/dbraw/zinc/32/94/29/363329429.db2.gz SMFNYMGWWBAGPV-UHFFFAOYSA-N -1 3 282.307 1.766 10 0 CDAEHM Cc1cc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)ccn1 ZINC000448261939 363329434 /nfs/dbraw/zinc/32/94/34/363329434.db2.gz SMFNYMGWWBAGPV-UHFFFAOYSA-N -1 3 282.307 1.766 10 0 CDAEHM COCCS(=O)(=O)[N-]c1cccc(-c2noc(C)n2)c1 ZINC000265628938 363356781 /nfs/dbraw/zinc/35/67/81/363356781.db2.gz MKKAPDKCKCRCQR-UHFFFAOYSA-N -1 3 297.336 1.433 10 0 CDAEHM Cc1ccc([O-])c(CN2CCC[C@@H](CS(C)(=O)=O)C2)n1 ZINC000293921430 358488975 /nfs/dbraw/zinc/48/89/75/358488975.db2.gz MONZYUKIANRRJG-GFCCVEGCSA-N -1 3 298.408 1.352 10 0 CDAEHM CC(C)[C@@H](O)CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000265976993 363452459 /nfs/dbraw/zinc/45/24/59/363452459.db2.gz WCMUJPZRMXAXKS-LBPRGKRZSA-N -1 3 270.304 1.347 10 0 CDAEHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1CCCN1C ZINC000276996990 366256019 /nfs/dbraw/zinc/25/60/19/366256019.db2.gz WNXDUVCBUHAQPJ-NSHDSACASA-N -1 3 286.372 1.507 10 0 CDAEHM O=c1c2ccc([O-])cc2cnn1C[C@H]1CCSC1 ZINC000634629023 356597068 /nfs/dbraw/zinc/59/70/68/356597068.db2.gz KZVXTRIGRAQOJZ-SECBINFHSA-N -1 3 262.334 1.855 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000528558857 356692346 /nfs/dbraw/zinc/69/23/46/356692346.db2.gz YAYXPOQJIYWXJX-JXVAYASWSA-N -1 3 288.344 1.311 10 0 CDAEHM CC(C)(C)OC(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)[O-] ZINC000145217428 357266993 /nfs/dbraw/zinc/26/69/93/357266993.db2.gz XUCMGTQNJKIUTJ-ZJUUUORDSA-N -1 3 270.329 1.155 10 0 CDAEHM O=C(CCNC(=O)c1cccc([O-])c1)NC1CCCCC1 ZINC000182155795 357414701 /nfs/dbraw/zinc/41/47/01/357414701.db2.gz RWCJOBYTXBVCFZ-UHFFFAOYSA-N -1 3 290.363 1.961 10 0 CDAEHM CCCC(=O)NCC(=O)Nc1ccc(OC)cc1[O-] ZINC000135420030 538883497 /nfs/dbraw/zinc/88/34/97/538883497.db2.gz WKPPHIRJNJDRRK-UHFFFAOYSA-N -1 3 266.297 1.256 10 0 CDAEHM C/C=C/C[N-]S(=O)(=O)c1cnccc1OCC ZINC000625557339 357885083 /nfs/dbraw/zinc/88/50/83/357885083.db2.gz KYGNHXUHXPOFAH-HWKANZROSA-N -1 3 256.327 1.335 10 0 CDAEHM C[C@]1(C[N-]S(=O)(=O)c2ccco2)C[C@H]2C[C@H]2C1 ZINC000625560697 357890172 /nfs/dbraw/zinc/89/01/72/357890172.db2.gz OWQDYQFIUWPVRZ-IAZYJMLFSA-N -1 3 255.339 1.994 10 0 CDAEHM Cc1ccc(C(=O)N2CC(NC(=O)C3CCC3)C2)c([O-])c1 ZINC000188487634 357902572 /nfs/dbraw/zinc/90/25/72/357902572.db2.gz KTZCCVCYQCDQJF-UHFFFAOYSA-N -1 3 288.347 1.441 10 0 CDAEHM O=C(c1cc([O-])ccc1F)N1CCN2CCCC[C@@H]2C1 ZINC000294682501 199131918 /nfs/dbraw/zinc/13/19/18/199131918.db2.gz JXTIWLBCCBVOEF-LLVKDONJSA-N 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293.363 1.400 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1CO[C@H](C2CC2)C1 ZINC000629122375 361584343 /nfs/dbraw/zinc/58/43/43/361584343.db2.gz MHCWZNKGEUZXLC-RISCZKNCSA-N -1 3 279.311 1.758 10 0 CDAEHM Cc1ccc(C(=O)N2CC(n3ccnn3)C2)c([O-])c1C ZINC000436933483 361613461 /nfs/dbraw/zinc/61/34/61/361613461.db2.gz CHSDYEIMPHRICZ-UHFFFAOYSA-N -1 3 272.308 1.298 10 0 CDAEHM Cc1ncsc1CCNC(=O)NCc1ncccc1[O-] ZINC000455337172 252389442 /nfs/dbraw/zinc/38/94/42/252389442.db2.gz ZPSAUSZJCHELRZ-UHFFFAOYSA-N -1 3 292.364 1.594 10 0 CDAEHM CSc1nnc(NC(=O)c2ccnc3ccncc32)[n-]1 ZINC000352788467 363903341 /nfs/dbraw/zinc/90/33/41/363903341.db2.gz KBBOCDZNFGNNIO-UHFFFAOYSA-N -1 3 286.320 1.722 10 0 CDAEHM CSc1n[n-]c(NC(=O)c2ccnc3ccncc32)n1 ZINC000352788467 363903343 /nfs/dbraw/zinc/90/33/43/363903343.db2.gz KBBOCDZNFGNNIO-UHFFFAOYSA-N -1 3 286.320 1.722 10 0 CDAEHM CSc1nc(NC(=O)c2ccnc3ccncc32)n[n-]1 ZINC000352788467 363903347 /nfs/dbraw/zinc/90/33/47/363903347.db2.gz KBBOCDZNFGNNIO-UHFFFAOYSA-N -1 3 286.320 1.722 10 0 CDAEHM CCc1cccc(C(=O)N2CCO[C@@](C)(COC)C2)c1[O-] ZINC000629901387 364116872 /nfs/dbraw/zinc/11/68/72/364116872.db2.gz OQJRETYAERZPCM-MRXNPFEDSA-N -1 3 293.363 1.832 10 0 CDAEHM COC(=O)c1ccc(C(=O)Nc2cn(C)nc2C(C)C)[n-]1 ZINC000293660687 370735534 /nfs/dbraw/zinc/73/55/34/370735534.db2.gz PNGNOGZCSRFUOX-UHFFFAOYSA-N -1 3 290.323 1.911 10 0 CDAEHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)C12CC(C1)C2 ZINC000629952923 364246286 /nfs/dbraw/zinc/24/62/86/364246286.db2.gz ICSIJAQEOBIWQX-UHFFFAOYSA-N -1 3 254.293 1.632 10 0 CDAEHM O=S(=O)(CC1CC1)[N-][C@H](CO)c1c(F)cccc1F ZINC000269776562 364338903 /nfs/dbraw/zinc/33/89/03/364338903.db2.gz NXAZRWHKUJZYSD-LLVKDONJSA-N -1 3 291.319 1.328 10 0 CDAEHM CC(C)CO[N-]C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000269655673 364286554 /nfs/dbraw/zinc/28/65/54/364286554.db2.gz GEBATAJZUHUSKH-UHFFFAOYSA-N -1 3 279.296 1.727 10 0 CDAEHM O=S1(=O)CC[C@@H](C[N-]C(=S)OCc2ccccc2)C1 ZINC000040167362 364650000 /nfs/dbraw/zinc/65/00/00/364650000.db2.gz VDZVXZPARNBUGI-LBPRGKRZSA-N 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DTLZYDYVMRPWCN-LLVKDONJSA-N -1 3 299.330 1.605 10 0 CDAEHM CC(=O)c1ccc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1[O-] ZINC000412193079 240074927 /nfs/dbraw/zinc/07/49/27/240074927.db2.gz DTLZYDYVMRPWCN-LLVKDONJSA-N -1 3 299.330 1.605 10 0 CDAEHM CC(C)CCOCCNC(=O)NCc1ncccc1[O-] ZINC000471773896 364973530 /nfs/dbraw/zinc/97/35/30/364973530.db2.gz SDGYXJBVFAOKIA-UHFFFAOYSA-N -1 3 281.356 1.649 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)n1 ZINC000272382189 365213882 /nfs/dbraw/zinc/21/38/82/365213882.db2.gz WNLASEIMPPCFJV-QWHCGFSZSA-N -1 3 293.411 1.974 10 0 CDAEHM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2cccc([O-])c2)C1 ZINC000272728833 365368663 /nfs/dbraw/zinc/36/86/63/365368663.db2.gz JPPNICIVHNJOMK-OLZOCXBDSA-N -1 3 290.363 1.769 10 0 CDAEHM COc1cc(C(=O)N[C@@H](C)[C@H](C)CO)ccc1[O-] ZINC000272661007 365340987 /nfs/dbraw/zinc/34/09/87/365340987.db2.gz SMBIEOWBPNVJIU-BDAKNGLRSA-N -1 3 253.298 1.148 10 0 CDAEHM CC(C)C[C@H](CO)N(C)C(=O)c1cccc2[n-]nnc21 ZINC000188867249 365451981 /nfs/dbraw/zinc/45/19/81/365451981.db2.gz JCXXNDXJZHAGQS-SNVBAGLBSA-N -1 3 276.340 1.437 10 0 CDAEHM CC(C)C[C@H](CO)N(C)C(=O)c1cccc2nn[n-]c21 ZINC000188867249 365451988 /nfs/dbraw/zinc/45/19/88/365451988.db2.gz JCXXNDXJZHAGQS-SNVBAGLBSA-N -1 3 276.340 1.437 10 0 CDAEHM CC(C)C[C@H](CO)N(C)C(=O)c1cccc2n[n-]nc21 ZINC000188867249 365451993 /nfs/dbraw/zinc/45/19/93/365451993.db2.gz JCXXNDXJZHAGQS-SNVBAGLBSA-N -1 3 276.340 1.437 10 0 CDAEHM COc1nnc(NC(=O)Cc2nc(C(C)C)c(C)s2)[n-]1 ZINC000279735847 367115283 /nfs/dbraw/zinc/11/52/83/367115283.db2.gz MYEQGXONXJYZAD-UHFFFAOYSA-N -1 3 295.368 1.883 10 0 CDAEHM COc1nc(NC(=O)Cc2nc(C(C)C)c(C)s2)n[n-]1 ZINC000279735847 367115285 /nfs/dbraw/zinc/11/52/85/367115285.db2.gz MYEQGXONXJYZAD-UHFFFAOYSA-N -1 3 295.368 1.883 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2nc(C(C)C)c(C)s2)n1 ZINC000279735847 367115288 /nfs/dbraw/zinc/11/52/88/367115288.db2.gz MYEQGXONXJYZAD-UHFFFAOYSA-N -1 3 295.368 1.883 10 0 CDAEHM O=C(NCCc1ccc[nH]1)c1cc(=O)c2ccccc2[n-]1 ZINC000357963119 367337213 /nfs/dbraw/zinc/33/72/13/367337213.db2.gz GRYLKUDWENBTMS-UHFFFAOYSA-N -1 3 281.315 1.829 10 0 CDAEHM COc1cccc(C(=O)N[C@@H](C)[C@H](CO)SC)c1[O-] ZINC000225853623 367355858 /nfs/dbraw/zinc/35/58/58/367355858.db2.gz SMFAKWBGFHQCDW-KWQFWETISA-N -1 3 285.365 1.243 10 0 CDAEHM Cc1nccnc1CCNC(=O)c1cccc([O-])c1 ZINC000358256824 367550396 /nfs/dbraw/zinc/55/03/96/367550396.db2.gz CENUFDSDNAGJGU-UHFFFAOYSA-N -1 3 257.293 1.463 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCOc2ccccc2)o1 ZINC000358463372 367701922 /nfs/dbraw/zinc/70/19/22/367701922.db2.gz LRXFNUUJYKUSCZ-UHFFFAOYSA-N -1 3 281.333 1.945 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](C)Cc2ccncc2)o1 ZINC000358606331 367811611 /nfs/dbraw/zinc/81/16/11/367811611.db2.gz CDILPFSRQAVWQM-SNVBAGLBSA-N -1 3 280.349 1.893 10 0 CDAEHM CN(C(=O)c1ccc(O)cc1[O-])[C@H]1CC[C@H](O)CC1 ZINC000275926538 193165780 /nfs/dbraw/zinc/16/57/80/193165780.db2.gz NGSDOYQLHJHALB-MGCOHNPYSA-N -1 3 265.309 1.473 10 0 CDAEHM OCc1nnc(Sc2ncnc3ccccc32)[n-]1 ZINC000530373115 368180772 /nfs/dbraw/zinc/18/07/72/368180772.db2.gz SILUQXVNXZWUHY-UHFFFAOYSA-N -1 3 259.294 1.391 10 0 CDAEHM OCc1nc(Sc2ncnc3ccccc32)n[n-]1 ZINC000530373115 368180781 /nfs/dbraw/zinc/18/07/81/368180781.db2.gz SILUQXVNXZWUHY-UHFFFAOYSA-N -1 3 259.294 1.391 10 0 CDAEHM O=C(NCCC1(O)CCOCC1)c1cccc([O-])c1 ZINC000286154407 368710503 /nfs/dbraw/zinc/71/05/03/368710503.db2.gz OIVRQICTDBZPOV-UHFFFAOYSA-N -1 3 265.309 1.054 10 0 CDAEHM CS(=O)(=O)[C@H]1CCC[C@@H](NCc2ncccc2[O-])C1 ZINC000330604514 203028518 /nfs/dbraw/zinc/02/85/18/203028518.db2.gz GWNWXMLSXPGGOM-MNOVXSKESA-N -1 3 284.381 1.233 10 0 CDAEHM Cc1cc(C(=O)N2CCO[C@@]3(CCCOC3)C2)ccc1[O-] ZINC000286375280 368805842 /nfs/dbraw/zinc/80/58/42/368805842.db2.gz NVFREBWSFICDLP-INIZCTEOSA-N -1 3 291.347 1.722 10 0 CDAEHM O=C(Nc1ncccc1[O-])c1cccc2nccnc21 ZINC000542685210 368807062 /nfs/dbraw/zinc/80/70/62/368807062.db2.gz YHXPKTOMWUZFOE-UHFFFAOYSA-N -1 3 266.260 1.983 10 0 CDAEHM CC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000286570192 368889773 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369756456 /nfs/dbraw/zinc/75/64/56/369756456.db2.gz DEUDAVZALHWCDL-UHFFFAOYSA-N -1 3 255.277 1.775 10 0 CDAEHM O=C(c1c[n-]c2ccccc2c1=O)N1C[C@@H](O)C2(CC2)C1 ZINC000548323754 369817442 /nfs/dbraw/zinc/81/74/42/369817442.db2.gz CYDOYCIREAUDIE-CYBMUJFWSA-N -1 3 284.315 1.125 10 0 CDAEHM COc1cc(=NC(=O)N[C@H]2CC=CCC2)[n-]n1C ZINC000548493567 369876792 /nfs/dbraw/zinc/87/67/92/369876792.db2.gz CZUFLFWQWXFXQW-VIFPVBQESA-N -1 3 250.302 1.081 10 0 CDAEHM CCC[C@H](N)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000252373133 370204305 /nfs/dbraw/zinc/20/43/05/370204305.db2.gz OOQUNROLLZOTCH-YFKTTZPYSA-N -1 3 268.357 1.358 10 0 CDAEHM CCc1cnc(S(=O)(=O)Cc2coc(C)n2)[n-]1 ZINC000565165099 370366769 /nfs/dbraw/zinc/36/67/69/370366769.db2.gz PDJZMBLILBRJFD-UHFFFAOYSA-N -1 3 255.299 1.242 10 0 CDAEHM CCc1c[n-]c(S(=O)(=O)Cc2coc(C)n2)n1 ZINC000565165099 370366774 /nfs/dbraw/zinc/36/67/74/370366774.db2.gz PDJZMBLILBRJFD-UHFFFAOYSA-N -1 3 255.299 1.242 10 0 CDAEHM Cc1cccc(C(=O)N2CC[C@@H](Nc3ncccn3)C2)c1[O-] ZINC000582361714 370536886 /nfs/dbraw/zinc/53/68/86/370536886.db2.gz KRBAHOLLAFHYCD-GFCCVEGCSA-N -1 3 298.346 1.817 10 0 CDAEHM CO[C@H]1CCCC[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000293339233 370598227 /nfs/dbraw/zinc/59/82/27/370598227.db2.gz BGIPWEVWMSAIPD-ONGXEEELSA-N -1 3 250.298 1.931 10 0 CDAEHM CC[C@@H](C)C[C@H]([N-]S(=O)(=O)CCC1CC1)C(=O)OC ZINC000572874176 371326582 /nfs/dbraw/zinc/32/65/82/371326582.db2.gz XAKXDMFUNUGJBF-PWSUYJOCSA-N -1 3 291.413 1.684 10 0 CDAEHM C[C@@H]1C[C@H](N=c2[n-]c(C3CCC3)no2)CN1C1CC1 ZINC000573435132 371541232 /nfs/dbraw/zinc/54/12/32/371541232.db2.gz BYYFMQGJISOKHS-KOLCDFICSA-N -1 3 262.357 1.796 10 0 CDAEHM CC[C@H]1C[C@@H](NC(=O)c2cc(F)cc3nn[n-]c32)CCO1 ZINC000575171608 371766938 /nfs/dbraw/zinc/76/69/38/371766938.db2.gz LPAVNRMPQPVGNY-UWVGGRQHSA-N -1 3 292.314 1.784 10 0 CDAEHM CC[C@H]1C[C@@H](NC(=O)c2cc(F)cc3[n-]nnc32)CCO1 ZINC000575171608 371766942 /nfs/dbraw/zinc/76/69/42/371766942.db2.gz LPAVNRMPQPVGNY-UWVGGRQHSA-N -1 3 292.314 1.784 10 0 CDAEHM CC[C@H]1C[C@@H](NC(=O)c2cc(F)cc3n[n-]nc32)CCO1 ZINC000575171608 371766948 /nfs/dbraw/zinc/76/69/48/371766948.db2.gz LPAVNRMPQPVGNY-UWVGGRQHSA-N -1 3 292.314 1.784 10 0 CDAEHM O=C(NCCn1ccnc1)c1cc2c(cc1[O-])CCCC2 ZINC000065617947 541861249 /nfs/dbraw/zinc/86/12/49/541861249.db2.gz JTMJECGJFPIMNH-UHFFFAOYSA-N -1 3 285.347 1.898 10 0 CDAEHM C[C@@H]1CN(C(=O)Cc2cncc([O-])c2)[C@@H](C)[C@H](C)O1 ZINC000577865474 372150068 /nfs/dbraw/zinc/15/00/68/372150068.db2.gz BPCWEPJSSWVHGB-VWYCJHECSA-N -1 3 264.325 1.354 10 0 CDAEHM C[C@H](NC(=O)c1c[n-]nn1)c1cccc(-n2ccnc2)c1 ZINC000173913279 372521920 /nfs/dbraw/zinc/52/19/20/372521920.db2.gz RXWBSQFMIPGLQX-JTQLQIEISA-N -1 3 282.307 1.481 10 0 CDAEHM C[C@H](NC(=O)c1cnn[n-]1)c1cccc(-n2ccnc2)c1 ZINC000173913279 372521925 /nfs/dbraw/zinc/52/19/25/372521925.db2.gz RXWBSQFMIPGLQX-JTQLQIEISA-N -1 3 282.307 1.481 10 0 CDAEHM C[C@H](NC(=O)c1cn[n-]n1)c1cccc(-n2ccnc2)c1 ZINC000173913279 372521931 /nfs/dbraw/zinc/52/19/31/372521931.db2.gz RXWBSQFMIPGLQX-JTQLQIEISA-N 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375654455 /nfs/dbraw/zinc/65/44/55/375654455.db2.gz BZYQYWRVNFJSQF-GWOFURMSSA-N -1 3 265.350 1.364 10 0 CDAEHM CCc1ocnc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427086652 247092374 /nfs/dbraw/zinc/09/23/74/247092374.db2.gz KXQVYJCJOMXQTA-UHFFFAOYSA-N -1 3 298.306 1.593 10 0 CDAEHM CCc1ocnc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427086652 247092385 /nfs/dbraw/zinc/09/23/85/247092385.db2.gz KXQVYJCJOMXQTA-UHFFFAOYSA-N -1 3 298.306 1.593 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N(CCOC)[C@@H]2CCOC2)c1 ZINC000428545018 247324084 /nfs/dbraw/zinc/32/40/84/247324084.db2.gz KZWVTOOQILSSKE-CYBMUJFWSA-N -1 3 293.363 1.832 10 0 CDAEHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCn2cnnc2C1 ZINC000273266502 296239162 /nfs/dbraw/zinc/23/91/62/296239162.db2.gz DCLRMGLTNZYXJZ-UHFFFAOYSA-N -1 3 298.346 1.519 10 0 CDAEHM C[C@H](C(=O)NCc1ncccc1[O-])C1CCOCC1 ZINC000331014224 376454507 /nfs/dbraw/zinc/45/45/07/376454507.db2.gz KVQZJOSDMNQSAL-JTQLQIEISA-N -1 3 264.325 1.466 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)C(C)(C)C)o1 ZINC000331101414 376557076 /nfs/dbraw/zinc/55/70/76/376557076.db2.gz ORVRRPMUGLVDBD-SECBINFHSA-N -1 3 261.343 1.273 10 0 CDAEHM Cc1nocc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1 ZINC000631795927 376606409 /nfs/dbraw/zinc/60/64/09/376606409.db2.gz PIPOPQBNDQTREF-NWDGAFQWSA-N -1 3 278.333 1.817 10 0 CDAEHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632039226 376939509 /nfs/dbraw/zinc/93/95/09/376939509.db2.gz XKWSNFXPPIAZPQ-HTQZYQBOSA-N -1 3 278.399 1.952 10 0 CDAEHM CCC[C@H](C)[C@@H](CO)NC(=O)Cc1cncc([O-])c1 ZINC000574890290 295071670 /nfs/dbraw/zinc/07/16/70/295071670.db2.gz VEEVJFZOQCBSLS-GXFFZTMASA-N -1 3 266.341 1.243 10 0 CDAEHM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632226103 377154457 /nfs/dbraw/zinc/15/44/57/377154457.db2.gz JIIQQWWQHBDYDE-SSDOTTSWSA-N -1 3 276.383 1.706 10 0 CDAEHM Cc1ccc(-c2nc(CCS(C)(=O)=O)no2)c([O-])c1 ZINC000632231863 377161330 /nfs/dbraw/zinc/16/13/30/377161330.db2.gz FQYZFRDSIROMMM-UHFFFAOYSA-N -1 3 282.321 1.338 10 0 CDAEHM 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286.331 1.663 10 0 CDAEHM O=C(c1cc([O-])ccc1Cl)N1C[C@@H](O)C2(CC2)C1 ZINC000335798464 151029138 /nfs/dbraw/zinc/02/91/38/151029138.db2.gz IVRZRWRDRAKKPW-LLVKDONJSA-N -1 3 267.712 1.643 10 0 CDAEHM C[C@@H]1[C@@H](C)CN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000335960915 151151375 /nfs/dbraw/zinc/15/13/75/151151375.db2.gz VNFCJVSNYGGIED-VHSXEESVSA-N -1 3 282.365 1.539 10 0 CDAEHM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000335986934 151176184 /nfs/dbraw/zinc/17/61/84/151176184.db2.gz SOYLSDHOSAIHGB-GHMZBOCLSA-N -1 3 295.383 1.211 10 0 CDAEHM O=C(N[C@H]1CC[S@](=O)C1)c1cc([O-])c2ccccc2c1 ZINC000336016683 151199400 /nfs/dbraw/zinc/19/94/00/151199400.db2.gz IJNKXHZXVYKCPX-YUNKPMOVSA-N -1 3 289.356 1.796 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]c2cccn(C)c2=O)o1 ZINC000336033731 151213119 /nfs/dbraw/zinc/21/31/19/151213119.db2.gz OZQIKZOQAZGPTF-UHFFFAOYSA-N -1 3 268.294 1.088 10 0 CDAEHM Cc1nnc([C@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)[nH]1 ZINC000343330162 152124427 /nfs/dbraw/zinc/12/44/27/152124427.db2.gz HXDRTZRBUPDIDR-QMMMGPOBSA-N -1 3 297.318 1.446 10 0 CDAEHM CSc1nnc(NC(=O)c2sc3nccn3c2C)[n-]1 ZINC000343371432 152142839 /nfs/dbraw/zinc/14/28/39/152142839.db2.gz NXEACNVQIWPNKZ-UHFFFAOYSA-N -1 3 294.365 1.797 10 0 CDAEHM CSc1n[n-]c(NC(=O)c2sc3nccn3c2C)n1 ZINC000343371432 152142843 /nfs/dbraw/zinc/14/28/43/152142843.db2.gz NXEACNVQIWPNKZ-UHFFFAOYSA-N -1 3 294.365 1.797 10 0 CDAEHM CCc1cc(NC(=O)NCc2ncccc2[O-])n(C)n1 ZINC000343976190 152376399 /nfs/dbraw/zinc/37/63/99/152376399.db2.gz FWUHUNUGRHVWQT-UHFFFAOYSA-N -1 3 275.312 1.405 10 0 CDAEHM C[C@H](NC(=O)NCc1ncccc1[O-])[C@@H]1CCCOC1 ZINC000349813431 154226402 /nfs/dbraw/zinc/22/64/02/154226402.db2.gz OJDLPEZQBDTKAZ-WDEREUQCSA-N -1 3 279.340 1.402 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CC[C@]2(C1)CCCOC2 ZINC000375578122 160393689 /nfs/dbraw/zinc/39/36/89/160393689.db2.gz NSMBDEZNOPDTKX-HNNXBMFYSA-N -1 3 277.320 1.741 10 0 CDAEHM CC[C@H]1CN(Cc2nc(C)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000373494688 160205707 /nfs/dbraw/zinc/20/57/07/160205707.db2.gz LBNACWCHHQUFBC-BBRMVZONSA-N -1 3 292.379 1.866 10 0 CDAEHM CC(=O)Oc1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000009694258 170384616 /nfs/dbraw/zinc/38/46/16/170384616.db2.gz YDJVPKUMJKTJGL-UHFFFAOYSA-N -1 3 272.260 1.965 10 0 CDAEHM CCn1ncc(CN2CCC[C@H](C(=O)[O-])C2)c1C ZINC000020315624 171146089 /nfs/dbraw/zinc/14/60/89/171146089.db2.gz MEYOBIFZCTWDFF-NSHDSACASA-N -1 3 251.330 1.508 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CC2(CC2(F)F)C1 ZINC000655407639 412183912 /nfs/dbraw/zinc/18/39/12/412183912.db2.gz YUPZLKSQKOLKKS-UHFFFAOYSA-N -1 3 254.236 1.197 10 0 CDAEHM CC(C)(C)O[C@H]1C[C@H](NC(=O)Cc2cncc([O-])c2)C1 ZINC000655409828 412186546 /nfs/dbraw/zinc/18/65/46/412186546.db2.gz IYMJSARNUDRQQC-AULYBMBSSA-N -1 3 278.352 1.792 10 0 CDAEHM O=c1[nH]c2cc(F)c([N-]S(=O)(=O)C3CC3)cc2o1 ZINC000656634293 413501609 /nfs/dbraw/zinc/50/16/09/413501609.db2.gz SAUIVEVKHTWTRR-UHFFFAOYSA-N -1 3 272.257 1.577 10 0 CDAEHM O=C([O-])CCNCC(=O)Nc1ccccc1Cl ZINC000035386735 172169151 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C[C@@H](NC(=O)[C@@H]1CCCCN1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656855934 413763440 /nfs/dbraw/zinc/76/34/40/413763440.db2.gz VHOXPUYSYAQOKW-KXNHARMFSA-N -1 3 282.384 1.380 10 0 CDAEHM C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663155722 414010734 /nfs/dbraw/zinc/01/07/34/414010734.db2.gz XLIPLWBIDCPKHL-WZRBSPASSA-N -1 3 282.384 1.476 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000657151702 413976123 /nfs/dbraw/zinc/97/61/23/413976123.db2.gz ZVVHUDJVTTULDW-WOPDTQHZSA-N -1 3 283.397 1.618 10 0 CDAEHM CN(C)[C@@H](C(=O)[O-])c1cc(Cl)c2c(c1)OCCO2 ZINC000037358193 173147471 /nfs/dbraw/zinc/14/74/71/173147471.db2.gz KMCZDKIGBXZZLZ-SNVBAGLBSA-N -1 3 271.700 1.799 10 0 CDAEHM NC1(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CCCCC1 ZINC000663281179 414120063 /nfs/dbraw/zinc/12/00/63/414120063.db2.gz ZKRKFQYQMSBWDV-LLVKDONJSA-N -1 3 268.357 1.265 10 0 CDAEHM Cn1nc(C(F)(F)F)cc1CNCc1ncccc1[O-] ZINC000657452455 414346920 /nfs/dbraw/zinc/34/69/20/414346920.db2.gz 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CCN1CCC[C@@H]1CNC(=O)N(CCC(=O)[O-])C(C)C ZINC000040552873 174329442 /nfs/dbraw/zinc/32/94/42/174329442.db2.gz VFLSSTMHKWUBSY-GFCCVEGCSA-N -1 3 285.388 1.365 10 0 CDAEHM CN1CCC[C@@H](n2nnc3cc(C(=O)[O-])ccc32)C1 ZINC000040715867 174382902 /nfs/dbraw/zinc/38/29/02/174382902.db2.gz HLSGTXFXHQHJJO-SNVBAGLBSA-N -1 3 260.297 1.396 10 0 CDAEHM Cc1cccc(C(=O)N(C)c2ccncc2N)c1[O-] ZINC000042140662 174640907 /nfs/dbraw/zinc/64/09/07/174640907.db2.gz NYPWWMSNYZUOGZ-UHFFFAOYSA-N -1 3 257.293 1.954 10 0 CDAEHM O=C(CN1CCO[C@@H]2CCC[C@@H]21)c1cc(F)ccc1[O-] ZINC000043426365 175040988 /nfs/dbraw/zinc/04/09/88/175040988.db2.gz GIJUTYYLSKMUPH-SWLSCSKDSA-N -1 3 279.311 1.967 10 0 CDAEHM CC(C)[C@H](N[C@H]1CCS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000043430853 175043246 /nfs/dbraw/zinc/04/32/46/175043246.db2.gz GGAHOQFNBJVPKB-AAEUAGOBSA-N -1 3 297.376 1.604 10 0 CDAEHM [O-]c1ccc(CNC[C@H]2COCCO2)cc1Cl ZINC000043488372 175056383 /nfs/dbraw/zinc/05/63/83/175056383.db2.gz SJARPBYUBICGRI-JTQLQIEISA-N -1 3 257.717 1.551 10 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COC[C@@H](NC(=O)c1c([O-])cccc1O)[C@@H]1CCCOC1 ZINC000899653763 622343617 /nfs/dbraw/zinc/34/36/17/622343617.db2.gz FZEFELAIMSDSDS-GHMZBOCLSA-N -1 3 295.335 1.269 10 0 CDAEHM CCc1cc(=O)[n-]c(CS[C@@H]2CCN(OC)C2=O)n1 ZINC000902341850 624673686 /nfs/dbraw/zinc/67/36/86/624673686.db2.gz GPOUIGWRUVEJAV-SECBINFHSA-N -1 3 283.353 1.140 10 0 CDAEHM CC1(C)CCC[C@H]1CCNCc1cn(CC(=O)[O-])nn1 ZINC000902433572 624805554 /nfs/dbraw/zinc/80/55/54/624805554.db2.gz TWARYPFTYZHWRA-NSHDSACASA-N -1 3 280.372 1.669 10 0 CDAEHM CC(C)(C)N1C[C@H](NCc2ccc(C(=O)[O-])s2)CC1=O ZINC000903681336 626053255 /nfs/dbraw/zinc/05/32/55/626053255.db2.gz WONAOQZZBANWGA-SECBINFHSA-N -1 3 296.392 1.935 10 0 CDAEHM CCO[C@H]1[C@H](C(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@@H]1C ZINC000905545614 626847033 /nfs/dbraw/zinc/84/70/33/626847033.db2.gz SHGIVFKBIJFNBG-XXILOJSOSA-N -1 3 287.323 1.476 10 0 CDAEHM CCO[C@H]1[C@H](C(=O)Nc2cccc(-c3nn[n-]n3)c2)[C@@H]1C ZINC000905545614 626847035 /nfs/dbraw/zinc/84/70/35/626847035.db2.gz SHGIVFKBIJFNBG-XXILOJSOSA-N -1 3 287.323 1.476 10 0 CDAEHM COC(=O)[C@H](C)[N-]C(=O)C(F)(F)c1cccc(OC)c1 ZINC000905862771 627007034 /nfs/dbraw/zinc/00/70/34/627007034.db2.gz IHMXMZSSSBEOOM-QMMMGPOBSA-N -1 3 287.262 1.465 10 0 CDAEHM CCO[C@@H]1[C@H](C)[C@H]1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000908335994 628142514 /nfs/dbraw/zinc/14/25/14/628142514.db2.gz ODTQKDGRPXYBMU-NZXMKCKXSA-N -1 3 275.308 1.878 10 0 CDAEHM C[C@@H](F)CCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908428891 628193652 /nfs/dbraw/zinc/19/36/52/628193652.db2.gz USIWGGVANWMEQT-SSDOTTSWSA-N -1 3 253.277 1.538 10 0 CDAEHM CC(C)N(C)CC(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000908583300 628270579 /nfs/dbraw/zinc/27/05/79/628270579.db2.gz QRDQWVWRAGPFGH-UHFFFAOYSA-N -1 3 292.379 1.830 10 0 CDAEHM C[C@H]1CC2(CCC2)CN1C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909871895 628718807 /nfs/dbraw/zinc/71/88/07/628718807.db2.gz RRNPDFRBQCBSOY-STQMWFEESA-N -1 3 294.395 1.574 10 0 CDAEHM O=C(Nc1cc([O-])c(F)cc1F)C1CN([C@@H]2CCOC2)C1 ZINC000909988767 628798156 /nfs/dbraw/zinc/79/81/56/628798156.db2.gz ZKEWRJVXQRJGOA-SECBINFHSA-N -1 3 298.289 1.330 10 0 CDAEHM C[C@H](C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1)N1CCCCCC1 ZINC000910341023 629016632 /nfs/dbraw/zinc/01/66/32/629016632.db2.gz DXUKETVSKPATRQ-OQMKEHIESA-N -1 3 294.395 1.620 10 0 CDAEHM CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(C(=O)[O-])co1 ZINC000911696866 629421906 /nfs/dbraw/zinc/42/19/06/629421906.db2.gz GQNOXSPOVYHKLH-LBPRGKRZSA-N -1 3 294.351 1.828 10 0 CDAEHM CC1=C(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)CCC1 ZINC000911854204 629591873 /nfs/dbraw/zinc/59/18/73/629591873.db2.gz JMGYDTSIUJYKSC-JTQLQIEISA-N -1 3 261.325 1.932 10 0 CDAEHM C=C/C(C)=C/CC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000911855960 629593730 /nfs/dbraw/zinc/59/37/30/629593730.db2.gz YHJILGWYVHRDPM-XBXARRHUSA-N -1 3 265.338 1.610 10 0 CDAEHM CCO[C@H]1C[C@H](NC(=O)c2c([O-])cccc2OC)C1 ZINC000912399072 629985042 /nfs/dbraw/zinc/98/50/42/629985042.db2.gz FLEJUBMKNGIBMW-MGCOHNPYSA-N -1 3 265.309 1.698 10 0 CDAEHM COC[C@]1(C)CN(C(=O)c2c([O-])cccc2OC)CCO1 ZINC000913351413 630452509 /nfs/dbraw/zinc/45/25/09/630452509.db2.gz GHIFSFGGKGQQLB-HNNXBMFYSA-N -1 3 295.335 1.278 10 0 CDAEHM CCCOC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000915425514 631723334 /nfs/dbraw/zinc/72/33/34/631723334.db2.gz BDRPVBQUYUZDHI-GFCCVEGCSA-N -1 3 277.320 1.950 10 0 CDAEHM C[C@H]1OCC[C@H]1S(=O)(=O)[N-]Cc1nc2ccccc2o1 ZINC000915771963 631812889 /nfs/dbraw/zinc/81/28/89/631812889.db2.gz MMIHKDPVRDZVCF-BXKDBHETSA-N -1 3 296.348 1.425 10 0 CDAEHM Cc1cc(C)[nH]c(=N[N-]C(=O)c2nc(C)ncc2Cl)n1 ZINC000154800092 632435840 /nfs/dbraw/zinc/43/58/40/632435840.db2.gz WHDYJBZAGMFEKP-UHFFFAOYSA-N -1 3 292.730 1.602 10 0 CDAEHM CC(C)CS(=O)(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000918831687 632451215 /nfs/dbraw/zinc/45/12/15/632451215.db2.gz VTPAUSQJJFOGPD-UHFFFAOYSA-N -1 3 299.396 1.525 10 0 CDAEHM COCCS(=O)(=O)[N-][C@H]1c2ccccc2OC[C@H]1F ZINC000921319881 632920598 /nfs/dbraw/zinc/92/05/98/632920598.db2.gz XZJHOBXPXQKUCA-PWSUYJOCSA-N -1 3 289.328 1.024 10 0 CDAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cscn2)CCS1 ZINC000921714637 633234525 /nfs/dbraw/zinc/23/45/25/633234525.db2.gz QGNSCGACKLUMSG-HTQZYQBOSA-N -1 3 278.424 1.706 10 0 CDAEHM CCC(F)(F)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000822544834 1161928531 /nfs/dbraw/zinc/92/85/31/1161928531.db2.gz HVCWXXUUANBOQK-ZETCQYMHSA-N -1 3 259.256 1.477 10 0 CDAEHM COc1cccc([O-])c1C(=O)N1C[C@H](C)C(O)[C@@H](C)C1 ZINC000829281438 1161951016 /nfs/dbraw/zinc/95/10/16/1161951016.db2.gz GKXYIMFZEXEWAZ-UWVGGRQHSA-N -1 3 279.336 1.490 10 0 CDAEHM O=C([N-]c1nc2cnccn2n1)c1cc(F)c(F)cc1F ZINC001132527647 1163348785 /nfs/dbraw/zinc/34/87/85/1163348785.db2.gz JYYSEULAFLNQFP-UHFFFAOYSA-N -1 3 293.208 1.794 10 0 CDAEHM Cc1cc(C)n2nc(C(=O)[N-]c3nocc3C3CC3)nc2n1 ZINC001610988964 1165478454 /nfs/dbraw/zinc/47/84/54/1165478454.db2.gz DNMILJXECWAAMP-UHFFFAOYSA-N -1 3 298.306 1.859 10 0 CDAEHM O=C(Nc1c([O-])cccc1Cl)c1nc2ncccn2n1 ZINC001625093691 1165887738 /nfs/dbraw/zinc/88/77/38/1165887738.db2.gz YWALGPJBQHXICM-UHFFFAOYSA-N -1 3 289.682 1.736 10 0 CDAEHM O=C(Cn1ccnc1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001637293941 1166742790 /nfs/dbraw/zinc/74/27/90/1166742790.db2.gz CRBMUFFOQIWARO-UHFFFAOYSA-N -1 3 257.253 1.104 10 0 CDAEHM O=C(N[C@@H]1C[C@H]1[C@H]1CCCO1)c1ccc(O)cc1[O-] ZINC001644018092 1167288527 /nfs/dbraw/zinc/28/85/27/1167288527.db2.gz HKISRPIPQDIFRE-NQBHXWOUSA-N -1 3 263.293 1.395 10 0 CDAEHM C=CC(=O)N(CC)CC(=O)Nc1cccc([O-])c1F ZINC001566435812 1168270296 /nfs/dbraw/zinc/27/02/96/1168270296.db2.gz ZNNNKGBFPHTWJA-UHFFFAOYSA-N -1 3 266.272 1.504 10 0 CDAEHM CCn1cccc1C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001646985205 1168324364 /nfs/dbraw/zinc/32/43/64/1168324364.db2.gz DBSPSTXMCAMXGA-UHFFFAOYSA-N -1 3 288.355 1.116 10 0 CDAEHM CCn1cccc1C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001646985205 1168324370 /nfs/dbraw/zinc/32/43/70/1168324370.db2.gz DBSPSTXMCAMXGA-UHFFFAOYSA-N -1 3 288.355 1.116 10 0 CDAEHM Cc1cccc(CO[N-]C(=O)Cc2cccnc2)n1 ZINC001647930902 1169080674 /nfs/dbraw/zinc/08/06/74/1169080674.db2.gz ISJBLDIVCRYLRB-UHFFFAOYSA-N -1 3 257.293 1.576 10 0 CDAEHM CCOc1cccc(CN[C@@H](C(=O)[O-])[C@@H]2CCCO2)n1 ZINC001649933078 1169512575 /nfs/dbraw/zinc/51/25/75/1169512575.db2.gz VRQZKIRSFSQPDK-WCQYABFASA-N -1 3 280.324 1.202 10 0 CDAEHM O=C(N[C@H]1CCn2ccnc21)c1cccc2n[n-]nc21 ZINC001569445872 1169883581 /nfs/dbraw/zinc/88/35/81/1169883581.db2.gz VVJDCZUZACWPSH-JTQLQIEISA-N -1 3 268.280 1.029 10 0 CDAEHM CN(CCCNC(=O)C1CC1)C(=O)c1ccccc1[O-] ZINC001576658674 1171481326 /nfs/dbraw/zinc/48/13/26/1171481326.db2.gz YARFQLYVJANFPQ-UHFFFAOYSA-N -1 3 276.336 1.381 10 0 CDAEHM O=C([N-]c1c[nH]ccc1=O)c1c(F)ccnc1F ZINC001584886757 1172860582 /nfs/dbraw/zinc/86/05/82/1172860582.db2.gz CBHCVDZGAFITKW-UHFFFAOYSA-N -1 3 251.192 1.300 10 0 CDAEHM COc1nnc(NC(=O)c2ccnc(-c3ccco3)c2)[n-]1 ZINC001596256905 1174234449 /nfs/dbraw/zinc/23/44/49/1174234449.db2.gz RRPMEGCGDMNADN-UHFFFAOYSA-N -1 3 285.263 1.721 10 0 CDAEHM COc1nc(NC(=O)c2ccnc(-c3ccco3)c2)n[n-]1 ZINC001596256905 1174234452 /nfs/dbraw/zinc/23/44/52/1174234452.db2.gz RRPMEGCGDMNADN-UHFFFAOYSA-N -1 3 285.263 1.721 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccnc(-c3ccco3)c2)n1 ZINC001596256905 1174234457 /nfs/dbraw/zinc/23/44/57/1174234457.db2.gz RRPMEGCGDMNADN-UHFFFAOYSA-N -1 3 285.263 1.721 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)c2c(F)ccnc2F)[n-]n1 ZINC001598369740 1174314454 /nfs/dbraw/zinc/31/44/54/1174314454.db2.gz RQWOIMAYQLFYOY-UHFFFAOYSA-N -1 3 296.233 1.512 10 0 CDAEHM CC(C)[C@@H](C)C(=O)NCCCNC(=O)c1ccccc1[O-] ZINC001758126731 1186285622 /nfs/dbraw/zinc/28/56/22/1186285622.db2.gz REMJJRWTEXZTFM-GFCCVEGCSA-N -1 3 292.379 1.920 10 0 CDAEHM COc1cccc([O-])c1C(=O)N(C)Cc1cc[nH]n1 ZINC000405338276 1186572247 /nfs/dbraw/zinc/57/22/47/1186572247.db2.gz GNWOBRLHPOVXPK-UHFFFAOYSA-N -1 3 261.281 1.396 10 0 CDAEHM CCc1nnc(CNCc2ccc([O-])c(F)c2)[nH]1 ZINC000392439945 1187280874 /nfs/dbraw/zinc/28/08/74/1187280874.db2.gz AQQQUEWKDVIBAL-UHFFFAOYSA-N -1 3 250.277 1.502 10 0 CDAEHM O=C([N-]C[C@H]1CCCN(C(=O)C2=CCC2)C1)C(F)(F)F ZINC000813283139 1163852401 /nfs/dbraw/zinc/85/24/01/1163852401.db2.gz KHCOPCMBIJWGEZ-SECBINFHSA-N -1 3 290.285 1.624 10 0 CDAEHM CCC[C@H](C)S(=O)(=O)[N-][C@@H](CSC)C(=O)OCC ZINC000921378199 736506143 /nfs/dbraw/zinc/50/61/43/736506143.db2.gz QPAXTYSKVKRMOT-UWVGGRQHSA-N -1 3 297.442 1.389 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCCC2CCC2)nn1 ZINC000867516970 736542297 /nfs/dbraw/zinc/54/22/97/736542297.db2.gz LELLKSUAXRPOBG-UHFFFAOYSA-N -1 3 269.370 1.644 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCc2ccco2)nn1 ZINC000866416677 736562656 /nfs/dbraw/zinc/56/26/56/736562656.db2.gz ZDSIRSYBTQDJDN-NSHDSACASA-N -1 3 295.364 1.678 10 0 CDAEHM C[C@@]1(c2nc(-c3ccc([O-])c(F)c3)no2)CNCCO1 ZINC000711556244 736593637 /nfs/dbraw/zinc/59/36/37/736593637.db2.gz NUCFRVSMRKVGDZ-ZDUSSCGKSA-N -1 3 279.271 1.416 10 0 CDAEHM CC(C)C1(S(=O)(=O)[N-]Cc2nc(C3CC3)no2)CC1 ZINC000866549265 1164793405 /nfs/dbraw/zinc/79/34/05/1164793405.db2.gz IZSNYMAJBJTQPX-UHFFFAOYSA-N -1 3 285.369 1.555 10 0 CDAEHM C[C@@H]1[C@H](C(=O)[N-]OC(C)(C)CO)[C@H]1c1ccccc1 ZINC000836806469 736787006 /nfs/dbraw/zinc/78/70/06/736787006.db2.gz WFFKXVJMVXHEOV-UHTWSYAYSA-N -1 3 263.337 1.855 10 0 CDAEHM CC[C@H](OC)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783264645 736705117 /nfs/dbraw/zinc/70/51/17/736705117.db2.gz KYHATMODIIFXLT-NSHDSACASA-N -1 3 292.291 1.910 10 0 CDAEHM CCOc1nnc(NC(=O)[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)[n-]1 ZINC000228777742 736828570 /nfs/dbraw/zinc/82/85/70/736828570.db2.gz RFLDCSZNJNRWQM-JBDRJPRFSA-N -1 3 268.317 1.201 10 0 CDAEHM CCOc1nc(NC(=O)[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)n[n-]1 ZINC000228777742 736828574 /nfs/dbraw/zinc/82/85/74/736828574.db2.gz RFLDCSZNJNRWQM-JBDRJPRFSA-N -1 3 268.317 1.201 10 0 CDAEHM CCOc1n[n-]c(NC(=O)[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)n1 ZINC000228777742 736828575 /nfs/dbraw/zinc/82/85/75/736828575.db2.gz RFLDCSZNJNRWQM-JBDRJPRFSA-N -1 3 268.317 1.201 10 0 CDAEHM CCn1cnc2c1CCN([C@H](CC(C)C)C(=O)[O-])C2 ZINC000923274947 736937956 /nfs/dbraw/zinc/93/79/56/736937956.db2.gz OPCBMJXSNAKMNR-CYBMUJFWSA-N -1 3 265.357 1.760 10 0 CDAEHM CCOc1nnc(NC(=O)c2ccc3c(c2)OCCO3)[n-]1 ZINC000228767652 736958440 /nfs/dbraw/zinc/95/84/40/736958440.db2.gz DUUPRKZGXGYHRJ-UHFFFAOYSA-N -1 3 290.279 1.227 10 0 CDAEHM CCOc1nc(NC(=O)c2ccc3c(c2)OCCO3)n[n-]1 ZINC000228767652 736958446 /nfs/dbraw/zinc/95/84/46/736958446.db2.gz DUUPRKZGXGYHRJ-UHFFFAOYSA-N -1 3 290.279 1.227 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2ccc3c(c2)OCCO3)n1 ZINC000228767652 736958453 /nfs/dbraw/zinc/95/84/53/736958453.db2.gz DUUPRKZGXGYHRJ-UHFFFAOYSA-N -1 3 290.279 1.227 10 0 CDAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000825277863 737062980 /nfs/dbraw/zinc/06/29/80/737062980.db2.gz WCCFFMRXLMFWKM-ZDEQEGDKSA-N -1 3 277.368 1.441 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2cccnc2F)o1 ZINC000795267581 737247666 /nfs/dbraw/zinc/24/76/66/737247666.db2.gz GRGWLXJFHMCUML-UHFFFAOYSA-N -1 3 270.285 1.601 10 0 CDAEHM CCOc1nnc(NC(=O)CCn2nc(C)cc2C)[n-]1 ZINC000228789653 737260958 /nfs/dbraw/zinc/26/09/58/737260958.db2.gz GBMCCNGNIVBBFN-UHFFFAOYSA-N -1 3 278.316 1.046 10 0 CDAEHM CCOc1nc(NC(=O)CCn2nc(C)cc2C)n[n-]1 ZINC000228789653 737260960 /nfs/dbraw/zinc/26/09/60/737260960.db2.gz GBMCCNGNIVBBFN-UHFFFAOYSA-N -1 3 278.316 1.046 10 0 CDAEHM CCOc1n[n-]c(NC(=O)CCn2nc(C)cc2C)n1 ZINC000228789653 737260964 /nfs/dbraw/zinc/26/09/64/737260964.db2.gz GBMCCNGNIVBBFN-UHFFFAOYSA-N -1 3 278.316 1.046 10 0 CDAEHM CCN(OC)C(=O)CNCc1c(F)ccc([O-])c1F ZINC000843429993 737320225 /nfs/dbraw/zinc/32/02/25/737320225.db2.gz FNLYJVOJJYFVEB-UHFFFAOYSA-N -1 3 274.267 1.170 10 0 CDAEHM C[C@@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)[C@H]1CCCO1 ZINC000923061004 737409459 /nfs/dbraw/zinc/40/94/59/737409459.db2.gz UHQQOHCOSHSTHG-RKDXNWHRSA-N -1 3 297.273 1.413 10 0 CDAEHM O=Cc1cc(C(=O)NCc2ncccc2[O-])cs1 ZINC000792610934 737616018 /nfs/dbraw/zinc/61/60/18/737616018.db2.gz DDGOTTXUEGWDGJ-UHFFFAOYSA-N -1 3 262.290 1.591 10 0 CDAEHM CC(C)(O)[C@@H]1CCN(C(=O)c2c([O-])cccc2O)C1 ZINC000721854156 738513103 /nfs/dbraw/zinc/51/31/03/738513103.db2.gz XNDZAOYIRHTWNU-SECBINFHSA-N -1 3 265.309 1.331 10 0 CDAEHM O=C(OCCC1(O)CC1)c1cc(-c2ccco2)[n-]n1 ZINC000785663028 737803584 /nfs/dbraw/zinc/80/35/84/737803584.db2.gz RPEAYVLYIPSNLG-UHFFFAOYSA-N -1 3 262.265 1.742 10 0 CDAEHM O=C(OCCC1(O)CC1)c1cc(-c2ccco2)n[n-]1 ZINC000785663028 737803585 /nfs/dbraw/zinc/80/35/85/737803585.db2.gz RPEAYVLYIPSNLG-UHFFFAOYSA-N -1 3 262.265 1.742 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC(C)(C)O2)nn1 ZINC000867132977 737865206 /nfs/dbraw/zinc/86/52/06/737865206.db2.gz REXOBWLDRKDGHH-SNVBAGLBSA-N -1 3 285.369 1.021 10 0 CDAEHM Cc1nc(C)c(CC(=O)NC[C@@H]2C(C)(C)C2(F)F)c(=O)[n-]1 ZINC000856070775 737879604 /nfs/dbraw/zinc/87/96/04/737879604.db2.gz GTWORGPTRMIZOU-SNVBAGLBSA-N -1 3 299.321 1.749 10 0 CDAEHM CC[C@@H]1CN(C(=O)c2cccc(F)c2[O-])C[C@H](C)N1 ZINC000826679288 738012749 /nfs/dbraw/zinc/01/27/49/738012749.db2.gz ZTDXJHILFBDOFX-VHSXEESVSA-N -1 3 266.316 1.744 10 0 CDAEHM C[C@@H]1C[C@H](C(=O)Nc2ccccc2-c2nnn[n-]2)[C@H](C)O1 ZINC000913357699 738310830 /nfs/dbraw/zinc/31/08/30/738310830.db2.gz OVEGOTMTZVJQJC-YWVKMMECSA-N -1 3 287.323 1.619 10 0 CDAEHM C[C@@H]1C[C@H](C(=O)Nc2ccccc2-c2nn[n-]n2)[C@H](C)O1 ZINC000913357699 738310835 /nfs/dbraw/zinc/31/08/35/738310835.db2.gz OVEGOTMTZVJQJC-YWVKMMECSA-N -1 3 287.323 1.619 10 0 CDAEHM CN1CCC[C@H](C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C1=O ZINC000854581190 738371422 /nfs/dbraw/zinc/37/14/22/738371422.db2.gz BRCGGEZBGQZJTC-SNVBAGLBSA-N -1 3 288.307 1.075 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCC[C@](CO)(C(C)C)C2)n1 ZINC000815232581 738591261 /nfs/dbraw/zinc/59/12/61/738591261.db2.gz JOHWZNVQSLTHNS-HNNXBMFYSA-N -1 3 279.384 1.721 10 0 CDAEHM O=C(OC[C@@H]1CN(C2CC2)C(=O)O1)c1cc2occc2[n-]1 ZINC000845157326 738680051 /nfs/dbraw/zinc/68/00/51/738680051.db2.gz PHEWBSVSJHKELI-VIFPVBQESA-N -1 3 290.275 1.901 10 0 CDAEHM c1ccc(-c2n[nH]c(C3CC3)n2)c(-c2nn[n-]n2)c1 ZINC000065384982 738740115 /nfs/dbraw/zinc/74/01/15/738740115.db2.gz 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/nfs/dbraw/zinc/75/52/39/736755239.db2.gz OMQRHZOXBVYFOF-VIFPVBQESA-N -1 3 292.291 1.910 10 0 CDAEHM CC(C)c1ccc(C(=O)N2CC=C[C@@H]2CO)c([O-])c1 ZINC000922276148 736867943 /nfs/dbraw/zinc/86/79/43/736867943.db2.gz ZLOYYOPKFNQGOZ-GFCCVEGCSA-N -1 3 261.321 1.889 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H](C)CC(C)C ZINC000867001705 736993683 /nfs/dbraw/zinc/99/36/83/736993683.db2.gz VCEYCPAGPBYESY-VFZGTOFNSA-N -1 3 270.420 1.373 10 0 CDAEHM O=C(NCC1CSC1)c1nnc2ccccc2c1[O-] ZINC000854876669 737015077 /nfs/dbraw/zinc/01/50/77/737015077.db2.gz GQRLWRZDXPJZLI-UHFFFAOYSA-N -1 3 275.333 1.428 10 0 CDAEHM COC(=O)C[C@@H]1CN([C@H](C)c2nc(C)cc(=O)[n-]2)C[C@H]1C ZINC000932104045 737292577 /nfs/dbraw/zinc/29/25/77/737292577.db2.gz XOSPDIUGNDCVNB-YUSALJHKSA-N -1 3 293.367 1.683 10 0 CDAEHM CCC(F)(F)C[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000859323225 737335114 /nfs/dbraw/zinc/33/51/14/737335114.db2.gz WZSPKNSZARKFOP-UHFFFAOYSA-N -1 3 293.339 1.617 10 0 CDAEHM CCCC[C@@](C)(F)C(=O)[N-]c1nc2nc(C)cc(=O)n2[nH]1 ZINC000857622815 737352962 /nfs/dbraw/zinc/35/29/62/737352962.db2.gz ZDQOXNJVMNVLNL-CYBMUJFWSA-N -1 3 295.318 1.583 10 0 CDAEHM CCO[C@@H](C(=O)Nc1cccc([O-])c1F)[C@H]1CCOC1 ZINC000867059146 737493362 /nfs/dbraw/zinc/49/33/62/737493362.db2.gz QTIGJODXVODJHN-TVQRCGJNSA-N -1 3 283.299 1.911 10 0 CDAEHM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000061835283 737594271 /nfs/dbraw/zinc/59/42/71/737594271.db2.gz BGUSVRSCYHBLTA-JSGCOSHPSA-N -1 3 292.379 1.906 10 0 CDAEHM CO[C@H]1COCC[C@H]1CC(=O)[N-]OCCC1CC1 ZINC000832845185 738089705 /nfs/dbraw/zinc/08/97/05/738089705.db2.gz HFPUAPDWZHMIJE-RYUDHWBXSA-N -1 3 257.330 1.276 10 0 CDAEHM Cc1cccc(CNC(=O)c2cc3c(cc2[O-])OCO3)n1 ZINC000130612484 739217741 /nfs/dbraw/zinc/21/77/41/739217741.db2.gz MEVVGGFAOFNVBT-UHFFFAOYSA-N -1 3 286.287 1.754 10 0 CDAEHM COc1ccc(C(=O)[O-])c2c1CN(C[C@@H](O)C1CC1)CC2 ZINC000872166670 1165388214 /nfs/dbraw/zinc/38/82/14/1165388214.db2.gz MVMWDIIKOUKIHR-CQSZACIVSA-N -1 3 291.347 1.522 10 0 CDAEHM O=C(Nc1cccc([O-])c1F)c1ccnc(CO)c1 ZINC001630731180 1166226298 /nfs/dbraw/zinc/22/62/98/1166226298.db2.gz DJXVMZBMJOPRDE-UHFFFAOYSA-N -1 3 262.240 1.671 10 0 CDAEHM O=C(NC1CC(c2ccccc2)C1)c1cnncc1[O-] ZINC001633960436 1166462718 /nfs/dbraw/zinc/46/27/18/1166462718.db2.gz MASBPQXOGGYUIC-UHFFFAOYSA-N -1 3 269.304 1.858 10 0 CDAEHM O=C(NCCOCc1ccccc1)c1cc(=O)[n-]cn1 ZINC001634928232 1166547911 /nfs/dbraw/zinc/54/79/11/1166547911.db2.gz AFNVDXKZNRUDPZ-UHFFFAOYSA-N -1 3 273.292 1.129 10 0 CDAEHM CCc1ccc(C(=O)N2[C@H](C)CC[C@@H]2CO)c([O-])c1 ZINC001643592944 1167258356 /nfs/dbraw/zinc/25/83/56/1167258356.db2.gz RXDLVBOISDFCGC-ZYHUDNBSSA-N -1 3 263.337 1.940 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)n1 ZINC001646219972 1167703270 /nfs/dbraw/zinc/70/32/70/1167703270.db2.gz SVFSCNSFFVPOQO-KXUCPTDWSA-N -1 3 297.305 1.788 10 0 CDAEHM O=C(c1ccccc1[O-])N1CC[C@H](c2ncccn2)C1 ZINC001646568674 1167931041 /nfs/dbraw/zinc/93/10/41/1167931041.db2.gz ALKDAYDUKZWRSK-NSHDSACASA-N -1 3 269.304 1.812 10 0 CDAEHM COc1nnc(NC(=O)c2c3cn[nH]c3ccc2C)[n-]1 ZINC001566427799 1168270999 /nfs/dbraw/zinc/27/09/99/1168270999.db2.gz DYDNVLUWZUMUGO-UHFFFAOYSA-N -1 3 272.268 1.250 10 0 CDAEHM COc1n[n-]c(NC(=O)c2c3cn[nH]c3ccc2C)n1 ZINC001566427799 1168271008 /nfs/dbraw/zinc/27/10/08/1168271008.db2.gz DYDNVLUWZUMUGO-UHFFFAOYSA-N -1 3 272.268 1.250 10 0 CDAEHM CCOc1nnc(NC(=O)C(=Cc2ccccc2)OC)[n-]1 ZINC001174745990 913331186 /nfs/dbraw/zinc/33/11/86/913331186.db2.gz XQXFNGCNZLXJJM-PKNBQFBNSA-N -1 3 288.307 1.829 10 0 CDAEHM CCOc1nc(NC(=O)C(=Cc2ccccc2)OC)n[n-]1 ZINC001174745990 913331204 /nfs/dbraw/zinc/33/12/04/913331204.db2.gz XQXFNGCNZLXJJM-PKNBQFBNSA-N -1 3 288.307 1.829 10 0 CDAEHM CCOc1n[n-]c(NC(=O)C(=Cc2ccccc2)OC)n1 ZINC001174745990 913331222 /nfs/dbraw/zinc/33/12/22/913331222.db2.gz XQXFNGCNZLXJJM-PKNBQFBNSA-N -1 3 288.307 1.829 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@@H](C)C(F)(F)F ZINC001417635679 894118763 /nfs/dbraw/zinc/11/87/63/894118763.db2.gz CWBVREKKQUMTBZ-HTRCEHHLSA-N 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XYPUXJVTMDESKS-SECBINFHSA-N -1 3 260.301 1.055 10 0 CDAEHM CO[C@@H](CSCc1nc(C)cc(=O)[n-]1)[C@@H]1CCOC1 ZINC000853769739 928091774 /nfs/dbraw/zinc/09/17/74/928091774.db2.gz HGIJDFDBDBOEPX-MNOVXSKESA-N -1 3 284.381 1.775 10 0 CDAEHM CCO[C@H](C)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782885072 937261303 /nfs/dbraw/zinc/26/13/03/937261303.db2.gz OMQRHZOXBVYFOF-SECBINFHSA-N -1 3 292.291 1.910 10 0 CDAEHM CC(C)[C@@H](CO)O[N-]C(=O)Cc1cccc2cnccc21 ZINC000861907078 929350394 /nfs/dbraw/zinc/35/03/94/929350394.db2.gz GRCVPKWNMWBXBR-OAHLLOKOSA-N -1 3 288.347 1.842 10 0 CDAEHM CCC[C@@H](CC)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001136653812 931232147 /nfs/dbraw/zinc/23/21/47/931232147.db2.gz IRDMRVWKSVDRKB-MNOVXSKESA-N -1 3 253.346 1.441 10 0 CDAEHM CCCO[N-]C(=O)[C@H]1CCc2nnc(C3CC3)n2C1 ZINC000844087615 931537520 /nfs/dbraw/zinc/53/75/20/931537520.db2.gz CXFJPWVALNIYNU-JTQLQIEISA-N -1 3 264.329 1.176 10 0 CDAEHM CSc1ncc(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)c(=O)[n-]1 ZINC001411967258 932184900 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CO[C@@H](C)C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000287547194 196881696 /nfs/dbraw/zinc/88/16/96/196881696.db2.gz WSUCZPCLCLNFHS-ZETCQYMHSA-N -1 3 298.286 1.414 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccccc2)o1 ZINC000358463918 390652987 /nfs/dbraw/zinc/65/29/87/390652987.db2.gz MWYWDUWQTGNGHB-LBPRGKRZSA-N -1 3 281.333 1.600 10 0 CDAEHM Cc1cnc(Nc2cccc(N3CCN(C)CC3)c2)[n-]c1=O ZINC000071261323 390615714 /nfs/dbraw/zinc/61/57/14/390615714.db2.gz RHBJSWCKGXGDKN-UHFFFAOYSA-N -1 3 299.378 1.574 10 0 CDAEHM O=C(CC1CCOCC1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527209502 391002913 /nfs/dbraw/zinc/00/29/13/391002913.db2.gz VEQKWJGWRXNFSQ-GFCCVEGCSA-N -1 3 279.340 1.438 10 0 CDAEHM CC[C@H](CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)OC ZINC000419284675 391049945 /nfs/dbraw/zinc/04/99/45/391049945.db2.gz TUOTZGJMHXYMHX-VHSXEESVSA-N -1 3 254.334 1.115 10 0 CDAEHM CN(Cc1ccc[nH]1)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000337393284 391137239 /nfs/dbraw/zinc/13/72/39/391137239.db2.gz HYIRJJJBMXSFMH-UHFFFAOYSA-N -1 3 273.271 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O=C(Cc1ccccc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000345227162 392147123 /nfs/dbraw/zinc/14/71/23/392147123.db2.gz OXTLSIGIUSWCSZ-UHFFFAOYSA-N -1 3 269.304 1.310 10 0 CDAEHM C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000646152391 392104056 /nfs/dbraw/zinc/10/40/56/392104056.db2.gz CDKBSFWECPFOAO-XZUYRWCXSA-N -1 3 295.383 1.022 10 0 CDAEHM CC(C)Oc1cc([N-]S(=O)(=O)C2CC2)ccc1C(N)=O ZINC000432495590 392230439 /nfs/dbraw/zinc/23/04/39/392230439.db2.gz RYKJDEPAORUKRT-UHFFFAOYSA-N -1 3 298.364 1.477 10 0 CDAEHM COC(=O)c1c(C)[n-]c(=O)nc1SCCC1(O)CC1 ZINC000442859910 392331951 /nfs/dbraw/zinc/33/19/51/392331951.db2.gz XYKLPHRXARYBIW-UHFFFAOYSA-N -1 3 284.337 1.284 10 0 CDAEHM CCOC(=O)C(C)(C)NC(=O)c1ccc(OC)cc1[O-] ZINC000263829469 131340624 /nfs/dbraw/zinc/34/06/24/131340624.db2.gz AFAPPBXXZPHFBC-UHFFFAOYSA-N -1 3 281.308 1.472 10 0 CDAEHM CCOC(=O)C(C)(C)NC(=O)c1ccc(O)cc1[O-] ZINC000263850324 131345926 /nfs/dbraw/zinc/34/59/26/131345926.db2.gz NOKFKZMGMOHTOZ-UHFFFAOYSA-N -1 3 267.281 1.169 10 0 CDAEHM CCc1ccc(C(=O)N[C@@H](CO)c2ccnn2C)c([O-])c1 ZINC000458163210 392394850 /nfs/dbraw/zinc/39/48/50/392394850.db2.gz POTHGBXOCFQYKV-LBPRGKRZSA-N -1 3 289.335 1.152 10 0 CDAEHM CC(C)[C@@H](CO)O[N-]C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000529453296 392427433 /nfs/dbraw/zinc/42/74/33/392427433.db2.gz BJUNEQBEROFJEM-QJPTWQEYSA-N -1 3 269.366 1.916 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@H]3C[C@H]3C2)s1 ZINC000645873817 392440539 /nfs/dbraw/zinc/44/05/39/392440539.db2.gz KFSSLHRRWYFVAT-LPEHRKFASA-N -1 3 272.395 1.918 10 0 CDAEHM COc1nnc(NC(=O)[C@H](C)Oc2ccccc2F)[n-]1 ZINC000158861202 392457010 /nfs/dbraw/zinc/45/70/10/392457010.db2.gz URPJLRYMBLNHGR-ZETCQYMHSA-N -1 3 280.259 1.358 10 0 CDAEHM COc1nc(NC(=O)[C@H](C)Oc2ccccc2F)n[n-]1 ZINC000158861202 392457017 /nfs/dbraw/zinc/45/70/17/392457017.db2.gz URPJLRYMBLNHGR-ZETCQYMHSA-N -1 3 280.259 1.358 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H](C)Oc2ccccc2F)n1 ZINC000158861202 392457023 /nfs/dbraw/zinc/45/70/23/392457023.db2.gz URPJLRYMBLNHGR-ZETCQYMHSA-N -1 3 280.259 1.358 10 0 CDAEHM CCCCC[C@@H]1CCCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000489282460 392486097 /nfs/dbraw/zinc/48/60/97/392486097.db2.gz CPIAKCDAJMLNAK-LLVKDONJSA-N -1 3 281.356 1.110 10 0 CDAEHM C[C@H]1CCN(CC(=O)NCC2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000574322782 392570764 /nfs/dbraw/zinc/57/07/64/392570764.db2.gz UGUHUOWDDHIHGP-JSGCOSHPSA-N -1 3 296.411 1.726 10 0 CDAEHM Cc1ccc([O-])c(C(=O)NCC(C)(C)[C@]2(O)CCOC2)c1 ZINC000649094818 392747421 /nfs/dbraw/zinc/74/74/21/392747421.db2.gz IAJBCNZYSYSCBC-INIZCTEOSA-N -1 3 293.363 1.608 10 0 CDAEHM COC(=O)[C@H](CC(C)C)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000450905599 392995594 /nfs/dbraw/zinc/99/55/94/392995594.db2.gz OMTWXRBVDDHBHO-MNOVXSKESA-N -1 3 297.355 1.542 10 0 CDAEHM CN(Cc1cc(=O)[n-]c(C2CC2)n1)C[C@H]1CCCO1 ZINC000459298717 393071204 /nfs/dbraw/zinc/07/12/04/393071204.db2.gz KFEHEMGVFPFKPI-GFCCVEGCSA-N -1 3 263.341 1.670 10 0 CDAEHM CCC[C@H](C[N-]S(=O)(=O)c1ccc(C)o1)OC ZINC000451642975 393385798 /nfs/dbraw/zinc/38/57/98/393385798.db2.gz ZPAKOPNJESTMLO-SNVBAGLBSA-N -1 3 261.343 1.681 10 0 CDAEHM O=C(c1cccc2[n-]nnc21)N1CCC[C@H]1c1cc[nH]n1 ZINC000548718522 393358279 /nfs/dbraw/zinc/35/82/79/393358279.db2.gz HENLZRVANAAYQB-LBPRGKRZSA-N -1 3 282.307 1.658 10 0 CDAEHM O=C(c1cccc2nn[n-]c21)N1CCC[C@H]1c1cc[nH]n1 ZINC000548718522 393358285 /nfs/dbraw/zinc/35/82/85/393358285.db2.gz HENLZRVANAAYQB-LBPRGKRZSA-N -1 3 282.307 1.658 10 0 CDAEHM O=C(c1cccc2n[n-]nc21)N1CCC[C@H]1c1cc[nH]n1 ZINC000548718522 393358290 /nfs/dbraw/zinc/35/82/90/393358290.db2.gz HENLZRVANAAYQB-LBPRGKRZSA-N -1 3 282.307 1.658 10 0 CDAEHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000452061404 393437785 /nfs/dbraw/zinc/43/77/85/393437785.db2.gz PEQMXMQWHNQAAK-GHMZBOCLSA-N -1 3 287.385 1.139 10 0 CDAEHM Cc1ncc(C(=O)N2CCN(c3ccccc3)CC2)c(=O)[n-]1 ZINC000082311516 135005308 /nfs/dbraw/zinc/00/53/08/135005308.db2.gz NBVOYYQESPLBII-UHFFFAOYSA-N -1 3 298.346 1.041 10 0 CDAEHM CS(=O)(=O)c1csc(C(=O)[N-]c2cnns2)c1 ZINC000188224103 140090410 /nfs/dbraw/zinc/09/04/10/140090410.db2.gz JRLFIPUSLFNDSZ-UHFFFAOYSA-N -1 3 289.363 1.255 10 0 CDAEHM CCC(C)(C)N1CCN(C(=O)C2CC(C(=O)[O-])C2)CC1 ZINC000656247614 413135190 /nfs/dbraw/zinc/13/51/90/413135190.db2.gz RPJACYIHWJBYGN-UHFFFAOYSA-N -1 3 282.384 1.430 10 0 CDAEHM CO[C@@H]1CCC[C@@H]([C@H](CO)[N-]c2nnc(C(F)F)o2)C1 ZINC000664201630 413144576 /nfs/dbraw/zinc/14/45/76/413144576.db2.gz UEPJOXKHXVYRLK-HLTSFMKQSA-N -1 3 291.298 1.985 10 0 CDAEHM CC[C@H]1COC(C)(C)CN1C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000650134451 397735627 /nfs/dbraw/zinc/73/56/27/397735627.db2.gz YLVDQNMSTRBZDX-JTQLQIEISA-N -1 3 296.371 1.272 10 0 CDAEHM CC[C@]([N-]S(=O)(=O)c1ccc(C)o1)(C(N)=O)C(C)C ZINC000359203805 288424093 /nfs/dbraw/zinc/42/40/93/288424093.db2.gz UVEVEGMPZLKMJK-GFCCVEGCSA-N -1 3 288.369 1.156 10 0 CDAEHM C[C@@H](CO)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000092927037 147028066 /nfs/dbraw/zinc/02/80/66/147028066.db2.gz ROBGYIFVIWRXMM-QMMMGPOBSA-N -1 3 265.309 1.216 10 0 CDAEHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H](C)COC ZINC000093313489 147043233 /nfs/dbraw/zinc/04/32/33/147043233.db2.gz XAORYRSWOMIACK-MRVPVSSYSA-N -1 3 284.312 1.635 10 0 CDAEHM COc1nnc(NC(=O)c2cc(F)ccc2OC)[n-]1 ZINC000179372623 148110667 /nfs/dbraw/zinc/11/06/67/148110667.db2.gz ODXUZUNHUIQOHB-UHFFFAOYSA-N -1 3 266.232 1.213 10 0 CDAEHM COc1nc(NC(=O)c2cc(F)ccc2OC)n[n-]1 ZINC000179372623 148110671 /nfs/dbraw/zinc/11/06/71/148110671.db2.gz ODXUZUNHUIQOHB-UHFFFAOYSA-N -1 3 266.232 1.213 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cc(F)ccc2OC)n1 ZINC000179372623 148110678 /nfs/dbraw/zinc/11/06/78/148110678.db2.gz ODXUZUNHUIQOHB-UHFFFAOYSA-N -1 3 266.232 1.213 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)N1CCC[C@@H]1C)C(=O)OC(C)(C)C ZINC000185068769 148386709 /nfs/dbraw/zinc/38/67/09/148386709.db2.gz JMHZSCKKJCWYFG-VHSXEESVSA-N -1 3 292.401 1.035 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1ccc2c(c1)OCC(=O)N2 ZINC000352499216 155228849 /nfs/dbraw/zinc/22/88/49/155228849.db2.gz DZAXTJTYFCKRTF-UHFFFAOYSA-N -1 3 299.286 1.048 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1n[nH]c2c1CCCCC2 ZINC000352509308 155237817 /nfs/dbraw/zinc/23/78/17/155237817.db2.gz OVWHQVIHJCPPTL-UHFFFAOYSA-N -1 3 286.335 1.709 10 0 CDAEHM Cc1nc(C)c(C(=O)NCc2ncccc2[O-])nc1C ZINC000352511812 155239231 /nfs/dbraw/zinc/23/92/31/155239231.db2.gz ZSFBVQHCXDJGAX-UHFFFAOYSA-N -1 3 272.308 1.432 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1cccc2[nH]cnc21 ZINC000352518521 155244977 /nfs/dbraw/zinc/24/49/77/155244977.db2.gz XXJPPGDUFKVRMT-UHFFFAOYSA-N -1 3 268.276 1.594 10 0 CDAEHM CCc1ccc(C(=O)N2CC[C@@H](O)C2(C)C)c([O-])c1 ZINC000335884505 151080463 /nfs/dbraw/zinc/08/04/63/151080463.db2.gz RHOJFYUDXDYYJO-CYBMUJFWSA-N -1 3 263.337 1.940 10 0 CDAEHM C[C@@H]1CC[C@H]1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000336143324 151307832 /nfs/dbraw/zinc/30/78/32/151307832.db2.gz HWTFTCIARXRMQA-BXKDBHETSA-N -1 3 282.365 1.586 10 0 CDAEHM COc1nc(NC(=O)[C@H](C)c2ccc(F)c(F)c2)n[n-]1 ZINC000352641943 155320237 /nfs/dbraw/zinc/32/02/37/155320237.db2.gz BIQRNRXLDGWULE-ZCFIWIBFSA-N -1 3 282.250 1.834 10 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IKZLPTOHQFGPRO-HZMBPMFUSA-N -1 3 281.356 1.013 10 0 CDAEHM C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC000355785088 157232972 /nfs/dbraw/zinc/23/29/72/157232972.db2.gz PJGRXYAMKRSWCT-IJLUTSLNSA-N -1 3 274.368 1.889 10 0 CDAEHM COC(=O)c1cnc(SCc2ccnc(C)n2)[n-]1 ZINC000355945499 157294231 /nfs/dbraw/zinc/29/42/31/157294231.db2.gz HCPRAIIJUAVXFP-UHFFFAOYSA-N -1 3 264.310 1.587 10 0 CDAEHM CCCCn1c(=O)[n-]nc1S[C@@H](C(=O)OC)C1CC1 ZINC000358922465 158072946 /nfs/dbraw/zinc/07/29/46/158072946.db2.gz LTZOLEFAFPNXOX-SECBINFHSA-N -1 3 285.369 1.828 10 0 CDAEHM CCc1nc(C(=O)NCc2ccc([O-])c(F)c2)no1 ZINC000359271731 158191489 /nfs/dbraw/zinc/19/14/89/158191489.db2.gz PSLUYDGCKNHDKG-UHFFFAOYSA-N -1 3 265.244 1.407 10 0 CDAEHM CCN(Cc1cn(C)nn1)Cc1nc(C)ccc1[O-] ZINC000359303382 158207126 /nfs/dbraw/zinc/20/71/26/158207126.db2.gz POFSXHIQOITMGG-UHFFFAOYSA-N -1 3 261.329 1.246 10 0 CDAEHM CCC1([N-]S(=O)(=O)c2cn3c(n2)CCCC3)CCC1 ZINC000371637089 160035981 /nfs/dbraw/zinc/03/59/81/160035981.db2.gz GEVJIYSPJAQDII-UHFFFAOYSA-N -1 3 283.397 1.830 10 0 CDAEHM COc1cc(C(=O)[N-]c2cccc(-c3nc[nH]n3)c2)on1 ZINC000373255842 160186301 /nfs/dbraw/zinc/18/63/01/160186301.db2.gz NJIKIQLPIKLPRZ-UHFFFAOYSA-N -1 3 285.263 1.721 10 0 CDAEHM O=c1cc(CN2CC[C@H]3OCCC[C@H]3C2)nc2cc[n-]n21 ZINC000374451158 160287383 /nfs/dbraw/zinc/28/73/83/160287383.db2.gz RBRQNIJHPMILRW-WCQYABFASA-N -1 3 288.351 1.024 10 0 CDAEHM COc1ccc([N-]S(=O)(=O)c2cccc(CN)c2)cn1 ZINC000022168613 171366917 /nfs/dbraw/zinc/36/69/17/171366917.db2.gz XPBBEXAOOYMKQL-UHFFFAOYSA-N -1 3 293.348 1.350 10 0 CDAEHM O=S(=O)(c1ccc([O-])cc1)N(CCO)c1ccccc1 ZINC000028569033 171564296 /nfs/dbraw/zinc/56/42/96/171564296.db2.gz RVJAGXAABBZEQY-UHFFFAOYSA-N -1 3 293.344 1.580 10 0 CDAEHM CC(C)CCC[C@@H](C)NC(=O)CSC[C@@H](N)C(=O)[O-] ZINC000035083400 171969750 /nfs/dbraw/zinc/96/97/50/171969750.db2.gz IOCCBWGOKPHCPI-GHMZBOCLSA-N -1 3 290.429 1.463 10 0 CDAEHM O=C([O-])CNCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000035385551 172168199 /nfs/dbraw/zinc/16/81/99/172168199.db2.gz ITWCGCUGADCBEN-UHFFFAOYSA-N -1 3 277.107 1.606 10 0 CDAEHM CC(C)[C@H](NCc1cc(C(N)=O)ccc1F)C(=O)[O-] ZINC000035390959 172174280 /nfs/dbraw/zinc/17/42/80/172174280.db2.gz DTMBHCGKCLAQOD-NSHDSACASA-N -1 3 268.288 1.123 10 0 CDAEHM CCc1cccc(NC(=O)CNCCCC(=O)[O-])c1 ZINC000035422573 172191242 /nfs/dbraw/zinc/19/12/42/172191242.db2.gz SGSRBBQTUQUEIO-UHFFFAOYSA-N -1 3 264.325 1.642 10 0 CDAEHM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(CCOCC2CC2)C1 ZINC000656758215 413638299 /nfs/dbraw/zinc/63/82/99/413638299.db2.gz YEFPWNBQKCHIGP-MNOVXSKESA-N -1 3 295.301 1.998 10 0 CDAEHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccsc2)c2ncnn21 ZINC000657066925 413897804 /nfs/dbraw/zinc/89/78/04/413897804.db2.gz RLLDJLUFIWDUQY-IONNQARKSA-N -1 3 284.366 1.324 10 0 CDAEHM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](N)C(C)C ZINC000037046801 172914030 /nfs/dbraw/zinc/91/40/30/172914030.db2.gz QNEKVQICXRZEFS-NSHDSACASA-N -1 3 250.298 1.615 10 0 CDAEHM Cc1c(S(=O)(=O)[N-]CC[C@]2(C)CC2(F)F)cnn1C 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CC(C)C[C@H](CNC(=O)C1(N)CC2(CCC2)C1)CC(=O)[O-] ZINC000663278919 414117107 /nfs/dbraw/zinc/11/71/07/414117107.db2.gz BCXCXOVNPAFHLR-LBPRGKRZSA-N -1 3 296.411 1.901 10 0 CDAEHM NC[C@H](C(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1ccccc1 ZINC000663280546 414120041 /nfs/dbraw/zinc/12/00/41/414120041.db2.gz SCWJGZMGURMXRB-UONOGXRCSA-N -1 3 290.363 1.346 10 0 CDAEHM CCN(CCC(=O)[O-])CC(=O)N[C@@H](C)CCC(C)C ZINC000038024180 174006709 /nfs/dbraw/zinc/00/67/09/174006709.db2.gz AOSXBJKUWBYQIK-LBPRGKRZSA-N -1 3 272.389 1.724 10 0 CDAEHM CCN(CCC(=O)[O-])[C@@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000038024221 174006959 /nfs/dbraw/zinc/00/69/59/174006959.db2.gz WXTCSUYHMALVPD-GFCCVEGCSA-N -1 3 296.367 1.243 10 0 CDAEHM CCN(CCC(=O)[O-])[C@H](C)C(=O)NC1CCCC1 ZINC000038025067 174008858 /nfs/dbraw/zinc/00/88/58/174008858.db2.gz BLQRKNKCCYXNEN-SNVBAGLBSA-N -1 3 256.346 1.230 10 0 CDAEHM Cc1nc(N)[n-]c(=O)c1CC(=O)N1c2ccccc2C[C@H]1C ZINC000040105199 174191098 /nfs/dbraw/zinc/19/10/98/174191098.db2.gz AQAJSXCHFLXAAT-SECBINFHSA-N 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GJYKGNANFWWYNF-RYUDHWBXSA-N -1 3 270.373 1.654 10 0 CDAEHM CC(C)[C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000040486802 174289913 /nfs/dbraw/zinc/28/99/13/174289913.db2.gz FHONBMRWKOPEBU-QWHCGFSZSA-N -1 3 276.336 1.008 10 0 CDAEHM CCN1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000040552889 174329487 /nfs/dbraw/zinc/32/94/87/174329487.db2.gz PNTLIERXXACFFW-CHWSQXEVSA-N -1 3 297.399 1.510 10 0 CDAEHM CC(C)N(CCCC(=O)[O-])C(=O)NC1CCN(C)CC1 ZINC000040573745 174339619 /nfs/dbraw/zinc/33/96/19/174339619.db2.gz ZYSICXBJKWWIIX-UHFFFAOYSA-N -1 3 285.388 1.365 10 0 CDAEHM CN1CCC[C@H](NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000040716489 174383501 /nfs/dbraw/zinc/38/35/01/174383501.db2.gz BUXHPTWNVDCYDV-QWHCGFSZSA-N -1 3 291.351 1.206 10 0 CDAEHM COc1ncnc(OC)c1CN[C@H](CC(C)C)C(=O)[O-] ZINC000043433375 175044018 /nfs/dbraw/zinc/04/40/18/175044018.db2.gz DQBFKLAIVUBNSJ-SNVBAGLBSA-N -1 3 283.328 1.083 10 0 CDAEHM CS(=O)(=O)CCNCc1ccc([O-])c(Cl)c1 ZINC000043480182 175055861 /nfs/dbraw/zinc/05/58/61/175055861.db2.gz DOTFXOKXOZTPKF-UHFFFAOYSA-N -1 3 263.746 1.180 10 0 CDAEHM CCC[C@](C)(N)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000043586277 175071450 /nfs/dbraw/zinc/07/14/50/175071450.db2.gz QHVFPCHGAUALSJ-FZMZJTMJSA-N -1 3 270.373 1.607 10 0 CDAEHM CCC[C@@H](N)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000043586225 175071698 /nfs/dbraw/zinc/07/16/98/175071698.db2.gz QPHFPFQKLBSORT-GHMZBOCLSA-N -1 3 256.346 1.217 10 0 CDAEHM CN(Cc1cc(Br)cs1)C[C@@H](N)C(=O)[O-] ZINC000043700189 175097447 /nfs/dbraw/zinc/09/74/47/175097447.db2.gz CTXRSZVRFABWOL-MRVPVSSYSA-N -1 3 293.186 1.354 10 0 CDAEHM O=C([O-])[C@@H]1c2ccsc2CCN1C(=O)[C@H]1CCCCN1 ZINC000044592574 175213361 /nfs/dbraw/zinc/21/33/61/175213361.db2.gz UXZRCEANMXCUFU-PWSUYJOCSA-N -1 3 294.376 1.401 10 0 CDAEHM Cc1ccc(CN2CCN([C@@H](C)C(=O)[O-])CC2)cc1 ZINC000044881173 175269668 /nfs/dbraw/zinc/26/96/68/175269668.db2.gz ZQQDLSVBLUWCJY-ZDUSSCGKSA-N -1 3 262.353 1.586 10 0 CDAEHM C[C@H](NCc1nn[n-]n1)c1ccc(Br)cc1 ZINC000044927821 175278260 /nfs/dbraw/zinc/27/82/60/175278260.db2.gz ZJPTXLLXYPTMFS-ZETCQYMHSA-N -1 3 282.145 1.813 10 0 CDAEHM C[C@H](CNC(=O)NC1(C(=O)[O-])CCCC1)N1CCCCC1 ZINC000045013394 175290689 /nfs/dbraw/zinc/29/06/89/175290689.db2.gz AMSVRPWWAGYJRM-GFCCVEGCSA-N -1 3 297.399 1.557 10 0 CDAEHM Cc1cccc(C(=O)N(C)[C@@H](C)C(N)=S)c1[O-] ZINC000045146592 175316979 /nfs/dbraw/zinc/31/69/79/175316979.db2.gz YGKZZTMRKOXELG-QMMMGPOBSA-N -1 3 252.339 1.447 10 0 CDAEHM C[C@@H]1CN(C[C@](N)(C(=O)[O-])c2ccccc2)C[C@H](C)O1 ZINC000045227778 175333510 /nfs/dbraw/zinc/33/35/10/175333510.db2.gz UEEGBFZMCGQIQK-TYNCELHUSA-N -1 3 278.352 1.034 10 0 CDAEHM Cc1ccc(C[N-]S(=O)(=O)c2cnccc2N)o1 ZINC000071235494 176093461 /nfs/dbraw/zinc/09/34/61/176093461.db2.gz HMJRIUXKGBTXFV-UHFFFAOYSA-N -1 3 267.310 1.044 10 0 CDAEHM Cc1cc(CC[N-]S(=O)(=O)c2cccs2)on1 ZINC000077123105 177227041 /nfs/dbraw/zinc/22/70/41/177227041.db2.gz UTGBEOSIUAGSEL-UHFFFAOYSA-N -1 3 272.351 1.566 10 0 CDAEHM CCCN(CCN(C)C)C(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000079508146 177509131 /nfs/dbraw/zinc/50/91/31/177509131.db2.gz LVHGTZSQXCLLSF-CQSZACIVSA-N -1 3 285.388 1.319 10 0 CDAEHM Cc1cccc(C(=O)N[C@@H](C(N)=S)C2CC2)c1[O-] ZINC000079861475 177570866 /nfs/dbraw/zinc/57/08/66/177570866.db2.gz KXFJJYIDBQMIJH-SNVBAGLBSA-N -1 3 264.350 1.495 10 0 CDAEHM COc1cc(=NC(=O)NCCc2ccsc2)[n-]n1C ZINC000548494918 289895037 /nfs/dbraw/zinc/89/50/37/289895037.db2.gz QDWGUCFUZMITME-UHFFFAOYSA-N -1 3 280.353 1.276 10 0 CDAEHM CC(C)c1ccc(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)c([O-])c1 ZINC000652792808 424196399 /nfs/dbraw/zinc/19/63/99/424196399.db2.gz MGBMEZOCIQYCCY-PHIMTYICSA-N -1 3 276.336 1.509 10 0 CDAEHM CCc1ccc(C(=O)N[C@H]2CCNC(=O)CC2)c([O-])c1 ZINC000665659398 424335705 /nfs/dbraw/zinc/33/57/05/424335705.db2.gz NLGOGDSKGIPDLQ-LLVKDONJSA-N -1 3 276.336 1.353 10 0 CDAEHM CN(C)S(=O)(=O)[N-][C@H](Cc1ccccc1)c1ncco1 ZINC000655677341 424361063 /nfs/dbraw/zinc/36/10/63/424361063.db2.gz KZNYWEOZTPGTPE-GFCCVEGCSA-N -1 3 295.364 1.354 10 0 CDAEHM COc1nccc(CN2CCCC[C@@H]2CC(=O)[O-])n1 ZINC000652463334 424453331 /nfs/dbraw/zinc/45/33/31/424453331.db2.gz AJHRWYGEKXMAFZ-LLVKDONJSA-N -1 3 265.313 1.314 10 0 CDAEHM C[C@H]1CCCCN1CCNC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000653308357 424548413 /nfs/dbraw/zinc/54/84/13/424548413.db2.gz IRKUXHRVQIPJGO-BBRMVZONSA-N -1 3 294.395 1.788 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H](C)C(O)[C@H](C)C2)n1 ZINC000661629804 424650764 /nfs/dbraw/zinc/65/07/64/424650764.db2.gz XTPVEVVCTKDGOO-KKZNHRDASA-N -1 3 265.357 1.500 10 0 CDAEHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2C[C@@H]2C)c([O-])c1 ZINC000171187672 270243846 /nfs/dbraw/zinc/24/38/46/270243846.db2.gz CLPYKRAFUAXNBB-CMPLNLGQSA-N -1 3 276.336 1.345 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@@H]2C[C@H]3C[C@H]3C2)sc1C ZINC000397779974 270350945 /nfs/dbraw/zinc/35/09/45/270350945.db2.gz YOKDUPOYONJUCF-AYMMMOKOSA-N -1 3 252.339 1.870 10 0 CDAEHM CC(C)[C@@](C)(CO)NC(=O)c1ccc(O)cc1[O-] ZINC000398605741 270355775 /nfs/dbraw/zinc/35/57/75/270355775.db2.gz 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/nfs/dbraw/zinc/78/01/38/289780138.db2.gz SCYFKYFRZLKEKA-UHFFFAOYSA-N -1 3 285.225 1.520 10 0 CDAEHM COc1cc(=NC(=O)COCCc2ccccc2)[n-]n1C ZINC000547817198 289812386 /nfs/dbraw/zinc/81/23/86/289812386.db2.gz MDWKCRJGQINDSA-UHFFFAOYSA-N -1 3 289.335 1.048 10 0 CDAEHM COc1cc(=NC(=O)N[C@H]2CC(C)(C)OC2(C)C)[n-]n1C ZINC000548499366 289896486 /nfs/dbraw/zinc/89/64/86/289896486.db2.gz XZEHQNNOSOLHIS-VIFPVBQESA-N -1 3 296.371 1.318 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CC[C@H](OC(F)F)C1 ZINC000549597589 289970816 /nfs/dbraw/zinc/97/08/16/289970816.db2.gz KXZFJOVLURHVLS-JTQLQIEISA-N -1 3 257.236 1.846 10 0 CDAEHM COc1cc(=NC(=O)NCC2(C(F)(F)F)CC2)[n-]n1C ZINC000554328887 290153192 /nfs/dbraw/zinc/15/31/92/290153192.db2.gz BFCMRWLVETXDIB-UHFFFAOYSA-N -1 3 292.261 1.315 10 0 CDAEHM Cc1cc2c([n-]c(-c3cnc(N)cn3)nc2=O)s1 ZINC000554521380 290169237 /nfs/dbraw/zinc/16/92/37/290169237.db2.gz QOIPSCHEKXIVRY-UHFFFAOYSA-N -1 3 259.294 1.745 10 0 CDAEHM COc1cc(=NC(=O)NC2CCC3(CC3)CC2)[n-]n1C ZINC000555814549 290239043 /nfs/dbraw/zinc/23/90/43/290239043.db2.gz KRSYQXJDMFJMOG-UHFFFAOYSA-N -1 3 278.356 1.695 10 0 CDAEHM CC(C)n1cc(C(=O)N=c2cc3ccccn3[n-]2)nn1 ZINC000556935359 290317011 /nfs/dbraw/zinc/31/70/11/290317011.db2.gz IOPLYVYCVPIDOJ-UHFFFAOYSA-N -1 3 270.296 1.181 10 0 CDAEHM COCc1n[n-]c(=NCCN2CCCCCC2)s1 ZINC000357031535 293324806 /nfs/dbraw/zinc/32/48/06/293324806.db2.gz CVRAUWQWHSUBAU-UHFFFAOYSA-N -1 3 270.402 1.394 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(C)nc2C2CC2)[n-]1 ZINC000564708791 293397778 /nfs/dbraw/zinc/39/77/78/293397778.db2.gz LASIEVVLOIYQKX-UHFFFAOYSA-N -1 3 273.296 1.646 10 0 CDAEHM COc1nc(NC(=O)c2ccc(C)nc2C2CC2)n[n-]1 ZINC000564708791 293397781 /nfs/dbraw/zinc/39/77/81/293397781.db2.gz LASIEVVLOIYQKX-UHFFFAOYSA-N -1 3 273.296 1.646 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(C)nc2C2CC2)n1 ZINC000564708791 293397784 /nfs/dbraw/zinc/39/77/84/293397784.db2.gz LASIEVVLOIYQKX-UHFFFAOYSA-N -1 3 273.296 1.646 10 0 CDAEHM Nc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1cscn1 ZINC000568769355 294099313 /nfs/dbraw/zinc/09/93/13/294099313.db2.gz GINCIRNJXISDAW-LLVKDONJSA-N -1 3 295.389 1.691 10 0 CDAEHM CO[C@H](CS(=O)(=O)[N-]Cc1ncccc1F)C1CC1 ZINC000569100124 294155680 /nfs/dbraw/zinc/15/56/80/294155680.db2.gz ZDJHHGISJCLMMX-GFCCVEGCSA-N -1 3 288.344 1.065 10 0 CDAEHM Cn1nnc2cc(CNC3(c4nn[n-]n4)CCCC3)ccc21 ZINC000570220279 294198120 /nfs/dbraw/zinc/19/81/20/294198120.db2.gz NRMTUIKBCBJHBI-UHFFFAOYSA-N -1 3 298.354 1.041 10 0 CDAEHM Cn1nnc2cc(CNC3(c4nnn[n-]4)CCCC3)ccc21 ZINC000570220279 294198125 /nfs/dbraw/zinc/19/81/25/294198125.db2.gz NRMTUIKBCBJHBI-UHFFFAOYSA-N -1 3 298.354 1.041 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCO[C@@]2(CCSC2)C1 ZINC000570571490 294263706 /nfs/dbraw/zinc/26/37/06/294263706.db2.gz FBCURTBIRWYJQK-AWEZNQCLSA-N -1 3 295.360 1.446 10 0 CDAEHM CCC[C@@H](C)C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000571623871 294471804 /nfs/dbraw/zinc/47/18/04/294471804.db2.gz PBEZXSVPBIQTAF-ZJUUUORDSA-N -1 3 265.361 1.327 10 0 CDAEHM CCCN(CC(=O)[O-])C(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000573211223 294774369 /nfs/dbraw/zinc/77/43/69/294774369.db2.gz IGKRMGHXVODPDN-LBPRGKRZSA-N -1 3 282.315 1.191 10 0 CDAEHM COc1ccc(C(=O)N2CCC[C@]23CCOC3)c([O-])c1 ZINC000312902433 295085396 /nfs/dbraw/zinc/08/53/96/295085396.db2.gz YTWFUPSSSUFSQF-OAHLLOKOSA-N -1 3 277.320 1.796 10 0 CDAEHM Cc1ccc([O-])c([C@@H]2NC(=O)[C@H]3C[C@H](C)CCN32)n1 ZINC000490883413 301654443 /nfs/dbraw/zinc/65/44/43/301654443.db2.gz ILJXCLXOUGEUJD-ZDSQKVDBSA-N -1 3 261.325 1.325 10 0 CDAEHM Cn1ncc2c1ncc(C(=O)N1CCCC3(CC3)C1)c2[O-] ZINC000184120965 303059750 /nfs/dbraw/zinc/05/97/50/303059750.db2.gz YMPLURQBBVYKOR-UHFFFAOYSA-N -1 3 286.335 1.690 10 0 CDAEHM Cc1ccc(-c2noc([C@@H](C)[N-]S(C)(=O)=O)n2)s1 ZINC000351171600 316241816 /nfs/dbraw/zinc/24/18/16/316241816.db2.gz UBAARRKDZREZIC-SSDOTTSWSA-N -1 3 287.366 1.717 10 0 CDAEHM Cn1cc(C(C)(C)[N-]S(=O)(=O)c2ccccc2F)nn1 ZINC000576399829 317131639 /nfs/dbraw/zinc/13/16/39/317131639.db2.gz UKOPDFZWYMCDFK-UHFFFAOYSA-N -1 3 298.343 1.168 10 0 CDAEHM CCC(C)(C)NC(=O)CN1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000576754422 317200849 /nfs/dbraw/zinc/20/08/49/317200849.db2.gz AYYYMPJJYAXBBY-QWRGUYRKSA-N -1 3 270.373 1.334 10 0 CDAEHM C[C@@H](Cc1ccncc1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000578141562 317479253 /nfs/dbraw/zinc/47/92/53/317479253.db2.gz NSYMIDZKYXEFEA-JTQLQIEISA-N -1 3 298.346 1.816 10 0 CDAEHM COc1cc(=NC(=O)N2CCC[C@@](C)(OC)CC2)[n-]n1C ZINC000578279683 317505829 /nfs/dbraw/zinc/50/58/29/317505829.db2.gz QIUHKYUNXABKPG-CQSZACIVSA-N -1 3 296.371 1.274 10 0 CDAEHM Cn1cc(C(N)=O)cc1C(=O)Nc1ccc([O-])cc1F ZINC000180861162 323221754 /nfs/dbraw/zinc/22/17/54/323221754.db2.gz OKJMASHYTGXLHY-UHFFFAOYSA-N -1 3 277.255 1.221 10 0 CDAEHM CC(=O)N[C@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000182121270 323263293 /nfs/dbraw/zinc/26/32/93/323263293.db2.gz QAKIFXUSBZBAQO-LBPRGKRZSA-N -1 3 262.309 1.133 10 0 CDAEHM Cc1cc(COCc2nc(-c3cc(=O)[n-]cn3)no2)on1 ZINC000351368055 323587964 /nfs/dbraw/zinc/58/79/64/323587964.db2.gz JRPLNSBAEJMPCR-UHFFFAOYSA-N -1 3 289.251 1.245 10 0 CDAEHM C[C@@H]1CCN(CC(=O)NCc2ccccc2)C[C@H]1C(=O)[O-] ZINC000579718070 324264820 /nfs/dbraw/zinc/26/48/20/324264820.db2.gz JHWAMENKFUEXDU-TZMCWYRMSA-N -1 3 290.363 1.345 10 0 CDAEHM CC[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000580034218 324345018 /nfs/dbraw/zinc/34/50/18/324345018.db2.gz FAMQCWYAYXLQAH-LDYMZIIASA-N -1 3 257.297 1.851 10 0 CDAEHM CC[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000580034218 324345021 /nfs/dbraw/zinc/34/50/21/324345021.db2.gz FAMQCWYAYXLQAH-LDYMZIIASA-N -1 3 257.297 1.851 10 0 CDAEHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1c(C)noc1C ZINC000580082781 324363705 /nfs/dbraw/zinc/36/37/05/324363705.db2.gz SMZUYWSGQOZGJX-GZMMTYOYSA-N -1 3 290.385 1.367 10 0 CDAEHM Cc1nc(=NC(=O)[C@H](CN)c2ccc(F)cc2)s[n-]1 ZINC000581546493 324776680 /nfs/dbraw/zinc/77/66/80/324776680.db2.gz RMJBVQNAURPAFF-SNVBAGLBSA-N -1 3 280.328 1.089 10 0 CDAEHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CCC(=O)c3cccn32)c1C ZINC000582765464 325038940 /nfs/dbraw/zinc/03/89/40/325038940.db2.gz SPNPYTKEMJFUSU-LBPRGKRZSA-N -1 3 286.335 1.660 10 0 CDAEHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000583267992 325141968 /nfs/dbraw/zinc/14/19/68/325141968.db2.gz CJPWFUOVELPYEN-JOYOIKCWSA-N -1 3 290.360 1.296 10 0 CDAEHM CCCn1c(=O)[n-]nc1SCc1cc(C(C)=O)no1 ZINC000583510281 325192027 /nfs/dbraw/zinc/19/20/27/325192027.db2.gz NIFCPKULUICSGV-UHFFFAOYSA-N -1 3 282.325 1.877 10 0 CDAEHM O=[S@](Cc1cn(CC2CC2)nn1)c1ccc([O-])cc1 ZINC000583918973 325266471 /nfs/dbraw/zinc/26/64/71/325266471.db2.gz PIKMTZIWBBGVBM-LJQANCHMSA-N -1 3 277.349 1.702 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CCOC[C@H]1C(F)(F)F ZINC000669027127 482458891 /nfs/dbraw/zinc/45/88/91/482458891.db2.gz QMHXRLJMKLVCLE-JTQLQIEISA-N -1 3 290.241 1.119 10 0 CDAEHM O=C(CNC(=O)c1cccc([O-])c1)N[C@@H]1CCCC1(F)F ZINC000673377438 482727196 /nfs/dbraw/zinc/72/71/96/482727196.db2.gz FRCMOUALOAFFEJ-LLVKDONJSA-N -1 3 298.289 1.426 10 0 CDAEHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)C(C)(C)O ZINC000681256983 482772722 /nfs/dbraw/zinc/77/27/22/482772722.db2.gz KEVMMHUZOTYUON-SECBINFHSA-N -1 3 275.345 1.572 10 0 CDAEHM CNC(=O)Cc1ccc(NC(=O)c2cccc([O-])c2)cc1 ZINC000679625525 482839285 /nfs/dbraw/zinc/83/92/85/482839285.db2.gz WFBVUEDEBUXOTD-UHFFFAOYSA-N -1 3 284.315 1.933 10 0 CDAEHM O=C([O-])[C@@H]1CN(C[C@H]2CCOC2)Cc2ccccc21 ZINC000250538532 483019898 /nfs/dbraw/zinc/01/98/98/483019898.db2.gz SXMSYXOYMXRBFX-BXUZGUMPSA-N -1 3 261.321 1.707 10 0 CDAEHM C[C@H](CNC(=O)c1cc(=O)[n-]c(N(C)C)n1)C1CC1 ZINC000683404233 483041928 /nfs/dbraw/zinc/04/19/28/483041928.db2.gz AGIRORHOSDJPPE-MRVPVSSYSA-N -1 3 264.329 1.024 10 0 CDAEHM Cc1cnn(C)c1NC(=O)NCc1ncccc1[O-] ZINC000667447516 483292759 /nfs/dbraw/zinc/29/27/59/483292759.db2.gz ZFBBCMHUUOZUMS-UHFFFAOYSA-N -1 3 261.285 1.151 10 0 CDAEHM COc1ccc(NC(=O)[C@@H]2CCCN(C)C2=O)c([O-])c1 ZINC000451023532 483296811 /nfs/dbraw/zinc/29/68/11/483296811.db2.gz FONRVMFXPOGLPJ-JTQLQIEISA-N -1 3 278.308 1.208 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCC(OCCCO)CC1 ZINC000679637617 483403540 /nfs/dbraw/zinc/40/35/40/483403540.db2.gz JXCFJVDZMMRPNC-UHFFFAOYSA-N -1 3 279.336 1.396 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H](OC(F)F)C1 ZINC000679718698 483428694 /nfs/dbraw/zinc/42/86/94/483428694.db2.gz INLHTMVUIQFJAY-SECBINFHSA-N -1 3 287.262 1.942 10 0 CDAEHM C[C@@H]1CC[C@]2(CCN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)C2)C1 ZINC000679758986 483435629 /nfs/dbraw/zinc/43/56/29/483435629.db2.gz CUFLKOSUDOICBY-HFAKWTLXSA-N -1 3 293.367 1.013 10 0 CDAEHM COCc1csc(CNC2(c3nn[n-]n3)CCCC2)c1 ZINC000667926062 483481439 /nfs/dbraw/zinc/48/14/39/483481439.db2.gz XAFVFBPTGJGQND-UHFFFAOYSA-N -1 3 293.396 1.967 10 0 CDAEHM COCc1csc(CNC2(c3nnn[n-]3)CCCC2)c1 ZINC000667926062 483481443 /nfs/dbraw/zinc/48/14/43/483481443.db2.gz XAFVFBPTGJGQND-UHFFFAOYSA-N -1 3 293.396 1.967 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)C2CC(F)(F)C2)n[n-]1 ZINC000676454576 483495843 /nfs/dbraw/zinc/49/58/43/483495843.db2.gz SLGNZQWFSVDHMQ-UHFFFAOYSA-N -1 3 281.266 1.794 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)C2CC(F)(F)C2)[n-]n1 ZINC000676454576 483495847 /nfs/dbraw/zinc/49/58/47/483495847.db2.gz SLGNZQWFSVDHMQ-UHFFFAOYSA-N -1 3 281.266 1.794 10 0 CDAEHM COc1ccnc(C(=O)[N-]c2ncn(C(C)(C)C)n2)c1 ZINC000680107556 483538691 /nfs/dbraw/zinc/53/86/91/483538691.db2.gz KERLLFFIMSZCRE-UHFFFAOYSA-N -1 3 275.312 1.689 10 0 CDAEHM CCN(CC(=O)N1CCCC[C@@H]1C)C[C@@H](C)C(=O)[O-] ZINC000061218388 520311115 /nfs/dbraw/zinc/31/11/15/520311115.db2.gz KQGPHWKXTSGDMV-NEPJUHHUSA-N -1 3 270.373 1.430 10 0 CDAEHM CCCC[C@@H](NC(=O)N[C@H]1CCCN(CC)C1)C(=O)[O-] ZINC000049227791 521083194 /nfs/dbraw/zinc/08/31/94/521083194.db2.gz IQWKQLVNSKFAIA-NWDGAFQWSA-N -1 3 285.388 1.413 10 0 CDAEHM CCCN(CC(=O)[O-])C(=O)N[C@H](CC(C)C)CN(C)C ZINC000049560921 521558363 /nfs/dbraw/zinc/55/83/63/521558363.db2.gz JZJHYTASWMQQPL-GFCCVEGCSA-N -1 3 287.404 1.469 10 0 CDAEHM CN(C)c1nc(C(=O)NC2CCC3(CC3)CC2)cc(=O)[n-]1 ZINC000559042458 517916646 /nfs/dbraw/zinc/91/66/46/517916646.db2.gz NBRYGZNMSMSFLG-UHFFFAOYSA-N -1 3 290.367 1.701 10 0 CDAEHM CC(C)CN(CCN(C)C)c1cc(N)ccc1C(=O)[O-] ZINC000069514398 519716871 /nfs/dbraw/zinc/71/68/71/519716871.db2.gz ZLFVZUUIDXIAKP-UHFFFAOYSA-N -1 3 279.384 1.991 10 0 CDAEHM CC(C)n1c(=O)[n-]nc1Sc1nccnc1Cl ZINC000061596042 519918854 /nfs/dbraw/zinc/91/88/54/519918854.db2.gz UTCXAECOVGVAKT-UHFFFAOYSA-N -1 3 271.733 1.747 10 0 CDAEHM CCN(CC(=O)Nc1ccc(C)cc1)C[C@H](C)C(=O)[O-] ZINC000061220383 520357687 /nfs/dbraw/zinc/35/76/87/520357687.db2.gz UUEPYOFJWLYKAG-LBPRGKRZSA-N -1 3 278.352 1.976 10 0 CDAEHM CCC[C@@H](CC)NC(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000061146366 520681110 /nfs/dbraw/zinc/68/11/10/520681110.db2.gz LIYWWEGVYDIPEN-GFCCVEGCSA-N -1 3 285.388 1.367 10 0 CDAEHM CCC[C@@H](NC(=O)N[C@@H](C)CN1CCCCC1)C(=O)[O-] ZINC000049502797 520740867 /nfs/dbraw/zinc/74/08/67/520740867.db2.gz CMBAELLPFHGDAU-NWDGAFQWSA-N -1 3 285.388 1.413 10 0 CDAEHM CCOC(=O)CS(=O)(=O)[N-]c1ccc2c(c1)NCCC2 ZINC000069053202 520807009 /nfs/dbraw/zinc/80/70/09/520807009.db2.gz UEYXUDRJWHCWEM-UHFFFAOYSA-N 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CDAEHM C[C@]1([N-]S(=O)(=O)c2cccnc2F)CCCOC1 ZINC000401894185 901929604 /nfs/dbraw/zinc/92/96/04/901929604.db2.gz VHWKLLTYHVQVNX-NSHDSACASA-N -1 3 274.317 1.068 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CC)CCO)c1 ZINC001123760213 914627481 /nfs/dbraw/zinc/62/74/81/914627481.db2.gz LDEBHDMTTDBVDM-JTQLQIEISA-N -1 3 292.335 1.408 10 0 CDAEHM CCOCCCN1CC(N(C)C(=O)c2ccccc2[O-])C1 ZINC001483851487 915114939 /nfs/dbraw/zinc/11/49/39/915114939.db2.gz PJRDULHVJKNUHE-UHFFFAOYSA-N -1 3 292.379 1.575 10 0 CDAEHM CCn1c(C)cc2n[n-]c(NC(=O)c3cocn3)c2c1=O ZINC001183781391 918687204 /nfs/dbraw/zinc/68/72/04/918687204.db2.gz RUTNPQGLIKLWLK-UHFFFAOYSA-N -1 3 287.279 1.293 10 0 CDAEHM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cnncc1[O-] ZINC001138733399 936561708 /nfs/dbraw/zinc/56/17/08/936561708.db2.gz RFEYPQKWDCBZPW-CMPLNLGQSA-N -1 3 255.277 1.468 10 0 CDAEHM O=C(NCc1cc(=O)c([O-])co1)c1sccc1Cl ZINC001413740033 936721812 /nfs/dbraw/zinc/72/18/12/936721812.db2.gz XDWZWVFLQQXNGY-UHFFFAOYSA-N -1 3 285.708 1.990 10 0 CDAEHM CC(=O)Nc1cccc(CC(=O)[N-]OCc2ccccn2)c1 ZINC001141946373 936957069 /nfs/dbraw/zinc/95/70/69/936957069.db2.gz MBHDBNKFONLMGC-UHFFFAOYSA-N -1 3 299.330 1.831 10 0 CDAEHM CCOC(=O)/C=C\CN1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001197467436 925144733 /nfs/dbraw/zinc/14/47/33/925144733.db2.gz FBLRIJUFOMOVDS-ARJAWSKDSA-N -1 3 289.335 1.495 10 0 CDAEHM O=C(c1sccc1F)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000826629823 925912497 /nfs/dbraw/zinc/91/24/97/925912497.db2.gz UXYPZKZUAJFLHV-SSDOTTSWSA-N -1 3 281.312 1.946 10 0 CDAEHM CS(=O)(=O)c1ccc(/C=C/C(=O)[N-]OC2CCCC2)o1 ZINC000860601061 929175908 /nfs/dbraw/zinc/17/59/08/929175908.db2.gz FAOVZLGCOXVITJ-SOFGYWHQSA-N -1 3 299.348 1.687 10 0 CDAEHM O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1nnc2ccccc2c1[O-] ZINC000863289050 929530598 /nfs/dbraw/zinc/53/05/98/929530598.db2.gz WJFOVCBGQDTURI-ZWNOBZJWSA-N -1 3 299.330 1.633 10 0 CDAEHM O=C(NCCc1cccc(F)c1)c1cnncc1[O-] ZINC001135862629 930480825 /nfs/dbraw/zinc/48/08/25/930480825.db2.gz SVRPYFDVEKTCCA-UHFFFAOYSA-N -1 3 261.256 1.294 10 0 CDAEHM Cc1cc(NC(=O)c2cc(=O)[n-]cn2)ccc1N(C)C ZINC001136095844 930664576 /nfs/dbraw/zinc/66/45/76/930664576.db2.gz KVBGLICRAFGTFG-UHFFFAOYSA-N -1 3 272.308 1.809 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCCc1cccnc1 ZINC001411765776 932005081 /nfs/dbraw/zinc/00/50/81/932005081.db2.gz KUPJNLBXCALJSC-CYBMUJFWSA-N -1 3 288.351 1.033 10 0 CDAEHM COc1ccc([N-]C(=O)c2nc(-c3cnccn3)no2)nc1 ZINC001146666209 932279836 /nfs/dbraw/zinc/27/98/36/932279836.db2.gz NHKXDYZBUHTZAI-UHFFFAOYSA-N -1 3 298.262 1.183 10 0 CDAEHM CC(C)[C@H](F)C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001412708309 932654638 /nfs/dbraw/zinc/65/46/38/932654638.db2.gz SQMRIPPXMZRKRQ-WDSKDSINSA-N -1 3 282.241 1.995 10 0 CDAEHM Cc1cnc([C@H](C)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cn1 ZINC001118557875 937640171 /nfs/dbraw/zinc/64/01/71/937640171.db2.gz KFNVXLDGVVETPD-USWWRNFRSA-N -1 3 263.341 1.889 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)Cc2cnc(C)o2)[n-]n1 ZINC001412766909 934339406 /nfs/dbraw/zinc/33/94/06/934339406.db2.gz MGRAGMQTWMDWJF-UHFFFAOYSA-N -1 3 278.268 1.064 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)Cc2cnc(C)o2)n[n-]1 ZINC001412766909 934339415 /nfs/dbraw/zinc/33/94/15/934339415.db2.gz MGRAGMQTWMDWJF-UHFFFAOYSA-N -1 3 278.268 1.064 10 0 CDAEHM O=C(c1ccc([O-])cn1)N1CC[C@@H](N2CCC2)[C@@H](F)C1 ZINC001412913406 935088385 /nfs/dbraw/zinc/08/83/85/935088385.db2.gz CNTOXQKPRBLJEG-WCQYABFASA-N -1 3 279.315 1.046 10 0 CDAEHM Cc1nc(C)c(CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)[nH]1 ZINC001413059651 935607439 /nfs/dbraw/zinc/60/74/39/935607439.db2.gz MWUPCKQYPBTINX-UHFFFAOYSA-N -1 3 285.351 1.915 10 0 CDAEHM CC1([N-]S(=O)(=O)c2cccnc2F)CCCC1 ZINC000401848534 940882815 /nfs/dbraw/zinc/88/28/15/940882815.db2.gz BVFMWOVREJMTFZ-UHFFFAOYSA-N -1 3 258.318 1.832 10 0 CDAEHM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1cccnc1F ZINC000401852893 940883655 /nfs/dbraw/zinc/88/36/55/940883655.db2.gz XPVUHVSUYIHLDR-MRVPVSSYSA-N -1 3 276.358 1.393 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(F)c(C)cc1F ZINC001362055285 970825019 /nfs/dbraw/zinc/82/50/19/970825019.db2.gz CCPVADSLYDAGIL-VIFPVBQESA-N -1 3 295.289 1.515 10 0 CDAEHM O=c1[n-]c(C2CC2)nc2c1CN(CC[C@@H]1CCCO1)C2 ZINC001473766965 970847451 /nfs/dbraw/zinc/84/74/51/970847451.db2.gz YUVDWWDLVCTKIV-NSHDSACASA-N -1 3 275.352 1.944 10 0 CDAEHM Cn1nnc(C(=O)[N-]c2cc(Cl)c(Cl)cc2F)n1 ZINC001524398304 970856663 /nfs/dbraw/zinc/85/66/63/970856663.db2.gz XDNYOEJQVSFTND-UHFFFAOYSA-N -1 3 290.085 1.908 10 0 CDAEHM CSc1ncc(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)c(=O)[n-]1 ZINC001362242747 971061294 /nfs/dbraw/zinc/06/12/94/971061294.db2.gz FTHJNAOALJYAKO-BDAKNGLRSA-N -1 3 296.396 1.069 10 0 CDAEHM Cc1ccc(C(=O)N[C@H](C)C2N=NC(=O)N2C)c([O-])c1 ZINC001362627253 971471955 /nfs/dbraw/zinc/47/19/55/971471955.db2.gz RGLXYBCPYYYKGR-MRVPVSSYSA-N -1 3 276.296 1.026 10 0 CDAEHM CC(C)[C@H](O)C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001363007768 971810776 /nfs/dbraw/zinc/81/07/76/971810776.db2.gz VREUJGPYSFWRAN-RITPCOANSA-N -1 3 280.250 1.018 10 0 CDAEHM C[C@H](NC(=O)[C@@H]1CC1(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001363743428 953734738 /nfs/dbraw/zinc/73/47/38/953734738.db2.gz WNENPPITNJZBMB-IMJSIDKUSA-N -1 3 284.188 1.656 10 0 CDAEHM CCc1cccc(C(=O)N2CC[C@]23CCOC3)c1[O-] ZINC001325489278 953926644 /nfs/dbraw/zinc/92/66/44/953926644.db2.gz KACJHCSRTWWCLO-OAHLLOKOSA-N -1 3 261.321 1.960 10 0 CDAEHM O=C([C@@H]1CCC(=O)C1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001363878570 953961535 /nfs/dbraw/zinc/96/15/35/953961535.db2.gz KCCXZAOWHATDAD-SECBINFHSA-N -1 3 287.319 1.271 10 0 CDAEHM Cc1cccc(C)c1OCCNC(=O)c1cnncc1[O-] ZINC001290978278 954087344 /nfs/dbraw/zinc/08/73/44/954087344.db2.gz ZDEOOZIIRWFWIY-UHFFFAOYSA-N -1 3 287.319 1.608 10 0 CDAEHM Cc1nc[n-]c(=O)c1CCC(=O)NCC[C@@H]1C[C@H]1C1CC1 ZINC001364113751 954218065 /nfs/dbraw/zinc/21/80/65/954218065.db2.gz HINIOOURNVAAAA-OCCSQVGLSA-N -1 3 289.379 1.976 10 0 CDAEHM O=C(NCCOc1ncccc1Cl)c1cc(=O)[n-]cn1 ZINC001294502429 954517608 /nfs/dbraw/zinc/51/76/08/954517608.db2.gz MKRSLZVJQPWTOQ-UHFFFAOYSA-N -1 3 294.698 1.039 10 0 CDAEHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H](N)C1CCCCC1 ZINC001327400260 954864407 /nfs/dbraw/zinc/86/44/07/954864407.db2.gz YBFCKUSUPVGDOE-GHMZBOCLSA-N -1 3 256.346 1.216 10 0 CDAEHM O=C(NC[C@H]1CCN(CC(F)F)C1)c1cncc([O-])c1 ZINC001364597584 954866982 /nfs/dbraw/zinc/86/69/82/954866982.db2.gz RXFRDMJHXXVGOM-SECBINFHSA-N -1 3 285.294 1.104 10 0 CDAEHM C[C@@H](NC(=O)[C@H](O)C1CCC1)c1nc(C(F)(F)F)n[n-]1 ZINC001365029276 955518680 /nfs/dbraw/zinc/51/86/80/955518680.db2.gz XJCMQOHSBSUETJ-IYSWYEEDSA-N -1 3 292.261 1.162 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N[C@@H](C)C1N=NC(=O)N1C ZINC001363463684 972187634 /nfs/dbraw/zinc/18/76/34/972187634.db2.gz INLUCNREUQOHAL-QMMMGPOBSA-N -1 3 276.296 1.026 10 0 CDAEHM O=C([O-])[C@@H](NCc1cnc(Cl)c(F)c1)[C@H]1CCCO1 ZINC001331845512 957296531 /nfs/dbraw/zinc/29/65/31/957296531.db2.gz KFKNDPZLWVFPST-ZJUUUORDSA-N -1 3 288.706 1.596 10 0 CDAEHM CCOCCN(CCNC(=O)c1ncccc1[O-])C1CC1 ZINC001317550248 957546106 /nfs/dbraw/zinc/54/61/06/957546106.db2.gz XRNLIHYXLTVXLT-UHFFFAOYSA-N -1 3 293.367 1.018 10 0 CDAEHM O=C([O-])c1cc(CN2CC[C@H]3CSC[C@H]3C2)[nH]n1 ZINC001332407820 957551373 /nfs/dbraw/zinc/55/13/73/957551373.db2.gz VMRGCBIBKNFCPE-DTWKUNHWSA-N -1 3 267.354 1.293 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(C(F)F)nc1 ZINC001433736447 960570629 /nfs/dbraw/zinc/57/06/29/960570629.db2.gz WOPKHNNGQPLJNU-VIFPVBQESA-N -1 3 296.277 1.261 10 0 CDAEHM O=C(c1ccc([O-])c(Cl)c1)N1CC(N[C@H]2CCOC2)C1 ZINC001434385116 961265929 /nfs/dbraw/zinc/26/59/29/961265929.db2.gz FQTYGGKZZDDDCR-JTQLQIEISA-N -1 3 296.754 1.249 10 0 CDAEHM CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001420453690 962923992 /nfs/dbraw/zinc/92/39/92/962923992.db2.gz XPUZXCSWBALTLR-GRYCIOLGSA-N -1 3 290.367 1.313 10 0 CDAEHM CC1(C)C[C@H](OC(=O)c2cccc3nn[n-]c32)CO1 ZINC001346756305 965241499 /nfs/dbraw/zinc/24/14/99/965241499.db2.gz DLGMUBUFWYZWNS-QMMMGPOBSA-N -1 3 261.281 1.682 10 0 CDAEHM CC1(C)C[C@H](OC(=O)c2cccc3[n-]nnc32)CO1 ZINC001346756305 965241507 /nfs/dbraw/zinc/24/15/07/965241507.db2.gz DLGMUBUFWYZWNS-QMMMGPOBSA-N -1 3 261.281 1.682 10 0 CDAEHM CC1(C)C[C@H](OC(=O)c2cccc3n[n-]nc32)CO1 ZINC001346756305 965241516 /nfs/dbraw/zinc/24/15/16/965241516.db2.gz DLGMUBUFWYZWNS-QMMMGPOBSA-N -1 3 261.281 1.682 10 0 CDAEHM CCC/C(C)=C\C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001347253426 965439955 /nfs/dbraw/zinc/43/99/55/965439955.db2.gz JROMHNFHCNIIOR-LUAWRHEFSA-N -1 3 277.372 1.727 10 0 CDAEHM CCC/C(C)=C\C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001347253426 965439962 /nfs/dbraw/zinc/43/99/62/965439962.db2.gz JROMHNFHCNIIOR-LUAWRHEFSA-N -1 3 277.372 1.727 10 0 CDAEHM COC(=O)CCCO[N-]C(=O)c1c(Cl)ccnc1F ZINC001347478493 965548325 /nfs/dbraw/zinc/54/83/25/965548325.db2.gz WOICLCQYQMGOSL-UHFFFAOYSA-N -1 3 290.678 1.489 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(OC(F)F)nc2)[n-]1 ZINC001446195244 966482811 /nfs/dbraw/zinc/48/28/11/966482811.db2.gz VTANMGVTIZMNGI-UHFFFAOYSA-N -1 3 285.210 1.062 10 0 CDAEHM COc1nc(NC(=O)c2ccc(OC(F)F)nc2)n[n-]1 ZINC001446195244 966482817 /nfs/dbraw/zinc/48/28/17/966482817.db2.gz VTANMGVTIZMNGI-UHFFFAOYSA-N -1 3 285.210 1.062 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(OC(F)F)nc2)n1 ZINC001446195244 966482822 /nfs/dbraw/zinc/48/28/22/966482822.db2.gz VTANMGVTIZMNGI-UHFFFAOYSA-N -1 3 285.210 1.062 10 0 CDAEHM COC(=O)/C=C\[C@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC001350955902 966812053 /nfs/dbraw/zinc/81/20/53/966812053.db2.gz RXRAGGZJUKOWNV-RWIWAZIYSA-N -1 3 281.283 1.308 10 0 CDAEHM CN(Cc1ccc(Cl)nc1)C(=O)c1cc(=O)[n-]cn1 ZINC001540492106 967142334 /nfs/dbraw/zinc/14/23/34/967142334.db2.gz VPQSKMJPFLMKKG-UHFFFAOYSA-N -1 3 278.699 1.503 10 0 CDAEHM CC(C)O[N-]C(=O)CCCc1nc(C2CC2)no1 ZINC001450318135 967687491 /nfs/dbraw/zinc/68/74/91/967687491.db2.gz XBHDIFGGJYHCHZ-UHFFFAOYSA-N -1 3 253.302 1.726 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)c2ccc(Cl)nc2)n1 ZINC001300201553 967711519 /nfs/dbraw/zinc/71/15/19/967711519.db2.gz NULGGNVXIZWPCE-UHFFFAOYSA-N -1 3 278.699 1.469 10 0 CDAEHM CCOc1nnc(NC(=O)c2ccc3cc[nH]c3n2)[n-]1 ZINC001454982804 968583556 /nfs/dbraw/zinc/58/35/56/968583556.db2.gz UBPUVAQGTYSNQG-UHFFFAOYSA-N -1 3 272.268 1.332 10 0 CDAEHM CCOc1nc(NC(=O)c2ccc3cc[nH]c3n2)n[n-]1 ZINC001454982804 968583566 /nfs/dbraw/zinc/58/35/66/968583566.db2.gz UBPUVAQGTYSNQG-UHFFFAOYSA-N -1 3 272.268 1.332 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2ccc3cc[nH]c3n2)n1 ZINC001454982804 968583574 /nfs/dbraw/zinc/58/35/74/968583574.db2.gz UBPUVAQGTYSNQG-UHFFFAOYSA-N -1 3 272.268 1.332 10 0 CDAEHM Cc1nccnc1[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC001455475551 968719433 /nfs/dbraw/zinc/71/94/33/968719433.db2.gz BEQKPFIKDKHWLO-VIFPVBQESA-N -1 3 273.292 1.687 10 0 CDAEHM O=C(C=Cc1ccco1)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001455657591 968765648 /nfs/dbraw/zinc/76/56/48/968765648.db2.gz BCTOEWUKPCZGGT-AATRIKPKSA-N -1 3 285.303 1.982 10 0 CDAEHM CC(C)(C)C(=O)NC1(CNC(=O)c2ccccc2[O-])CC1 ZINC001535131814 969549615 /nfs/dbraw/zinc/54/96/15/969549615.db2.gz LAOQMNKCSSGJJE-UHFFFAOYSA-N -1 3 290.363 1.817 10 0 CDAEHM Cn1cc(C=O)cc1C(=O)Nc1cc(F)ccc1[O-] ZINC001466630834 969981546 /nfs/dbraw/zinc/98/15/46/969981546.db2.gz BEPNTCHPUZEBAR-UHFFFAOYSA-N -1 3 262.240 1.935 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NN2CCCCC2)c1 ZINC001519841920 970117128 /nfs/dbraw/zinc/11/71/28/970117128.db2.gz QKZMRMKAZQXYHD-UHFFFAOYSA-N -1 3 289.335 1.647 10 0 CDAEHM O=Cc1c[nH]c(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1 ZINC001468311174 970150654 /nfs/dbraw/zinc/15/06/54/970150654.db2.gz PYRLQRVETYNDIM-UHFFFAOYSA-N -1 3 270.248 1.661 10 0 CDAEHM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(CN(C)C)o1 ZINC001468547193 970174107 /nfs/dbraw/zinc/17/41/07/970174107.db2.gz UTUMZRRNPUGFEO-UHFFFAOYSA-N -1 3 264.285 1.331 10 0 CDAEHM COc1nn(C)cc1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001468600028 970178428 /nfs/dbraw/zinc/17/84/28/970178428.db2.gz AKTNSNKQPBCQKI-UHFFFAOYSA-N -1 3 289.291 1.589 10 0 CDAEHM CCC/C=C/C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001520523925 970196412 /nfs/dbraw/zinc/19/64/12/970196412.db2.gz NCVYTSGOXNTZFG-SNAWJCMRSA-N -1 3 263.345 1.337 10 0 CDAEHM CCC/C=C/C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001520523925 970196417 /nfs/dbraw/zinc/19/64/17/970196417.db2.gz NCVYTSGOXNTZFG-SNAWJCMRSA-N -1 3 263.345 1.337 10 0 CDAEHM Cc1cccc(CCNC(=O)c2cnncc2[O-])c1 ZINC001546185448 970404651 /nfs/dbraw/zinc/40/46/51/970404651.db2.gz UQPIAHFMABCGMJ-UHFFFAOYSA-N -1 3 257.293 1.463 10 0 CDAEHM Cc1ccc(C)c(OC(=O)c2[nH]c(=O)[n-]c(=O)c2N)c1 ZINC001522269002 970417979 /nfs/dbraw/zinc/41/79/79/970417979.db2.gz APVIDXYXPSKBHM-UHFFFAOYSA-N -1 3 275.264 1.306 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)[C@H]1C[C@@]12CCOC2 ZINC001471810753 970488782 /nfs/dbraw/zinc/48/87/82/970488782.db2.gz BELMIVIRIXRDNB-IAQYHMDHSA-N -1 3 289.335 1.102 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CC[C@H]1CC(C)(C)CO1 ZINC001361770823 970512343 /nfs/dbraw/zinc/51/23/43/970512343.db2.gz FKZUEEKLHGDQMJ-NWDGAFQWSA-N -1 3 295.383 1.210 10 0 CDAEHM COC1CCC(CC(=O)NCCc2c(C)[n-][nH]c2=O)CC1 ZINC001417636357 973221434 /nfs/dbraw/zinc/22/14/34/973221434.db2.gz XLXOHZDUSGBVPJ-BPCQOVAHSA-N -1 3 295.383 1.210 10 0 CDAEHM CCCC(=O)NC1CC(CNC(=O)c2ccccc2[O-])C1 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C[C@@H](CNCC(F)(F)C(F)F)[N-]C(=O)C(F)F ZINC001732986232 1183220058 /nfs/dbraw/zinc/22/00/58/1183220058.db2.gz CLBIVIWJGHRSTL-BYPYZUCNSA-N -1 3 266.185 1.246 10 0 CDAEHM CC(C)(C)N1CCN(Cc2ccnc(C(=O)[O-])c2)CC1 ZINC000068763758 518713116 /nfs/dbraw/zinc/71/31/16/518713116.db2.gz LTHZCKKVZBLSOH-UHFFFAOYSA-N -1 3 277.368 1.696 10 0 CDAEHM CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000049560962 519337045 /nfs/dbraw/zinc/33/70/45/519337045.db2.gz COFVUZMSKBIRRQ-VXGBXAGGSA-N -1 3 287.404 1.371 10 0 CDAEHM CC(C)CN(CC(=O)[O-])C(=O)C[C@H](N)c1ccccc1 ZINC000062743153 519710206 /nfs/dbraw/zinc/71/02/06/519710206.db2.gz LAKFMZJLPMXRBB-ZDUSSCGKSA-N -1 3 278.352 1.646 10 0 CDAEHM CC(C)NC(=O)[C@@H](C)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925467 519713788 /nfs/dbraw/zinc/71/37/88/519713788.db2.gz QTEXCZXMQHSTNH-VXGBXAGGSA-N -1 3 270.373 1.619 10 0 CDAEHM CC(C)C[C@@H](CN(C)C)NC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000049560961 519775325 /nfs/dbraw/zinc/77/53/25/519775325.db2.gz 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/nfs/dbraw/zinc/98/64/99/520986499.db2.gz HGNBKSCIZXABBV-LBPRGKRZSA-N -1 3 287.404 1.469 10 0 CDAEHM CCN(CCC(=O)[O-])C(=O)N[C@H](C)CN1CCCCC1 ZINC000049502816 520986556 /nfs/dbraw/zinc/98/65/56/520986556.db2.gz LHSWKYRJPGFKDH-GFCCVEGCSA-N -1 3 285.388 1.367 10 0 CDAEHM CCC[C@]1(C(=O)[O-])CCN(CC(=O)N(CC)CC)C1 ZINC000062937995 521303976 /nfs/dbraw/zinc/30/39/76/521303976.db2.gz QNWNGCMIHLWTHM-AWEZNQCLSA-N -1 3 270.373 1.432 10 0 CDAEHM CCN(Cc1ccc(C(N)=O)cc1F)C[C@H](C)C(=O)[O-] ZINC000061220485 521306286 /nfs/dbraw/zinc/30/62/86/521306286.db2.gz NSSROMPDFUTDNF-VIFPVBQESA-N -1 3 282.315 1.467 10 0 CDAEHM CCCN(Cc1n[n-]sc1=NN)CC(F)(F)F ZINC000051144752 521696845 /nfs/dbraw/zinc/69/68/45/521696845.db2.gz WFDZBKDPDUQFQE-UHFFFAOYSA-N -1 3 269.296 1.598 10 0 CDAEHM CCc1nnc(SCC(=O)[O-])n1CCN1CCCCC1 ZINC000049575341 522782589 /nfs/dbraw/zinc/78/25/89/522782589.db2.gz PQRMVCKHAWQBNU-UHFFFAOYSA-N -1 3 298.412 1.503 10 0 CDAEHM CCc1noc(C)c1[N-]C(=O)c1ccc(C(=O)OC)nc1 ZINC000339312262 522875204 /nfs/dbraw/zinc/87/52/04/522875204.db2.gz DAHBGGTVINZAMC-UHFFFAOYSA-N -1 3 289.291 1.979 10 0 CDAEHM CO[C@@H](C)c1nc(=NCCN2CCCC[C@H]2C)s[n-]1 ZINC000337913542 523456932 /nfs/dbraw/zinc/45/69/32/523456932.db2.gz LOYQBIMIIKUQAI-MNOVXSKESA-N -1 3 284.429 1.954 10 0 CDAEHM CO[C@@H](C)c1nsc(=NCCN2CCCC[C@H]2C)[n-]1 ZINC000337913542 523456942 /nfs/dbraw/zinc/45/69/42/523456942.db2.gz LOYQBIMIIKUQAI-MNOVXSKESA-N -1 3 284.429 1.954 10 0 CDAEHM COc1ccc(CN[C@@]2(C(=O)[O-])CCOC2)cc1OC ZINC000340679841 524087520 /nfs/dbraw/zinc/08/75/20/524087520.db2.gz VXIHBWKUUKAYRX-AWEZNQCLSA-N -1 3 281.308 1.037 10 0 CDAEHM C[C@@H](CN1CCCC1)NC(=O)N(CC(=O)[O-])C1CCCC1 ZINC000049187436 524589360 /nfs/dbraw/zinc/58/93/60/524589360.db2.gz PCDMMWADFTXWNK-LBPRGKRZSA-N -1 3 297.399 1.510 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1ccc[nH]c1=NN)c1ccsc1 ZINC000061368597 525580864 /nfs/dbraw/zinc/58/08/64/525580864.db2.gz DAVZHTRIZHDMIO-MRVPVSSYSA-N -1 3 298.393 1.468 10 0 CDAEHM O=C([O-])c1ncccc1CN1CCN(CC2CC2)CC1 ZINC000062756279 526408329 /nfs/dbraw/zinc/40/83/29/526408329.db2.gz QRNDKFJEAPXOTG-UHFFFAOYSA-N -1 3 275.352 1.307 10 0 CDAEHM COC[C@@H](C)CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427062889 536495321 /nfs/dbraw/zinc/49/53/21/536495321.db2.gz BJYLJXGLSNXOKY-JTQLQIEISA-N -1 3 289.339 1.402 10 0 CDAEHM COC[C@@H](C)CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427062889 536495330 /nfs/dbraw/zinc/49/53/30/536495330.db2.gz BJYLJXGLSNXOKY-JTQLQIEISA-N -1 3 289.339 1.402 10 0 CDAEHM Cn1c(=O)[n-]nc1SC[C@](C)(O)c1ccccc1 ZINC000061592998 527020976 /nfs/dbraw/zinc/02/09/76/527020976.db2.gz LRYNUGKWSCKDDZ-LBPRGKRZSA-N -1 3 265.338 1.108 10 0 CDAEHM NC(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)n[n-]2)cn1 ZINC000339227365 527064130 /nfs/dbraw/zinc/06/41/30/527064130.db2.gz VPIOFJRYYMAMGQ-UHFFFAOYSA-N -1 3 299.212 1.175 10 0 CDAEHM NC(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)[n-]n2)cn1 ZINC000339227365 527064136 /nfs/dbraw/zinc/06/41/36/527064136.db2.gz VPIOFJRYYMAMGQ-UHFFFAOYSA-N -1 3 299.212 1.175 10 0 CDAEHM N[C@](Cn1ncc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000050528049 527422456 /nfs/dbraw/zinc/42/24/56/527422456.db2.gz YDCXNEGWMZQAAK-INIZCTEOSA-N -1 3 281.315 1.975 10 0 CDAEHM Nc1nnc(C(=O)Nc2ccccc2OC(F)(F)F)[n-]1 ZINC000055164126 527546918 /nfs/dbraw/zinc/54/69/18/527546918.db2.gz SPVLULZQPZTIGQ-UHFFFAOYSA-N -1 3 287.201 1.538 10 0 CDAEHM Nc1n[n-]c(C(=O)Nc2ccccc2OC(F)(F)F)n1 ZINC000055164126 527546922 /nfs/dbraw/zinc/54/69/22/527546922.db2.gz SPVLULZQPZTIGQ-UHFFFAOYSA-N -1 3 287.201 1.538 10 0 CDAEHM Nc1nc(C(=O)Nc2ccccc2OC(F)(F)F)n[n-]1 ZINC000055164126 527546928 /nfs/dbraw/zinc/54/69/28/527546928.db2.gz SPVLULZQPZTIGQ-UHFFFAOYSA-N -1 3 287.201 1.538 10 0 CDAEHM Nc1nc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000055186728 527547264 /nfs/dbraw/zinc/54/72/64/527547264.db2.gz ZDACTJBINFKTRL-UHFFFAOYSA-N -1 3 287.308 1.158 10 0 CDAEHM Nc1nc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000055186728 527547269 /nfs/dbraw/zinc/54/72/69/527547269.db2.gz ZDACTJBINFKTRL-UHFFFAOYSA-N -1 3 287.308 1.158 10 0 CDAEHM O=C([O-])C1(CN2Cc3ccccc3C2)CCOCC1 ZINC000052198661 527554849 /nfs/dbraw/zinc/55/48/49/527554849.db2.gz SYMYIKSQTPANSX-UHFFFAOYSA-N -1 3 261.321 1.884 10 0 CDAEHM CC(C)[C@H](CNC(=O)c1cccc([O-])c1)N1CCOCC1 ZINC000181830371 535015442 /nfs/dbraw/zinc/01/54/42/535015442.db2.gz ZBEVDPJCRAZMLP-HNNXBMFYSA-N -1 3 292.379 1.479 10 0 CDAEHM CCOc1nc2ccc(C(=O)Nc3cn(C)nn3)cc2[n-]1 ZINC000428530709 535571493 /nfs/dbraw/zinc/57/14/93/535571493.db2.gz DJNYBBJGZMJFON-UHFFFAOYSA-N -1 3 286.295 1.342 10 0 CDAEHM CCOc1nc2cc(C(=O)Nc3cn(C)nn3)ccc2[n-]1 ZINC000428530709 535571498 /nfs/dbraw/zinc/57/14/98/535571498.db2.gz DJNYBBJGZMJFON-UHFFFAOYSA-N -1 3 286.295 1.342 10 0 CDAEHM COc1ccc(NC(=O)c2cccc3ncnn32)c([O-])c1 ZINC000442707485 538225313 /nfs/dbraw/zinc/22/53/13/538225313.db2.gz VZHSGKREVLFBOU-UHFFFAOYSA-N -1 3 284.275 1.696 10 0 CDAEHM CC(C)(C)n1nnc(C(=O)[N-]c2cc(F)cc(F)c2)n1 ZINC000665761110 538414726 /nfs/dbraw/zinc/41/47/26/538414726.db2.gz XJMJPIWPTCNLTM-UHFFFAOYSA-N -1 3 281.266 1.959 10 0 CDAEHM O=C(NCCCNC(=O)C1(CF)CC1)c1ccccc1[O-] ZINC001686894390 1174797823 /nfs/dbraw/zinc/79/78/23/1174797823.db2.gz QBPRXJRWCJVSIN-UHFFFAOYSA-N -1 3 294.326 1.378 10 0 CDAEHM COc1cccc(C(=O)NC[C@@H](OC)C(F)(F)F)c1[O-] ZINC000733239701 575107720 /nfs/dbraw/zinc/10/77/20/575107720.db2.gz CQFWGVCDDOLAAE-SECBINFHSA-N -1 3 293.241 1.708 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2C(=O)/C=C/c2ccco2)nc1=N ZINC000773388559 575806525 /nfs/dbraw/zinc/80/65/25/575806525.db2.gz OIKASWVUYKYXPP-XUIVZRPNSA-N -1 3 287.323 1.198 10 0 CDAEHM O=C(C[N-]C(=O)C(F)(F)c1ccccc1F)NC1CC1 ZINC000765545290 576037099 /nfs/dbraw/zinc/03/70/99/576037099.db2.gz UFEYMMWJWVIXJJ-UHFFFAOYSA-N -1 3 286.253 1.312 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCCOC(C)(C)C2)n1 ZINC000761875426 576601961 /nfs/dbraw/zinc/60/19/61/576601961.db2.gz KPVSBHSALBCXKU-UHFFFAOYSA-N -1 3 251.330 1.492 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]Cc2c(C)cccc2F)c1 ZINC000747281772 576865264 /nfs/dbraw/zinc/86/52/64/576865264.db2.gz KMJSJYAQYICUBE-UHFFFAOYSA-N -1 3 297.355 1.829 10 0 CDAEHM COC(=O)/C(C)=C/COC(=O)c1cncc([O-])c1 ZINC000748189938 576900291 /nfs/dbraw/zinc/90/02/91/576900291.db2.gz MVGOVRBUQAMSOW-FPYGCLRLSA-N -1 3 251.238 1.063 10 0 CDAEHM Cn1ccc(COC(=O)c2ccc(F)cc2[O-])n1 ZINC000754849590 576918886 /nfs/dbraw/zinc/91/88/86/576918886.db2.gz BRYYUWWHVCULBY-UHFFFAOYSA-N -1 3 250.229 1.622 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCS[C@@H](C)CC2)n1 ZINC000755199138 576935186 /nfs/dbraw/zinc/93/51/86/576935186.db2.gz JQNZEINEZIREMW-JTQLQIEISA-N -1 3 253.371 1.818 10 0 CDAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)OCc1ccc2ccccc2c1 ZINC000751580198 577052469 /nfs/dbraw/zinc/05/24/69/577052469.db2.gz UGCSRBKSXFQOBC-ZDUSSCGKSA-N -1 3 298.298 1.481 10 0 CDAEHM COC(=O)CCCCCNC(=O)c1ccc(N)cc1[O-] ZINC000751752222 577063689 /nfs/dbraw/zinc/06/36/89/577063689.db2.gz BXAMQTVWYAYFHU-UHFFFAOYSA-N -1 3 280.324 1.438 10 0 CDAEHM O=C([N-]CCO[C@@H]1CC1(F)F)C(F)(F)c1nccs1 ZINC000855609290 617593861 /nfs/dbraw/zinc/59/38/61/617593861.db2.gz XKKMBJFZROACEU-ZCFIWIBFSA-N -1 3 298.261 1.775 10 0 CDAEHM CCSc1cccc(CN2CC[C@](O)(C(=O)[O-])C2)c1 ZINC000901900144 618350835 /nfs/dbraw/zinc/35/08/35/618350835.db2.gz FLGDMBPTJLWGCT-CQSZACIVSA-N -1 3 281.377 1.820 10 0 CDAEHM CCCN1CC[C@H](NC(=O)c2coc(/C=C/C(=O)[O-])c2)C1 ZINC000902071947 618537054 /nfs/dbraw/zinc/53/70/54/618537054.db2.gz KKRNYEKDEYUXHI-PCAWENJQSA-N -1 3 292.335 1.592 10 0 CDAEHM C[C@H]1[C@@H](NC(=O)c2s[n-]c(=O)c2Cl)CCN1C ZINC000928433165 619059136 /nfs/dbraw/zinc/05/91/36/619059136.db2.gz CVRMNLVDCVPKEW-WDSKDSINSA-N -1 3 275.761 1.325 10 0 CDAEHM COC[C@@H](NC(=O)c1ccccc1[O-])[C@@H]1CCCOC1 ZINC000894851977 619097452 /nfs/dbraw/zinc/09/74/52/619097452.db2.gz NPHJFTVLZSNVNO-DGCLKSJQSA-N -1 3 279.336 1.564 10 0 CDAEHM CC1(C)CO[C@@H](CC(=O)Nc2ncccc2[O-])C1 ZINC000895486529 619691271 /nfs/dbraw/zinc/69/12/71/619691271.db2.gz FITGMWNIQIKDEB-VIFPVBQESA-N -1 3 250.298 1.931 10 0 CDAEHM O=C(Nc1n[n-]c(SCCO)n1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000896638347 620178795 /nfs/dbraw/zinc/17/87/95/620178795.db2.gz AUUFNHSECZDZBG-LPEHRKFASA-N -1 3 296.396 1.654 10 0 CDAEHM CO[C@@H]1COCC[C@@H]1CC(=O)[N-]OCc1ccccn1 ZINC000909544898 620277898 /nfs/dbraw/zinc/27/78/98/620277898.db2.gz SYRPPRBFMBBYMO-DGCLKSJQSA-N -1 3 280.324 1.071 10 0 CDAEHM Cc1ocnc1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898210187 621365144 /nfs/dbraw/zinc/36/51/44/621365144.db2.gz CCWXVEXWVBFSBO-QMMMGPOBSA-N -1 3 262.269 1.041 10 0 CDAEHM Cc1ccc(C(=O)C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC000898212043 621366499 /nfs/dbraw/zinc/36/64/99/621366499.db2.gz BEJWDMBVASJXIL-GFCCVEGCSA-N -1 3 299.330 1.623 10 0 CDAEHM O=C([C@H]1CC12CCC2)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216854 621369434 /nfs/dbraw/zinc/36/94/34/621369434.db2.gz XHOKZAQWDZWGOD-NXEZZACHSA-N -1 3 261.325 1.621 10 0 CDAEHM O=C(C[C@@H]1CCCCO1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216874 621369803 /nfs/dbraw/zinc/36/98/03/621369803.db2.gz XQJOBUNUTZBUSO-QWRGUYRKSA-N -1 3 279.340 1.390 10 0 CDAEHM CCCn1cc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cn1 ZINC000898217726 621370419 /nfs/dbraw/zinc/37/04/19/621370419.db2.gz QKZHOQFLDSIWTK-JTQLQIEISA-N -1 3 289.339 1.352 10 0 CDAEHM CCOC1CC(CC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC000898220547 621372757 /nfs/dbraw/zinc/37/27/57/621372757.db2.gz DNSNKSUKLHIYKL-CXQJBGSLSA-N -1 3 293.367 1.636 10 0 CDAEHM O=C(c1cncc2[nH]ccc21)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898225492 621413120 /nfs/dbraw/zinc/41/31/20/621413120.db2.gz GENIRJBVEIVHRJ-VIFPVBQESA-N -1 3 297.318 1.621 10 0 CDAEHM COc1cccnc1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898226416 621414827 /nfs/dbraw/zinc/41/48/27/621414827.db2.gz LUJGLVAZKZVQPY-VIFPVBQESA-N -1 3 288.307 1.149 10 0 CDAEHM CSCc1nnc(CNC(=O)c2ccc(F)cc2[O-])[nH]1 ZINC000899473032 622271819 /nfs/dbraw/zinc/27/18/19/622271819.db2.gz HWTSPHYGIOGZGL-UHFFFAOYSA-N -1 3 296.327 1.442 10 0 CDAEHM COc1ccc([C@@H](NC2CSC2)C(=O)[O-])cc1 ZINC000901646969 624389087 /nfs/dbraw/zinc/38/90/87/624389087.db2.gz IARWZUUBEXWMDZ-LLVKDONJSA-N -1 3 253.323 1.526 10 0 CDAEHM CC[C@H](C)[C@H](C(=O)[O-])N1CCO[C@](C)(C(F)F)C1 ZINC000903606487 626032660 /nfs/dbraw/zinc/03/26/60/626032660.db2.gz JJJYZVSFPSOXJW-SBMIAAHKSA-N -1 3 265.300 1.842 10 0 CDAEHM CCC(C)(C)C(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000907495865 627689629 /nfs/dbraw/zinc/68/96/29/627689629.db2.gz INKATHHIZYMARW-UHFFFAOYSA-N -1 3 292.261 1.445 10 0 CDAEHM CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000907496102 627690420 /nfs/dbraw/zinc/69/04/20/627690420.db2.gz KBGJHXLDUPKWHI-LPBLVHEISA-N -1 3 292.261 1.111 10 0 CDAEHM COc1cccc([O-])c1C(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC000907661326 627770540 /nfs/dbraw/zinc/77/05/40/627770540.db2.gz GCTDZDKFTUHAPL-QMMMGPOBSA-N -1 3 287.262 1.243 10 0 CDAEHM O=C(NC1(C(F)F)CC1)c1cnc(C2CC2)[n-]c1=O ZINC000908024475 627980818 /nfs/dbraw/zinc/98/08/18/627980818.db2.gz ZFDQMVLRFCAATP-UHFFFAOYSA-N -1 3 269.251 1.587 10 0 CDAEHM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC[C@H]1C(F)F ZINC000908504516 628247757 /nfs/dbraw/zinc/24/77/57/628247757.db2.gz CPLYJZIJQPHYAQ-QMMMGPOBSA-N -1 3 269.251 1.539 10 0 CDAEHM CSCCCC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC000910041915 628837868 /nfs/dbraw/zinc/83/78/68/628837868.db2.gz YBUNRPYUIUCQIG-UHFFFAOYSA-N -1 3 291.380 1.872 10 0 CDAEHM CSCCCC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC000910041915 628837870 /nfs/dbraw/zinc/83/78/70/628837870.db2.gz YBUNRPYUIUCQIG-UHFFFAOYSA-N -1 3 291.380 1.872 10 0 CDAEHM COc1cccc([O-])c1C(=O)NC[C@H](OC)[C@H]1CCOC1 ZINC000912287736 629895035 /nfs/dbraw/zinc/89/50/35/629895035.db2.gz AFGDYFOTRALDDJ-GWCFXTLKSA-N -1 3 295.335 1.182 10 0 CDAEHM C[C@]1(NC(=O)c2c([O-])cccc2F)CN2CCC1CC2 ZINC000912380038 629952795 /nfs/dbraw/zinc/95/27/95/629952795.db2.gz YXSFJPLERZMAJF-HNNXBMFYSA-N -1 3 278.327 1.745 10 0 CDAEHM C/C=C\[C@H](O)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000913695572 630735690 /nfs/dbraw/zinc/73/56/90/630735690.db2.gz JAPGJXQBHVNTSB-MORRKMRCSA-N -1 3 277.324 1.003 10 0 CDAEHM O=c1[nH]cc(S(=O)(=O)[N-]CC[C@@H]2CC[C@@H]3C[C@@H]32)s1 ZINC000920876673 632852897 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747362285 /nfs/dbraw/zinc/36/22/85/747362285.db2.gz UUHIPSRARPGDED-UHFFFAOYSA-N -1 3 285.263 1.520 10 0 CDAEHM Cc1ccccc1-c1nc(COC(=O)c2c[n-]nn2)no1 ZINC000805607330 747362290 /nfs/dbraw/zinc/36/22/90/747362290.db2.gz UUHIPSRARPGDED-UHFFFAOYSA-N -1 3 285.263 1.520 10 0 CDAEHM Cn1ccc(CO[N-]C(=O)CCCc2ccccc2)n1 ZINC000775333358 747834516 /nfs/dbraw/zinc/83/45/16/747834516.db2.gz NYDKFVLWDZDBDM-UHFFFAOYSA-N -1 3 273.336 1.991 10 0 CDAEHM Cc1nc(NCc2nc(CN(C)C)cs2)cc(=O)[n-]1 ZINC000722378286 747895102 /nfs/dbraw/zinc/89/51/02/747895102.db2.gz MWHLCQSQLJHLBX-UHFFFAOYSA-N -1 3 279.369 1.621 10 0 CDAEHM COC(=O)C(=O)[C@H](C)OC(=O)c1cc2occc2[n-]1 ZINC000786029584 747931519 /nfs/dbraw/zinc/93/15/19/747931519.db2.gz OUFUSTKRCBYMNU-LURJTMIESA-N -1 3 265.221 1.048 10 0 CDAEHM CCc1ccc(C(=O)NCc2cnn(C)n2)c([O-])c1 ZINC000805214642 747968122 /nfs/dbraw/zinc/96/81/22/747968122.db2.gz MWZXHLPSDBSPOI-UHFFFAOYSA-N -1 3 260.297 1.013 10 0 CDAEHM O=C(Nc1cc(Cl)[nH]n1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000847601481 748018130 /nfs/dbraw/zinc/01/81/30/748018130.db2.gz UVBNOANTQHORPG-UHFFFAOYSA-N -1 3 279.687 1.688 10 0 CDAEHM O=C([N-][C@H]1COCCC1=O)C(F)(F)c1ccc(F)cc1 ZINC000862932301 748043933 /nfs/dbraw/zinc/04/39/33/748043933.db2.gz MPAAQDPAZQBOHD-JTQLQIEISA-N -1 3 287.237 1.392 10 0 CDAEHM Cn1nc(Br)cc1CNCc1ncccc1[O-] ZINC000793259507 748211111 /nfs/dbraw/zinc/21/11/11/748211111.db2.gz UEBCFWKVHXOUNP-UHFFFAOYSA-N -1 3 297.156 1.573 10 0 CDAEHM CCc1cccc(C(=O)NCC(=O)N(CC)OC)c1[O-] ZINC000844069656 748563693 /nfs/dbraw/zinc/56/36/93/748563693.db2.gz YFJDTHPRJNFXEQ-UHFFFAOYSA-N -1 3 280.324 1.094 10 0 CDAEHM CC(=O)[N-]O[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000180807486 748593764 /nfs/dbraw/zinc/59/37/64/748593764.db2.gz HLLUTZMUWAWUFT-GFCCVEGCSA-N -1 3 278.352 1.880 10 0 CDAEHM Cc1cc(NC([O-])=NO[C@H]2CCCCO2)c(N(C)C)nn1 ZINC000824530124 748630841 /nfs/dbraw/zinc/63/08/41/748630841.db2.gz UPDBOOARMOWFLA-NSHDSACASA-N -1 3 295.343 1.431 10 0 CDAEHM Cc1cc(NC(=O)[N-]O[C@H]2CCCCO2)c(N(C)C)nn1 ZINC000824530124 748630858 /nfs/dbraw/zinc/63/08/58/748630858.db2.gz UPDBOOARMOWFLA-NSHDSACASA-N -1 3 295.343 1.431 10 0 CDAEHM CCOCCO[N-]C(=O)C12CC(C(F)(F)F)(C1)C2 ZINC000787277726 748796508 /nfs/dbraw/zinc/79/65/08/748796508.db2.gz JDQHLDKHQBCIDF-UHFFFAOYSA-N -1 3 267.247 1.803 10 0 CDAEHM CCOC(=O)[C@](C)([N-]C(=O)C(F)F)c1cccnc1 ZINC000847043299 748852234 /nfs/dbraw/zinc/85/22/34/748852234.db2.gz VUNJPDPNGAJIET-GFCCVEGCSA-N -1 3 272.251 1.241 10 0 CDAEHM C[C@@H](CN(C)[C@@H]1CCNC1=O)C(=O)c1ccc([O-])cc1 ZINC000930105971 748871953 /nfs/dbraw/zinc/87/19/53/748871953.db2.gz SWVOXGGQFHLRAY-GXFFZTMASA-N -1 3 276.336 1.031 10 0 CDAEHM CCOCCCCCc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000867037410 748943655 /nfs/dbraw/zinc/94/36/55/748943655.db2.gz AQMMIUNJJRIWSY-UHFFFAOYSA-N -1 3 278.312 1.982 10 0 CDAEHM CCn1ncc(CNCc2ccc([O-])c(F)c2)n1 ZINC000838961025 748961254 /nfs/dbraw/zinc/96/12/54/748961254.db2.gz FKGOYMAFPABXCW-UHFFFAOYSA-N -1 3 250.277 1.433 10 0 CDAEHM O=C(c1nc(Cl)cs1)N1CCc2nc[n-]c(=O)c2C1 ZINC000788762323 749092346 /nfs/dbraw/zinc/09/23/46/749092346.db2.gz PYAOVZJXGJTLOV-UHFFFAOYSA-N -1 3 296.739 1.491 10 0 CDAEHM C[C@]1(CNC(=O)c2cnc(C3CC3)[n-]c2=O)CC1(F)F ZINC000864074335 749229566 /nfs/dbraw/zinc/22/95/66/749229566.db2.gz WWTLVIIMXFBYHD-GFCCVEGCSA-N -1 3 283.278 1.835 10 0 CDAEHM COC(OC)[C@@H](C)[N-]C(=O)C(F)(F)c1nccs1 ZINC000854464510 749233086 /nfs/dbraw/zinc/23/30/86/749233086.db2.gz PPRAJWPMNDAIAC-ZCFIWIBFSA-N -1 3 280.296 1.359 10 0 CDAEHM CC(=O)c1cccc(NC(=O)[C@@H](O)c2cnn(C)c2)c1[O-] ZINC001638109734 1166818595 /nfs/dbraw/zinc/81/85/95/1166818595.db2.gz RKVKLGOZDNOTDM-LBPRGKRZSA-N -1 3 289.291 1.000 10 0 CDAEHM Cc1occc1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001644268973 1167303533 /nfs/dbraw/zinc/30/35/33/1167303533.db2.gz SJDVQHUDWDCSEZ-UHFFFAOYSA-N -1 3 265.294 1.302 10 0 CDAEHM CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000388060900 1167384893 /nfs/dbraw/zinc/38/48/93/1167384893.db2.gz DGDAOLLGEDCASP-BXUZGUMPSA-N -1 3 268.357 1.217 10 0 CDAEHM COc1cc(F)c(CN[C@@H](CCF)C(=O)[O-])cc1OC ZINC001645908940 1167563231 /nfs/dbraw/zinc/56/32/31/1167563231.db2.gz GCCNGVFKEJGINP-JTQLQIEISA-N -1 3 289.278 1.745 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@@H](C)C(F)(F)F ZINC001417635681 894119462 /nfs/dbraw/zinc/11/94/62/894119462.db2.gz CWBVREKKQUMTBZ-SVRRBLITSA-N -1 3 279.262 1.203 10 0 CDAEHM O=C(CCF)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001647586812 1168891129 /nfs/dbraw/zinc/89/11/29/1168891129.db2.gz NHLTVTNOVUSXNN-MGCOHNPYSA-N -1 3 267.304 1.684 10 0 CDAEHM COc1nscc1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001363277661 904400670 /nfs/dbraw/zinc/40/06/70/904400670.db2.gz HCJYIGUFMLUFSW-UHFFFAOYSA-N -1 3 294.336 1.445 10 0 CDAEHM Cc1noc(C(C)C)c1NC(=O)c1cc(=O)[n-]cn1 ZINC001178274753 915322056 /nfs/dbraw/zinc/32/20/56/915322056.db2.gz ZCSMXVOPPYUHDC-UHFFFAOYSA-N -1 3 262.269 1.854 10 0 CDAEHM Cc1[nH]c(C(=O)Nc2ncccc2[O-])c(C)c1C=O ZINC001138165475 936484723 /nfs/dbraw/zinc/48/47/23/936484723.db2.gz QJLXRRPCCCGIGI-UHFFFAOYSA-N -1 3 259.265 1.797 10 0 CDAEHM O=C(N[C@H]1C=CCC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001183944152 918763827 /nfs/dbraw/zinc/76/38/27/918763827.db2.gz SGNBNZLRPJYSAU-VIFPVBQESA-N -1 3 256.261 1.019 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cnccc2C)c1 ZINC001141279238 936839751 /nfs/dbraw/zinc/83/97/51/936839751.db2.gz SDNMRMQEOSITIN-UHFFFAOYSA-N -1 3 299.330 1.984 10 0 CDAEHM CC(=O)c1ccc(C(=O)Nc2ccc[n+]([O-])c2)cc1[O-] ZINC001149132803 937158563 /nfs/dbraw/zinc/15/85/63/937158563.db2.gz QEFYJNDGZHDLIX-UHFFFAOYSA-N -1 3 272.260 1.481 10 0 CDAEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C=Cc1cccc(O)c1)C2 ZINC001168938155 927548347 /nfs/dbraw/zinc/54/83/47/927548347.db2.gz BLLJFNUXQYJBBM-WAYWQWQTSA-N -1 3 297.314 1.752 10 0 CDAEHM CCCCSCC(=O)NCCc1c(C)[n-][nH]c1=O ZINC001144232560 931713403 /nfs/dbraw/zinc/71/34/03/931713403.db2.gz ATQYZDPLZKMKQM-JTQLQIEISA-N -1 3 271.386 1.148 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1cc2ccccc2o1 ZINC001411762473 932002738 /nfs/dbraw/zinc/00/27/38/932002738.db2.gz FSFKDALTSXCVCT-CYBMUJFWSA-N -1 3 299.330 1.604 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@]1(C)CCc2ccccc21 ZINC001411766693 932006433 /nfs/dbraw/zinc/00/64/33/932006433.db2.gz ORTDSWYAWVPUKF-CXAGYDPISA-N -1 3 299.374 1.519 10 0 CDAEHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC001412209017 932326147 /nfs/dbraw/zinc/32/61/47/932326147.db2.gz LPWVSIKNIYBADV-MRVWCRGKSA-N -1 3 299.334 1.154 10 0 CDAEHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC001412209017 932326155 /nfs/dbraw/zinc/32/61/55/932326155.db2.gz LPWVSIKNIYBADV-MRVWCRGKSA-N -1 3 299.334 1.154 10 0 CDAEHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001412622411 932566208 /nfs/dbraw/zinc/56/62/08/932566208.db2.gz JVKIWJBNIGVFIA-BDAKNGLRSA-N -1 3 295.289 1.787 10 0 CDAEHM O=C([O-])[C@H]1C=C[C@H](NCc2ccnn2-c2ccccn2)C1 ZINC001119549065 937731330 /nfs/dbraw/zinc/73/13/30/937731330.db2.gz DJGGXWIJBOTDRR-RYUDHWBXSA-N -1 3 284.319 1.386 10 0 CDAEHM Cc1cnc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cn1 ZINC001413352011 935995319 /nfs/dbraw/zinc/99/53/19/935995319.db2.gz CPBGGKOCGBSCJF-UHFFFAOYSA-N -1 3 299.334 1.478 10 0 CDAEHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccnc1F)C1CC1 ZINC000401804141 940880632 /nfs/dbraw/zinc/88/06/32/940880632.db2.gz AVQBNYOBFUHUPC-LLVKDONJSA-N -1 3 272.345 1.934 10 0 CDAEHM O=S(=O)([N-]CC1(C2CC2)CC1)c1cccnc1F ZINC000401871456 940884300 /nfs/dbraw/zinc/88/43/00/940884300.db2.gz YUELLEMFVYPLHU-UHFFFAOYSA-N -1 3 270.329 1.689 10 0 CDAEHM COc1cncc(CN2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])c1 ZINC000721202862 942139018 /nfs/dbraw/zinc/13/90/18/942139018.db2.gz AECPJTMLPVJQMT-XQQFMLRXSA-N -1 3 262.309 1.243 10 0 CDAEHM CNc1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)cc1F ZINC001362124478 970917393 /nfs/dbraw/zinc/91/73/93/970917393.db2.gz MDYRJECZWHISIH-SNVBAGLBSA-N -1 3 292.314 1.109 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(C)c(F)c1F ZINC001362127569 970920637 /nfs/dbraw/zinc/92/06/37/970920637.db2.gz WHFHGRFJAICDRM-VIFPVBQESA-N -1 3 295.289 1.515 10 0 CDAEHM CC(=O)NCc1cccc(C(=O)Nc2ncccc2[O-])c1 ZINC001362339454 971169858 /nfs/dbraw/zinc/16/98/58/971169858.db2.gz YGUZMPQQMHLWHX-UHFFFAOYSA-N -1 3 285.303 1.676 10 0 CDAEHM CC[C@H](N)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001261579559 946181373 /nfs/dbraw/zinc/18/13/73/946181373.db2.gz QHGCTFYWOHZTGC-SDDRHHMPSA-N -1 3 262.309 1.153 10 0 CDAEHM COc1nnc(NC(=O)c2cnc(C(C)C)nc2C)[n-]1 ZINC001362598145 971442870 /nfs/dbraw/zinc/44/28/70/971442870.db2.gz NZFXXLIHILKHBC-UHFFFAOYSA-N -1 3 276.300 1.287 10 0 CDAEHM COc1nc(NC(=O)c2cnc(C(C)C)nc2C)n[n-]1 ZINC001362598145 971442872 /nfs/dbraw/zinc/44/28/72/971442872.db2.gz NZFXXLIHILKHBC-UHFFFAOYSA-N -1 3 276.300 1.287 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cnc(C(C)C)nc2C)n1 ZINC001362598145 971442877 /nfs/dbraw/zinc/44/28/77/971442877.db2.gz NZFXXLIHILKHBC-UHFFFAOYSA-N -1 3 276.300 1.287 10 0 CDAEHM CC(=O)c1ccc(C(=O)N[C@@H](C)c2cnccn2)cc1[O-] ZINC001362609732 971453072 /nfs/dbraw/zinc/45/30/72/971453072.db2.gz DUQQWPDZRHSJEX-VIFPVBQESA-N -1 3 285.303 1.876 10 0 CDAEHM 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CCc1cc(C(=O)N[C@@H]2CCC(=O)N(C)C2)ccc1[O-] ZINC000292029513 198139075 /nfs/dbraw/zinc/13/90/75/198139075.db2.gz WOMDIMMXWDNLDC-GFCCVEGCSA-N -1 3 276.336 1.305 10 0 CDAEHM CCOCc1nc([C@@H](C)[N-]C(=O)C(C)(Cl)Cl)no1 ZINC000292030470 198139748 /nfs/dbraw/zinc/13/97/48/198139748.db2.gz XPSLRWOBLZUPFT-ZCFIWIBFSA-N -1 3 296.154 1.977 10 0 CDAEHM CC1(C)CN(C(=O)c2ccccc2[O-])CCS1(=O)=O ZINC000155499139 188210118 /nfs/dbraw/zinc/21/01/18/188210118.db2.gz PKWWWIABBPSNDH-UHFFFAOYSA-N -1 3 283.349 1.041 10 0 CDAEHM CSc1nnc(NC(=O)c2nnn(C(C)C)c2C)[n-]1 ZINC000292569516 198336214 /nfs/dbraw/zinc/33/62/14/198336214.db2.gz CMQKWPOUFNGYQT-UHFFFAOYSA-N -1 3 281.345 1.260 10 0 CDAEHM CSc1n[n-]c(NC(=O)c2nnn(C(C)C)c2C)n1 ZINC000292569516 198336215 /nfs/dbraw/zinc/33/62/15/198336215.db2.gz CMQKWPOUFNGYQT-UHFFFAOYSA-N -1 3 281.345 1.260 10 0 CDAEHM COc1nnc(NC(=O)CCCOc2ccccc2)[n-]1 ZINC000158198069 188363421 /nfs/dbraw/zinc/36/34/21/188363421.db2.gz ANSWGWPNUCGZBZ-UHFFFAOYSA-N -1 3 276.296 1.611 10 0 CDAEHM COc1nc(NC(=O)CCCOc2ccccc2)n[n-]1 ZINC000158198069 188363422 /nfs/dbraw/zinc/36/34/22/188363422.db2.gz ANSWGWPNUCGZBZ-UHFFFAOYSA-N -1 3 276.296 1.611 10 0 CDAEHM COc1n[n-]c(NC(=O)CCCOc2ccccc2)n1 ZINC000158198069 188363424 /nfs/dbraw/zinc/36/34/24/188363424.db2.gz ANSWGWPNUCGZBZ-UHFFFAOYSA-N -1 3 276.296 1.611 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCC(F)(F)[C@@H](CO)C1 ZINC000293049111 198508393 /nfs/dbraw/zinc/50/83/93/198508393.db2.gz FQMBAGZEFDAUDK-SNVBAGLBSA-N -1 3 271.263 1.482 10 0 CDAEHM CC1(C)[C@H](O)CCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000336299385 363320012 /nfs/dbraw/zinc/32/00/12/363320012.db2.gz BSUPGVLMJDWSAD-GFCCVEGCSA-N -1 3 267.300 1.446 10 0 CDAEHM O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1cccc([O-])c1 ZINC000273020653 192022500 /nfs/dbraw/zinc/02/25/00/192022500.db2.gz RGZLNCSGQKXYBU-SNVBAGLBSA-N -1 3 274.320 1.133 10 0 CDAEHM Cc1ccccc1Cc1noc(CN2CC(=O)[N-]C2=O)n1 ZINC000273715426 192275350 /nfs/dbraw/zinc/27/53/50/192275350.db2.gz LPWGNRUUAPWQBC-UHFFFAOYSA-N -1 3 286.291 1.021 10 0 CDAEHM CCn1ccnc1-c1nn[n-]c1C(=O)OC(C)(C)C ZINC000725266401 538456580 /nfs/dbraw/zinc/45/65/80/538456580.db2.gz UPGTVBOJXGWFBG-UHFFFAOYSA-N -1 3 263.301 1.643 10 0 CDAEHM CCn1ccnc1-c1[n-]nnc1C(=O)OC(C)(C)C ZINC000725266401 538456583 /nfs/dbraw/zinc/45/65/83/538456583.db2.gz UPGTVBOJXGWFBG-UHFFFAOYSA-N -1 3 263.301 1.643 10 0 CDAEHM CCn1ccnc1-c1n[n-]nc1C(=O)OC(C)(C)C ZINC000725266401 538456584 /nfs/dbraw/zinc/45/65/84/538456584.db2.gz UPGTVBOJXGWFBG-UHFFFAOYSA-N -1 3 263.301 1.643 10 0 CDAEHM CC(C)(C)OC(=O)c1[n-]nnc1CC(F)(F)F ZINC000725266602 538456712 /nfs/dbraw/zinc/45/67/12/538456712.db2.gz TZVPVSWPCJGZFQ-UHFFFAOYSA-N -1 3 251.208 1.865 10 0 CDAEHM CC(C)(C)OC(=O)c1nn[n-]c1CC(F)(F)F ZINC000725266602 538456714 /nfs/dbraw/zinc/45/67/14/538456714.db2.gz TZVPVSWPCJGZFQ-UHFFFAOYSA-N -1 3 251.208 1.865 10 0 CDAEHM CC(C)(C)OC(=O)c1n[n-]nc1CC(F)(F)F ZINC000725266602 538456716 /nfs/dbraw/zinc/45/67/16/538456716.db2.gz TZVPVSWPCJGZFQ-UHFFFAOYSA-N -1 3 251.208 1.865 10 0 CDAEHM CCOc1cc2c(cc1OCC)[C@@H](C(=O)[O-])NCC2 ZINC000032098996 356774199 /nfs/dbraw/zinc/77/41/99/356774199.db2.gz RZKLNIVIEFSKHU-ZDUSSCGKSA-N -1 3 265.309 1.755 10 0 CDAEHM O=C(NC[C@H]1CCC[C@H]1O)c1cc(=O)c2ccccc2[n-]1 ZINC000089163063 357487368 /nfs/dbraw/zinc/48/73/68/357487368.db2.gz TUIJNANWVRPEKB-QMTHXVAHSA-N -1 3 286.331 1.419 10 0 CDAEHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2O)c1 ZINC000089166228 357488722 /nfs/dbraw/zinc/48/87/22/357488722.db2.gz KERBRSDBONNCLN-ZYHUDNBSSA-N -1 3 287.356 1.573 10 0 CDAEHM CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)[N-]O[C@H]1CCCCO1 ZINC000363940810 357522375 /nfs/dbraw/zinc/52/23/75/357522375.db2.gz VAYKTPHMEDWXCJ-UUIJZJDISA-N -1 3 298.383 1.093 10 0 CDAEHM C[C@H](C1=Cc2ccccc2S1=O)N([O-])C(N)=O ZINC000065749697 357550335 /nfs/dbraw/zinc/55/03/35/357550335.db2.gz KWEAXQJUQDQMNY-UFEDUZHUSA-N -1 3 252.295 1.307 10 0 endogenous,world CDAEHM CCC(C)(CC)NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1 ZINC000185659847 357564352 /nfs/dbraw/zinc/56/43/52/357564352.db2.gz ADURNERRUAYMEU-UHFFFAOYSA-N -1 3 299.396 1.298 10 0 CDAEHM O=C(c1ccc2c(c1[O-])CCCC2)N1CC(CO)C1 ZINC000186986341 357715359 /nfs/dbraw/zinc/71/53/59/357715359.db2.gz PRGCTEHCTRFMLQ-UHFFFAOYSA-N -1 3 261.321 1.335 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@H](O)C12CCC2 ZINC000628111380 357761920 /nfs/dbraw/zinc/76/19/20/357761920.db2.gz PWGANAAFQORPNX-NEPJUHHUSA-N -1 3 261.321 1.734 10 0 CDAEHM COc1nnc(NC(=O)c2c(F)ccc(C)c2F)[n-]1 ZINC000129531812 358287105 /nfs/dbraw/zinc/28/71/05/358287105.db2.gz DYHPFPRXBKKCBT-UHFFFAOYSA-N -1 3 268.223 1.652 10 0 CDAEHM COc1n[n-]c(NC(=O)c2c(F)ccc(C)c2F)n1 ZINC000129531812 358287108 /nfs/dbraw/zinc/28/71/08/358287108.db2.gz DYHPFPRXBKKCBT-UHFFFAOYSA-N -1 3 268.223 1.652 10 0 CDAEHM COc1nc(NC(=O)c2c(F)ccc(C)c2F)n[n-]1 ZINC000129531812 358287112 /nfs/dbraw/zinc/28/71/12/358287112.db2.gz DYHPFPRXBKKCBT-UHFFFAOYSA-N -1 3 268.223 1.652 10 0 CDAEHM COc1nnc(NC(=O)CCc2cccc(N(C)C)c2)[n-]1 ZINC000194538005 358377999 /nfs/dbraw/zinc/37/79/99/358377999.db2.gz PDQZIOFWUKIZOG-UHFFFAOYSA-N -1 3 289.339 1.451 10 0 CDAEHM COc1nc(NC(=O)CCc2cccc(N(C)C)c2)n[n-]1 ZINC000194538005 358378000 /nfs/dbraw/zinc/37/80/00/358378000.db2.gz PDQZIOFWUKIZOG-UHFFFAOYSA-N -1 3 289.339 1.451 10 0 CDAEHM COc1n[n-]c(NC(=O)CCc2cccc(N(C)C)c2)n1 ZINC000194538005 358378001 /nfs/dbraw/zinc/37/80/01/358378001.db2.gz PDQZIOFWUKIZOG-UHFFFAOYSA-N -1 3 289.339 1.451 10 0 CDAEHM C[C@@H]1C[C@H](N=c2[n-]c(Br)cs2)CO1 ZINC000402021931 358386587 /nfs/dbraw/zinc/38/65/87/358386587.db2.gz FOKHLSORRNYWBP-RITPCOANSA-N -1 3 263.160 1.917 10 0 CDAEHM Cc1ccc([O-])c(CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)n1 ZINC000093559475 358616516 /nfs/dbraw/zinc/61/65/16/358616516.db2.gz QHOASLOLISMRIX-QWRGUYRKSA-N -1 3 284.381 1.103 10 0 CDAEHM CNC(=O)CC1CCN(Cc2nc(C)ccc2[O-])CC1 ZINC000093587875 358617085 /nfs/dbraw/zinc/61/70/85/358617085.db2.gz ILARHGBONXFOIA-UHFFFAOYSA-N -1 3 277.368 1.444 10 0 CDAEHM COc1nn(C)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000356702098 366495069 /nfs/dbraw/zinc/49/50/69/366495069.db2.gz PPOOONDEXVTQAN-UHFFFAOYSA-N -1 3 298.302 1.523 10 0 CDAEHM COc1nn(C)cc1NC(=O)c1cnc2ccccc2c1[O-] ZINC000356702098 366495073 /nfs/dbraw/zinc/49/50/73/366495073.db2.gz PPOOONDEXVTQAN-UHFFFAOYSA-N -1 3 298.302 1.523 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1ccnn1CC)C(F)(F)F ZINC000345730380 358850409 /nfs/dbraw/zinc/85/04/09/358850409.db2.gz ZDSTXBXMDPOQHL-ZETCQYMHSA-N -1 3 285.291 1.522 10 0 CDAEHM Cn1cc(C[C@H](O)C(=O)Nc2ccc(Cl)cc2[O-])cn1 ZINC000345785065 358886719 /nfs/dbraw/zinc/88/67/19/358886719.db2.gz MMABJBUMOOENLV-LBPRGKRZSA-N -1 3 295.726 1.321 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c1 ZINC000042439089 358945047 /nfs/dbraw/zinc/94/50/47/358945047.db2.gz ZBASOEKSCDQZCC-QWRGUYRKSA-N -1 3 276.336 1.427 10 0 CDAEHM O=C([O-])[C@@]12CCC[C@H]1CN(CC(=O)N1CCCCCC1)C2 ZINC000262164516 359144567 /nfs/dbraw/zinc/14/45/67/359144567.db2.gz OITOVILUHOAFMR-XJKSGUPXSA-N -1 3 294.395 1.576 10 0 CDAEHM C[C@H]1CCN(CCNC(=O)c2s[n-]c(=O)c2Cl)C1 ZINC000560177571 359360360 /nfs/dbraw/zinc/36/03/60/359360360.db2.gz CLEZJEDDACIEAU-ZETCQYMHSA-N -1 3 289.788 1.574 10 0 CDAEHM Cc1nc(C)c(CC(=O)NC(C)(C)C(C)(C)O)c(=O)[n-]1 ZINC000347735131 359558372 /nfs/dbraw/zinc/55/83/72/359558372.db2.gz DNNAJEFWHIOQJI-UHFFFAOYSA-N -1 3 281.356 1.007 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2COCC2(C)C)c1 ZINC000456534509 363702061 /nfs/dbraw/zinc/70/20/61/363702061.db2.gz HALDOZOGTACCRT-ZDUSSCGKSA-N -1 3 292.335 1.505 10 0 CDAEHM Cc1ccc([O-])c(-c2nc([C@H]3CN4CCN3CC4)no2)c1 ZINC000094511893 360144380 /nfs/dbraw/zinc/14/43/80/360144380.db2.gz TYQUWQCBJIHOQU-GFCCVEGCSA-N -1 3 286.335 1.423 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CC23CC3)c1 ZINC000566127034 316485389 /nfs/dbraw/zinc/48/53/89/316485389.db2.gz ZDWWIVARFNRPQD-LBPRGKRZSA-N -1 3 260.293 1.633 10 0 CDAEHM O=c1[nH]cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)s1 ZINC000335466893 360219158 /nfs/dbraw/zinc/21/91/58/360219158.db2.gz QZWKEFQGDIDLJC-UHFFFAOYSA-N -1 3 292.288 1.928 10 0 CDAEHM Cc1ccc([O-])c(CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1 ZINC000093420348 360297589 /nfs/dbraw/zinc/29/75/89/360297589.db2.gz UOCOXEWOLHMOKK-GHMZBOCLSA-N -1 3 286.397 1.349 10 0 CDAEHM CNC(=O)[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000335509442 360288611 /nfs/dbraw/zinc/28/86/11/360288611.db2.gz IVMPINFTZKDVIF-LBPRGKRZSA-N -1 3 290.363 1.724 10 0 CDAEHM O=S(=O)([N-][C@@H]1CC[C@H]1O)c1ccc(F)cc1Cl ZINC000335563876 360464625 /nfs/dbraw/zinc/46/46/25/360464625.db2.gz CCLBFSBESMLPEV-RKDXNWHRSA-N -1 3 279.720 1.281 10 0 CDAEHM COC(=O)[C@@H](C)CS(=O)(=O)[N-]c1ccccc1Cl ZINC000177830639 189072450 /nfs/dbraw/zinc/07/24/50/189072450.db2.gz UZHPOGKAACIKMU-QMMMGPOBSA-N -1 3 291.756 1.891 10 0 CDAEHM C[C@@H]1C[C@H](N=c2[n-]c(C3CCOCC3)no2)CN1C1CC1 ZINC000516011663 360552906 /nfs/dbraw/zinc/55/29/06/360552906.db2.gz VDRRTEIBTNLFET-PWSUYJOCSA-N -1 3 292.383 1.423 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C)O2)o1 ZINC000335639898 360654337 /nfs/dbraw/zinc/65/43/37/360654337.db2.gz 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/nfs/dbraw/zinc/11/80/67/361118067.db2.gz ZKLBHIFPXCNXFO-UHFFFAOYSA-N -1 3 299.338 1.637 10 0 CDAEHM CCN(CCC1CC1)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000338870330 361087612 /nfs/dbraw/zinc/08/76/12/361087612.db2.gz PIJHOJQYQZGISF-UHFFFAOYSA-N -1 3 278.356 1.510 10 0 CDAEHM CN(C)c1nc(C(=O)NCCc2ccccc2)cc(=O)[n-]1 ZINC000338881770 361094822 /nfs/dbraw/zinc/09/48/22/361094822.db2.gz UKFSURNWQBCFEX-UHFFFAOYSA-N -1 3 286.335 1.221 10 0 CDAEHM Cn1cnc(S(=O)(=O)[N-]C[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000339042344 361232316 /nfs/dbraw/zinc/23/23/16/361232316.db2.gz JOUMYMFYTAFRIQ-CHWSQXEVSA-N -1 3 291.376 1.502 10 0 CDAEHM CCC(F)(F)C(C)(C)CNC(=O)c1cc(=O)[n-]cn1 ZINC000628877346 361245613 /nfs/dbraw/zinc/24/56/13/361245613.db2.gz BULIVYCSKAZHKK-UHFFFAOYSA-N -1 3 273.283 1.984 10 0 CDAEHM CN(C)c1nc(-c2nc([C@H]3CCCO3)no2)cc(=O)[n-]1 ZINC000339096658 361280224 /nfs/dbraw/zinc/28/02/24/361280224.db2.gz USZBKGFYUSHEQV-MRVPVSSYSA-N -1 3 277.284 1.150 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@@H](CCF)C1 ZINC000629013849 361401524 /nfs/dbraw/zinc/40/15/24/361401524.db2.gz MTJVYIWARDLGBQ-NSHDSACASA-N -1 3 285.290 1.661 10 0 CDAEHM Cc1ccc([N-]S(=O)(=O)c2c[nH]c(=O)s2)c(O)c1 ZINC000436475421 361518616 /nfs/dbraw/zinc/51/86/16/361518616.db2.gz BHFKXIXUODZCGT-UHFFFAOYSA-N -1 3 286.334 1.664 10 0 CDAEHM Cc1ccc(C(=O)NCC[C@H](O)C(F)(F)F)c([O-])c1 ZINC000436487722 361521725 /nfs/dbraw/zinc/52/17/25/361521725.db2.gz KKRHBGFVTGHMOG-JTQLQIEISA-N -1 3 277.242 1.744 10 0 CDAEHM C[C@H](CNC(=O)c1c([O-])cccc1O)N1CCCCC1=O ZINC000436739891 361568161 /nfs/dbraw/zinc/56/81/61/361568161.db2.gz QUSWVNQQFVCRJM-SNVBAGLBSA-N -1 3 292.335 1.229 10 0 CDAEHM Cc1cc(C(=O)N[C@H]2CO[C@H](C3CC3)C2)ccc1[O-] ZINC000629125605 361591768 /nfs/dbraw/zinc/59/17/68/361591768.db2.gz IEVDBSMEFOFHMA-OCCSQVGLSA-N -1 3 261.321 1.998 10 0 CDAEHM C[C@@H]1[C@H](C)NCCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000379456136 361680068 /nfs/dbraw/zinc/68/00/68/361680068.db2.gz OYBXAHVOCNPMQU-WDEREUQCSA-N -1 3 276.336 1.136 10 0 CDAEHM O=C(c1cncc([O-])c1)N1CCN[C@@H](c2ccccc2)C1 ZINC000457031606 363874082 /nfs/dbraw/zinc/87/40/82/363874082.db2.gz STFIVNMNSPRHEF-OAHLLOKOSA-N -1 3 283.331 1.574 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2CC(OC(C)C)C2)cc1[O-] ZINC000636324392 364043336 /nfs/dbraw/zinc/04/33/36/364043336.db2.gz VWWAGPGXCMOZBW-UHFFFAOYSA-N -1 3 277.320 1.844 10 0 CDAEHM Cn1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000528450963 364129866 /nfs/dbraw/zinc/12/98/66/364129866.db2.gz ODFWQIMRJCXFCU-OUAUKWLOSA-N -1 3 269.370 1.135 10 0 CDAEHM O=S(=O)(Cc1cn2cccnc2n1)c1cccc([O-])c1 ZINC000170617131 364401400 /nfs/dbraw/zinc/40/14/00/364401400.db2.gz AAAWQOPQDVMHLR-UHFFFAOYSA-N -1 3 289.316 1.409 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000630011372 364427905 /nfs/dbraw/zinc/42/79/05/364427905.db2.gz ILVYLPGQXWTDJP-GHMZBOCLSA-N -1 3 287.367 1.739 10 0 CDAEHM COc1cc(C(=O)N[C@H]2CCOC[C@H]2C)ccc1[O-] ZINC000278414184 366855334 /nfs/dbraw/zinc/85/53/34/366855334.db2.gz FORLZUQQZIPPGL-KOLCDFICSA-N -1 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/nfs/dbraw/zinc/23/57/37/155235737.db2.gz GSFZTBWTGHYXBB-UHFFFAOYSA-N -1 3 293.348 1.958 10 0 CDAEHM C[C@@H](Sc1ccccn1)C(=O)NCc1ncccc1[O-] ZINC000352515682 155241090 /nfs/dbraw/zinc/24/10/90/155241090.db2.gz HRHSSGITWHDGGV-SNVBAGLBSA-N -1 3 289.360 1.979 10 0 CDAEHM COc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)OC)c(F)c1 ZINC000352532415 155253830 /nfs/dbraw/zinc/25/38/30/155253830.db2.gz UXZRKORSSZQKEK-DTWKUNHWSA-N -1 3 291.344 1.536 10 0 CDAEHM CCc1cc(C(=O)N2CC[C@](O)(C(F)F)C2)ccc1[O-] ZINC000334972190 150134373 /nfs/dbraw/zinc/13/43/73/150134373.db2.gz JYVJUIFHKLADLT-CQSZACIVSA-N -1 3 285.290 1.797 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N2C[C@H](O)C3(CC3)C2)c1 ZINC000335333435 150554532 /nfs/dbraw/zinc/55/45/32/150554532.db2.gz GUAGTCDVJHCTHF-ZDUSSCGKSA-N -1 3 261.321 1.552 10 0 CDAEHM CCc1cc(C(=O)N2CCS(=O)(=O)[C@H](C)C2)ccc1[O-] ZINC000343069094 152019939 /nfs/dbraw/zinc/01/99/39/152019939.db2.gz BMXIQOFZBYPXGI-SNVBAGLBSA-N -1 3 297.376 1.214 10 0 CDAEHM CN(Cc1nc(=O)c2sccc2[n-]1)[C@@H]1CCC[C@@H]1O ZINC000352669223 155344737 /nfs/dbraw/zinc/34/47/37/155344737.db2.gz YCJLXKQBFAXDIS-ZJUUUORDSA-N -1 3 279.365 1.742 10 0 CDAEHM CCc1noc(C)c1NC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000343775469 152298239 /nfs/dbraw/zinc/29/82/39/152298239.db2.gz MGQZYAKCFRMNHZ-UHFFFAOYSA-N -1 3 277.280 1.912 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@]2(C)CCCS2)c1 ZINC000343843834 152323467 /nfs/dbraw/zinc/32/34/67/152323467.db2.gz RKWSBNMKDZTYQK-LLVKDONJSA-N -1 3 289.426 1.467 10 0 CDAEHM CO[C@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)CC[C@@H]1C ZINC000346835613 153319596 /nfs/dbraw/zinc/31/95/96/153319596.db2.gz UMGPATOWUQZXQY-ZANVPECISA-N -1 3 293.367 1.225 10 0 CDAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3c[nH]cn3)cc2)n1 ZINC000346939117 153353713 /nfs/dbraw/zinc/35/37/13/153353713.db2.gz MPFFZHOGEFFRJB-UHFFFAOYSA-N -1 3 295.302 1.721 10 0 CDAEHM O=C(NCCc1ccccc1F)NCc1ncccc1[O-] ZINC000349168586 154062732 /nfs/dbraw/zinc/06/27/32/154062732.db2.gz QOCGKDFTTKFJBI-UHFFFAOYSA-N -1 3 289.310 1.968 10 0 CDAEHM COC(C)(C)CS(=O)(=O)[N-][C@@H](C)c1nc(C)cs1 ZINC000349684054 154179292 /nfs/dbraw/zinc/17/92/92/154179292.db2.gz JGRPFJPKIVTKIN-VIFPVBQESA-N -1 3 292.426 1.857 10 0 CDAEHM C[C@@H](NC(=O)NCc1ncccc1[O-])[C@H]1CCCCO1 ZINC000349774501 154213194 /nfs/dbraw/zinc/21/31/94/154213194.db2.gz QPCZFSZMTIQVAV-ZWNOBZJWSA-N -1 3 279.340 1.544 10 0 CDAEHM C/C=C\C[C@@H](CO)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000354236358 156342392 /nfs/dbraw/zinc/34/23/92/156342392.db2.gz LIGDFINIULVSKK-QUCGXOGASA-N -1 3 286.331 1.585 10 0 CDAEHM CC[C@@H](C)CCC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000355496135 157082568 /nfs/dbraw/zinc/08/25/68/157082568.db2.gz IKZLPTOHQFGPRO-YGRLFVJLSA-N -1 3 281.356 1.013 10 0 CDAEHM Cc1cnc(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c([O-])c1 ZINC000358747711 158011167 /nfs/dbraw/zinc/01/11/67/158011167.db2.gz WXJBUYMBDIVNJO-WCQYABFASA-N -1 3 291.395 1.946 10 0 CDAEHM C[C@H](c1ccccc1)[C@H](NC(=O)c1cccc([O-])c1)C(N)=O ZINC000359239997 158177871 /nfs/dbraw/zinc/17/78/71/158177871.db2.gz BMRYFVDPCQXWPJ-ABAIWWIYSA-N -1 3 298.342 1.780 10 0 CDAEHM C[C@H](C1CCN(C)CC1)N(C)C(=O)N=c1[n-]ncs1 ZINC000351510523 298268488 /nfs/dbraw/zinc/26/84/88/298268488.db2.gz MYUPFEWVHYHGPH-SECBINFHSA-N -1 3 283.401 1.154 10 0 CDAEHM COc1cccc(C(=O)N2CCOCC[C@H]2C)c1[O-] ZINC000374980648 160330337 /nfs/dbraw/zinc/33/03/37/160330337.db2.gz OWKQZNTZHURHMN-SNVBAGLBSA-N -1 3 265.309 1.652 10 0 CDAEHM CCOC(=O)CCC(=O)NC(=S)Nc1ccccc1[O-] ZINC000005979646 170165226 /nfs/dbraw/zinc/16/52/26/170165226.db2.gz ZUJBYYHPQPTSCO-UHFFFAOYSA-N -1 3 296.348 1.549 10 0 CDAEHM Cc1cc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)c(C)[nH]1 ZINC000651979531 412094724 /nfs/dbraw/zinc/09/47/24/412094724.db2.gz YEAMXNCICHSWHY-LLVKDONJSA-N -1 3 288.355 1.150 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CCOC[C@@H]1CC1CCC1 ZINC000655404383 412180590 /nfs/dbraw/zinc/18/05/90/412180590.db2.gz TWYFWUUEPUYIGX-AWEZNQCLSA-N -1 3 290.363 1.747 10 0 CDAEHM CN(C)c1ncccc1CNC(=O)Cc1cncc([O-])c1 ZINC000655390399 412166067 /nfs/dbraw/zinc/16/60/67/412166067.db2.gz ZQIAQLIMKZUTRG-UHFFFAOYSA-N -1 3 286.335 1.107 10 0 CDAEHM C[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cc(N)cc1Cl ZINC000035599584 172288391 /nfs/dbraw/zinc/28/83/91/172288391.db2.gz SDQJFADSBLOCLX-RXMQYKEDSA-N -1 3 299.179 1.235 10 0 CDAEHM O=C([O-])[C@@H]1CCN(CCn2ccnc2)[C@H]2CCCC[C@H]12 ZINC000656767038 413653875 /nfs/dbraw/zinc/65/38/75/413653875.db2.gz QJYVBVLGBZTGNB-MCIONIFRSA-N -1 3 277.368 1.848 10 0 CDAEHM O=C([O-])COCCN1CCC([C@H]2CCCCO2)CC1 ZINC000656767135 413655798 /nfs/dbraw/zinc/65/57/98/413655798.db2.gz CTSRZSNODHGCOE-CYBMUJFWSA-N -1 3 271.357 1.369 10 0 CDAEHM CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656855113 413742008 /nfs/dbraw/zinc/74/20/08/413742008.db2.gz AFJGIHGHUBBZKZ-ZIQFBCGOSA-N -1 3 284.400 1.611 10 0 CDAEHM C[C@@H](CC(=O)N1CCCc2cccc([O-])c21)NC(N)=O ZINC000654975567 413856713 /nfs/dbraw/zinc/85/67/13/413856713.db2.gz HTHJZYJRVMFEAQ-VIFPVBQESA-N -1 3 277.324 1.118 10 0 CDAEHM O=c1ccnc(-c2cc3c(c(Cl)c2)OCO3)[n-]1 ZINC000036882173 172778658 /nfs/dbraw/zinc/77/86/58/172778658.db2.gz GFGUBTNKOASEAU-UHFFFAOYSA-N -1 3 250.641 1.819 10 0 CDAEHM C[C@@H]1CCC[C@H](C)N1CCNC(=O)C1(C(=O)[O-])CCC1 ZINC000663107049 413936477 /nfs/dbraw/zinc/93/64/77/413936477.db2.gz DRLAUYBZYBWVKA-TXEJJXNPSA-N -1 3 282.384 1.620 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)n1 ZINC000661206038 413886302 /nfs/dbraw/zinc/88/63/02/413886302.db2.gz SLOCBPBDKWRGFA-XQHKEYJVSA-N -1 3 277.368 1.644 10 0 CDAEHM C[C@]1(CC[N-]S(=O)(=O)c2c[nH]cn2)CC1(F)F ZINC000657159006 413986662 /nfs/dbraw/zinc/98/66/62/413986662.db2.gz CGKBOZJUPNPVDW-QMMMGPOBSA-N -1 3 265.285 1.123 10 0 CDAEHM Cc1cc([N-]C(=O)[C@@H](C)N2CC[C@H](O)C(F)(F)C2)on1 ZINC000661401190 414058843 /nfs/dbraw/zinc/05/88/43/414058843.db2.gz VYLRBFLULDAYTI-BDAKNGLRSA-N -1 3 289.282 1.012 10 0 CDAEHM C[C@H](C(=O)Nc1[n-]nnc1C(=O)NC1CC1)C1CCCC1 ZINC000662176911 414553935 /nfs/dbraw/zinc/55/39/35/414553935.db2.gz YNRCXXNTAMQMJD-QMMMGPOBSA-N -1 3 291.355 1.462 10 0 CDAEHM C[C@H](C(=O)Nc1nn[n-]c1C(=O)NC1CC1)C1CCCC1 ZINC000662176911 414553939 /nfs/dbraw/zinc/55/39/39/414553939.db2.gz YNRCXXNTAMQMJD-QMMMGPOBSA-N -1 3 291.355 1.462 10 0 CDAEHM C[C@H](C(=O)Nc1n[n-]nc1C(=O)NC1CC1)C1CCCC1 ZINC000662176911 414553942 /nfs/dbraw/zinc/55/39/42/414553942.db2.gz YNRCXXNTAMQMJD-QMMMGPOBSA-N -1 3 291.355 1.462 10 0 CDAEHM CCN(CCC(=O)[O-])CC(=O)NC[C@H](C)c1ccccc1 ZINC000038025184 174009530 /nfs/dbraw/zinc/00/95/30/174009530.db2.gz PQXDDNSLLJBVGC-ZDUSSCGKSA-N -1 3 292.379 1.703 10 0 CDAEHM Nc1n[nH]cc1S(=O)(=O)[N-]CCC1=CCCCC1 ZINC000040316653 174233240 /nfs/dbraw/zinc/23/32/40/174233240.db2.gz CTXMVVPUGZYOSE-UHFFFAOYSA-N -1 3 270.358 1.161 10 0 CDAEHM COc1ccc([C@H](N)c2nn[n-]n2)cc1Br ZINC000040397396 174253417 /nfs/dbraw/zinc/25/34/17/174253417.db2.gz URGZIVXCKNGOPO-QMMMGPOBSA-N -1 3 284.117 1.019 10 0 CDAEHM COc1ccc([C@H](N)c2nnn[n-]2)cc1Br ZINC000040397396 174253419 /nfs/dbraw/zinc/25/34/19/174253419.db2.gz URGZIVXCKNGOPO-QMMMGPOBSA-N -1 3 284.117 1.019 10 0 CDAEHM CC(C)[C@@H](N)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000040479306 174283759 /nfs/dbraw/zinc/28/37/59/174283759.db2.gz VBCSZGPHINVROF-SNVBAGLBSA-N -1 3 270.716 1.960 10 0 CDAEHM CCC[C@H](N)C(=O)N(CCC(=O)[O-])c1ccccc1 ZINC000040483898 174287791 /nfs/dbraw/zinc/28/77/91/174287791.db2.gz IHRWNJLBOZKSAP-LBPRGKRZSA-N -1 3 264.325 1.622 10 0 CDAEHM Cc1cccc(C(=O)[O-])c1NC(=O)N1CCCN(C)CC1 ZINC000040520972 174310099 /nfs/dbraw/zinc/31/00/99/174310099.db2.gz REENCYDYCQXCCP-UHFFFAOYSA-N -1 3 291.351 1.863 10 0 CDAEHM CCN1CCC[C@H]1CNC(=O)N(CCC(=O)[O-])C(C)(C)C ZINC000040552876 174329542 /nfs/dbraw/zinc/32/95/42/174329542.db2.gz WJUXSEMSIWXIMW-LBPRGKRZSA-N -1 3 299.415 1.756 10 0 CDAEHM COCCS(=O)(=O)[N-][C@@H](CC(C)C)c1nccs1 ZINC000040665935 174366525 /nfs/dbraw/zinc/36/65/25/174366525.db2.gz JZRUTQATUGRIFH-JTQLQIEISA-N -1 3 292.426 1.796 10 0 CDAEHM Cc1cccc(C(=O)[O-])c1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000040716326 174383776 /nfs/dbraw/zinc/38/37/76/174383776.db2.gz XNYAQLSAMOFIQX-LLVKDONJSA-N -1 3 291.351 1.909 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c1 ZINC000043334197 175010654 /nfs/dbraw/zinc/01/06/54/175010654.db2.gz DDCUGGYOFILWEZ-VHSXEESVSA-N -1 3 292.335 1.127 10 0 CDAEHM CCC[C@H](N)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000043586227 175071389 /nfs/dbraw/zinc/07/13/89/175071389.db2.gz QPHFPFQKLBSORT-QWRGUYRKSA-N -1 3 256.346 1.217 10 0 CDAEHM CCNCc1cc(OC)ccc1O[C@@H](C)C(=O)[O-] ZINC000043623970 175080726 /nfs/dbraw/zinc/08/07/26/175080726.db2.gz JPAXQLCYRGKLGC-VIFPVBQESA-N -1 3 253.298 1.657 10 0 CDAEHM CCNCc1cc(OC)ccc1O[C@H](C)C(=O)[O-] ZINC000043623971 175080945 /nfs/dbraw/zinc/08/09/45/175080945.db2.gz JPAXQLCYRGKLGC-SECBINFHSA-N -1 3 253.298 1.657 10 0 CDAEHM Cc1cc(=O)n([C@H]2CCN(C)C2)c(C)c1C(=O)[O-] ZINC000043673721 175087998 /nfs/dbraw/zinc/08/79/98/175087998.db2.gz CHWHMMAUPDVILP-JTQLQIEISA-N -1 3 250.298 1.040 10 0 CDAEHM CCOC[C@@H](C)NC(=O)c1cc(OC)ccc1[O-] ZINC000044413938 175172558 /nfs/dbraw/zinc/17/25/58/175172558.db2.gz ZOONPJPUCHZWFP-SECBINFHSA-N -1 3 253.298 1.556 10 0 CDAEHM CCCNCC(=O)N(CC(=O)[O-])c1cccc(Cl)c1 ZINC000044651100 175224753 /nfs/dbraw/zinc/22/47/53/175224753.db2.gz PJBLCAVLQRACPU-UHFFFAOYSA-N -1 3 284.743 1.757 10 0 CDAEHM CCCNCC(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-] ZINC000044650877 175224911 /nfs/dbraw/zinc/22/49/11/175224911.db2.gz JUQPXDNPCBZXSU-UHFFFAOYSA-N -1 3 296.323 1.340 10 0 CDAEHM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044692904 175233809 /nfs/dbraw/zinc/23/38/09/175233809.db2.gz OEDNBZNFPBZLBV-RAIGVLPGSA-N -1 3 280.368 1.230 10 0 CDAEHM CCCN(CC(N)=S)C(=O)c1cccc(C)c1[O-] ZINC000045093218 175306307 /nfs/dbraw/zinc/30/63/07/175306307.db2.gz ZFRLUGXUDRPGOB-UHFFFAOYSA-N -1 3 266.366 1.839 10 0 CDAEHM Cc1ccc(C(=O)N(C)[C@H](C)C(N)=S)c([O-])c1 ZINC000045146601 175316779 /nfs/dbraw/zinc/31/67/79/175316779.db2.gz PPGXPZNTAJVXKV-MRVPVSSYSA-N -1 3 252.339 1.447 10 0 CDAEHM COCCN(C[C@](N)(C(=O)[O-])c1ccccc1)C1CC1 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1.365 10 0 CDAEHM CCN(CC(=O)N(C)Cc1ccc(C)o1)[C@H](C)CC(=O)[O-] ZINC000061182891 520302275 /nfs/dbraw/zinc/30/22/75/520302275.db2.gz LHFZOTLFAQNNOP-LLVKDONJSA-N -1 3 296.367 1.732 10 0 CDAEHM CCO[C@@H](CN1CCN(C)C[C@@H]1c1ccccc1)C(=O)[O-] ZINC000062750491 520311785 /nfs/dbraw/zinc/31/17/85/520311785.db2.gz LUQQMVPCXURIOL-CABCVRRESA-N -1 3 292.379 1.465 10 0 CDAEHM CCN(CC(=O)NCCc1cccs1)C[C@@H](C)C(=O)[O-] ZINC000061219649 520336642 /nfs/dbraw/zinc/33/66/42/520336642.db2.gz JDHGXAJKAAGSRA-LLVKDONJSA-N -1 3 298.408 1.449 10 0 CDAEHM CCN(CC)C(=O)[C@H](C)Oc1ccc2c([O-])coc2c1 ZINC000062805388 520536169 /nfs/dbraw/zinc/53/61/69/520536169.db2.gz FDPJNYIVTVJMKC-JTQLQIEISA-N -1 3 277.320 1.897 10 0 CDAEHM CCOc1cc(NC(=O)c2nnc(N)[n-]2)ccc1OC ZINC000055166363 520759420 /nfs/dbraw/zinc/75/94/20/520759420.db2.gz DKTNSWOJBQNNIO-UHFFFAOYSA-N -1 3 277.284 1.047 10 0 CDAEHM CCOc1cc(NC(=O)c2nc(N)n[n-]2)ccc1OC ZINC000055166363 520759427 /nfs/dbraw/zinc/75/94/27/520759427.db2.gz DKTNSWOJBQNNIO-UHFFFAOYSA-N -1 3 277.284 1.047 10 0 CDAEHM CCOc1cc(NC(=O)c2n[n-]c(N)n2)ccc1OC ZINC000055166363 520759435 /nfs/dbraw/zinc/75/94/35/520759435.db2.gz DKTNSWOJBQNNIO-UHFFFAOYSA-N -1 3 277.284 1.047 10 0 CDAEHM CCOC(=O)C[N-]S(=O)(=O)Cc1cc(C)cc(C)c1 ZINC000337088016 520789820 /nfs/dbraw/zinc/78/98/20/520789820.db2.gz GSVMMCANIDWLKU-UHFFFAOYSA-N -1 3 285.365 1.286 10 0 CDAEHM CCC[C@H]1CC[C@H](C(=O)[O-])[C@H](N2CCOCC2)C1 ZINC000062750051 521211920 /nfs/dbraw/zinc/21/19/20/521211920.db2.gz AJBUQPFVPFFEAH-RWMBFGLXSA-N -1 3 255.358 1.988 10 0 CDAEHM CCN(Cc1cccnc1C(=O)[O-])C[C@@H]1CCCO1 ZINC000062753894 521394357 /nfs/dbraw/zinc/39/43/57/521394357.db2.gz XTHCJEOZBKSWFW-LBPRGKRZSA-N -1 3 264.325 1.781 10 0 CDAEHM CN(C)CCNc1nc2c(cc1C(=O)[O-])CCCC2 ZINC000054527157 521792076 /nfs/dbraw/zinc/79/20/76/521792076.db2.gz MTZCJCXFPSEQPP-UHFFFAOYSA-N -1 3 263.341 1.632 10 0 CDAEHM COCC[C@@H](N)C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000052809516 521819688 /nfs/dbraw/zinc/81/96/88/521819688.db2.gz UNBHHZVXAQLLHK-GFCCVEGCSA-N -1 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CO[C@@H](C(=O)[N-]C1=NCCS1)c1ccc(O)cc1 ZINC000765974358 576067833 /nfs/dbraw/zinc/06/78/33/576067833.db2.gz LSMVRYJXBHXUOZ-SNVBAGLBSA-N -1 3 266.322 1.299 10 0 CDAEHM c1cc(N2CCC(c3nnn[n-]3)CC2)nc(C2CC2)n1 ZINC000738413096 576070649 /nfs/dbraw/zinc/07/06/49/576070649.db2.gz NAXKFRWAVVAOEV-UHFFFAOYSA-N -1 3 271.328 1.251 10 0 CDAEHM c1cc(N2CCC(c3nn[n-]n3)CC2)nc(C2CC2)n1 ZINC000738413096 576070651 /nfs/dbraw/zinc/07/06/51/576070651.db2.gz NAXKFRWAVVAOEV-UHFFFAOYSA-N -1 3 271.328 1.251 10 0 CDAEHM O=C(O[C@H]1CCCNC1=O)c1cc(-c2ccoc2)[n-]n1 ZINC000767288549 576176310 /nfs/dbraw/zinc/17/63/10/576176310.db2.gz RBWXKDXRTUKBJW-NSHDSACASA-N -1 3 275.264 1.105 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)C(C)(C)F)n[n-]1 ZINC000768470932 576287746 /nfs/dbraw/zinc/28/77/46/576287746.db2.gz MYXIBKIACVODSQ-UHFFFAOYSA-N -1 3 251.265 1.497 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)C(C)(C)F)[n-]n1 ZINC000768470932 576287748 /nfs/dbraw/zinc/28/77/48/576287748.db2.gz MYXIBKIACVODSQ-UHFFFAOYSA-N -1 3 251.265 1.497 10 0 CDAEHM 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CDAEHM COc1nc(NC(=O)c2ccc(C(C)C)[nH]c2=O)n[n-]1 ZINC001362225624 903347780 /nfs/dbraw/zinc/34/77/80/903347780.db2.gz XQGLUTLKYLBYIW-UHFFFAOYSA-N -1 3 277.284 1.290 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(C(C)C)[nH]c2=O)n1 ZINC001362225624 903347788 /nfs/dbraw/zinc/34/77/88/903347788.db2.gz XQGLUTLKYLBYIW-UHFFFAOYSA-N -1 3 277.284 1.290 10 0 CDAEHM COC(=O)c1cnc(SCC23CC(C)(C2)OC3)[n-]1 ZINC001189166721 921366403 /nfs/dbraw/zinc/36/64/03/921366403.db2.gz VNTIEDKUIMLKLQ-UHFFFAOYSA-N -1 3 268.338 1.858 10 0 CDAEHM C[C@H](CCNCc1n[nH]c(=O)[n-]1)NC(=O)[C@H](C)C(C)(C)C ZINC001482847125 908422025 /nfs/dbraw/zinc/42/20/25/908422025.db2.gz OPMUPKZQTUYLQN-ZJUUUORDSA-N -1 3 297.403 1.177 10 0 CDAEHM CCc1cccc(CC(=O)[N-]O[C@H](CO)C(C)C)c1 ZINC000836891627 936809847 /nfs/dbraw/zinc/80/98/47/936809847.db2.gz JTGXAVRZNSYNMN-CQSZACIVSA-N -1 3 265.353 1.856 10 0 CDAEHM CC(C)O[N-]C(=O)Cc1ccc([S@](C)=O)cc1 ZINC001141476295 936879910 /nfs/dbraw/zinc/87/99/10/936879910.db2.gz QVGNZRMZGJBUTJ-KRWDZBQOSA-N -1 3 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C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@H](N)CCC(=O)[O-] ZINC000085838646 179183535 /nfs/dbraw/zinc/18/35/35/179183535.db2.gz WTGQZMTUZLJKAV-BXKDBHETSA-N -1 3 282.315 1.537 10 0 CDAEHM N[C@H](CCC(=O)[O-])C(=O)NCc1ccc(F)c(Cl)c1 ZINC000085844257 179185751 /nfs/dbraw/zinc/18/57/51/179185751.db2.gz UDQBRNVNKAANTG-SNVBAGLBSA-N -1 3 288.706 1.287 10 0 CDAEHM C[C@@H](CCNC(=O)[C@H](N)CCC(=O)[O-])c1ccccc1 ZINC000085844602 179185786 /nfs/dbraw/zinc/18/57/86/179185786.db2.gz PBKPIGHEOLZNJM-WCQYABFASA-N -1 3 278.352 1.489 10 0 CDAEHM CC(C)CCCCCCNC(=O)[C@H](N)CC(=O)[O-] ZINC000085817397 179180152 /nfs/dbraw/zinc/18/01/52/179180152.db2.gz DXBIYCVOEFUPLG-LLVKDONJSA-N -1 3 258.362 1.511 10 0 CDAEHM Cc1ccc(NC(=O)[C@@H](N)CCC(=O)[O-])c(F)c1 ZINC000085818755 179181251 /nfs/dbraw/zinc/18/12/51/179181251.db2.gz GHPLMBBMJZWRHR-VIFPVBQESA-N -1 3 254.261 1.265 10 0 CDAEHM CO[C@@H](C(=O)NCc1ccc([O-])c(F)c1)[C@H]1CCOC1 ZINC000612629843 347228738 /nfs/dbraw/zinc/22/87/38/347228738.db2.gz AEDAESFIPZJOAP-GXFFZTMASA-N -1 3 283.299 1.199 10 0 CDAEHM CO[C@@H]1CC[C@H](C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000612631959 347234424 /nfs/dbraw/zinc/23/44/24/347234424.db2.gz KBCRVEZJFHMWKD-WDEREUQCSA-N -1 3 267.300 1.963 10 0 CDAEHM Cc1[n-]n(-c2ccccc2Br)c(=O)c1CN ZINC000086109056 179231839 /nfs/dbraw/zinc/23/18/39/179231839.db2.gz SKBDKPGHSITESJ-QMMMGPOBSA-N -1 3 282.141 1.747 10 0 CDAEHM O=C(c1cc(F)ccc1[O-])N1CC[C@H](N2CCC2)[C@@H](F)C1 ZINC000614093108 347990779 /nfs/dbraw/zinc/99/07/79/347990779.db2.gz NEYWWDSXARDIMJ-STQMWFEESA-N -1 3 296.317 1.790 10 0 CDAEHM C[C@@H](CC(=O)NCc1ncccc1[O-])[C@@H]1CCCO1 ZINC000614254744 348059289 /nfs/dbraw/zinc/05/92/89/348059289.db2.gz KWDKCXLHACXBSZ-GWCFXTLKSA-N -1 3 264.325 1.609 10 0 CDAEHM Cc1cc(C(=O)N2CC(CN3CCOCC3)C2)ccc1[O-] ZINC000615144712 348359591 /nfs/dbraw/zinc/35/95/91/348359591.db2.gz ATSJXIORDMYGFS-UHFFFAOYSA-N -1 3 290.363 1.105 10 0 CDAEHM O=C(N[C@H]1CCCNC1=O)c1cc2c(cc1[O-])CCCC2 ZINC000064099298 348936023 /nfs/dbraw/zinc/93/60/23/348936023.db2.gz WNPRLPXBVNKFQP-ZDUSSCGKSA-N -1 3 288.347 1.279 10 0 CDAEHM C[C@@H](NC(=O)c1cc2c(cc1[O-])CCCC2)C(=O)N(C)C ZINC000068541747 349071043 /nfs/dbraw/zinc/07/10/43/349071043.db2.gz IWUCGDIHVNCCIT-SNVBAGLBSA-N -1 3 290.363 1.478 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCC[C@@](O)(C2CC2)C1 ZINC000618286191 349427868 /nfs/dbraw/zinc/42/78/68/349427868.db2.gz HXUHXEXRPHMOJF-HNNXBMFYSA-N -1 3 261.321 1.769 10 0 CDAEHM O=C(c1c[n-]c2ccccc2c1=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000620150691 350069839 /nfs/dbraw/zinc/06/98/39/350069839.db2.gz OBGPXLMBZJFOAG-RYUDHWBXSA-N -1 3 298.342 1.637 10 0 CDAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N(CC1CC1)c1ccccc1 ZINC000091068925 180093198 /nfs/dbraw/zinc/09/31/98/180093198.db2.gz FTEVAKNYJLBBGQ-LBPRGKRZSA-N -1 3 287.319 1.028 10 0 CDAEHM CCN1CC[C@H](NC(=O)c2ccc(C)cc2[O-])C1=O ZINC000670029924 482632680 /nfs/dbraw/zinc/63/26/80/482632680.db2.gz JXUXXVRDPINYQU-NSHDSACASA-N -1 3 262.309 1.051 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2CCc3nccnc3C2)cc1[O-] ZINC000620418817 350175148 /nfs/dbraw/zinc/17/51/48/350175148.db2.gz CIRWHNWMFZOVLS-UHFFFAOYSA-N -1 3 297.314 1.583 10 0 CDAEHM CC[C@@H]1CN(C(=O)c2cccc(C)c2[O-])C[C@H](C)N1 ZINC000620905822 350375032 /nfs/dbraw/zinc/37/50/32/350375032.db2.gz CSVRPLYFRWCLPG-NWDGAFQWSA-N -1 3 262.353 1.913 10 0 CDAEHM COc1ccc(S(=O)(=O)[N-]C[C@H](O)C(C)C)c(F)c1 ZINC000360247433 362954905 /nfs/dbraw/zinc/95/49/05/362954905.db2.gz BTAPXEWQMYPCLM-NSHDSACASA-N -1 3 291.344 1.130 10 0 CDAEHM C[C@H]1CN(C(=O)c2csc(=O)[n-]2)C[C@](C)(C(F)F)O1 ZINC000621123518 350447391 /nfs/dbraw/zinc/44/73/91/350447391.db2.gz OHIPKFQQHAEOOG-UPONEAKYSA-N -1 3 292.307 1.733 10 0 CDAEHM CSc1nnc(NC(=O)COCc2cccc(C)c2)[n-]1 ZINC000621801270 350786204 /nfs/dbraw/zinc/78/62/04/350786204.db2.gz LXKUQCYZJDQCRG-UHFFFAOYSA-N -1 3 292.364 1.990 10 0 CDAEHM CSc1n[n-]c(NC(=O)COCc2cccc(C)c2)n1 ZINC000621801270 350786205 /nfs/dbraw/zinc/78/62/05/350786205.db2.gz LXKUQCYZJDQCRG-UHFFFAOYSA-N -1 3 292.364 1.990 10 0 CDAEHM CSc1nc(NC(=O)COCc2cccc(C)c2)n[n-]1 ZINC000621801270 350786206 /nfs/dbraw/zinc/78/62/06/350786206.db2.gz LXKUQCYZJDQCRG-UHFFFAOYSA-N -1 3 292.364 1.990 10 0 CDAEHM C[C@@H]1CCC[C@H](CNC(=O)c2cc(F)c[n-]c2=O)O1 ZINC000622171524 351050947 /nfs/dbraw/zinc/05/09/47/351050947.db2.gz NGSMGCYBYBTJQQ-PSASIEDQSA-N -1 3 268.288 1.614 10 0 CDAEHM CC1(C)[C@@H](CNC(=O)c2cc(F)c[n-]c2=O)C1(F)F ZINC000622177600 351054726 /nfs/dbraw/zinc/05/47/26/351054726.db2.gz ZULLMQGICFFHDO-MRVPVSSYSA-N -1 3 274.242 1.947 10 0 CDAEHM Cc1ccc([O-])c(CN2C[C@@H](C)S(=O)(=O)[C@H](C)C2)n1 ZINC000290977498 363081251 /nfs/dbraw/zinc/08/12/51/363081251.db2.gz TVRYIBCKRISAKQ-GHMZBOCLSA-N -1 3 284.381 1.103 10 0 CDAEHM COc1cc(C(=O)N[C@H](C)[C@@H](C)OC)ccc1[O-] ZINC000291946326 198114517 /nfs/dbraw/zinc/11/45/17/198114517.db2.gz ZDCWKOUOEINKMO-RKDXNWHRSA-N -1 3 253.298 1.554 10 0 CDAEHM CCc1cc(C(=O)N2CCN(C(C)=O)C[C@@H]2C)ccc1[O-] ZINC000292184637 198193207 /nfs/dbraw/zinc/19/32/07/198193207.db2.gz OMCYLMOQBCZVKK-NSHDSACASA-N -1 3 290.363 1.647 10 0 CDAEHM CCc1nnc([N-]C(=O)c2nnn(C(C)C)c2C)s1 ZINC000292380072 198266449 /nfs/dbraw/zinc/26/64/49/198266449.db2.gz BAWJBUUNLBZJLX-UHFFFAOYSA-N -1 3 280.357 1.834 10 0 CDAEHM COc1nnc(NC(=O)C(C)(C)Oc2ccc(F)cc2)[n-]1 ZINC000158281951 188366865 /nfs/dbraw/zinc/36/68/65/188366865.db2.gz CJUKJDUDHUZJEL-UHFFFAOYSA-N -1 3 294.286 1.749 10 0 CDAEHM COc1nc(NC(=O)C(C)(C)Oc2ccc(F)cc2)n[n-]1 ZINC000158281951 188366867 /nfs/dbraw/zinc/36/68/67/188366867.db2.gz CJUKJDUDHUZJEL-UHFFFAOYSA-N -1 3 294.286 1.749 10 0 CDAEHM COc1n[n-]c(NC(=O)C(C)(C)Oc2ccc(F)cc2)n1 ZINC000158281951 188366868 /nfs/dbraw/zinc/36/68/68/188366868.db2.gz CJUKJDUDHUZJEL-UHFFFAOYSA-N -1 3 294.286 1.749 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)CC1(C)CCCCC1)C(=O)OC ZINC000356385057 366284954 /nfs/dbraw/zinc/28/49/54/366284954.db2.gz GPJIASXQQCTXPE-LLVKDONJSA-N -1 3 291.413 1.828 10 0 CDAEHM O=C1[N-]N(c2ccnc(C(F)(F)F)c2)C(=O)[C@H]2CCC[C@H]12 ZINC000634618027 356580062 /nfs/dbraw/zinc/58/00/62/356580062.db2.gz DRFLHVFNZUTPJG-IUCAKERBSA-N -1 3 299.252 1.895 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCn3cncc3C2)o1 ZINC000634661693 356660232 /nfs/dbraw/zinc/66/02/32/356660232.db2.gz ZVZZSGQCJKKKGI-JTQLQIEISA-N -1 3 281.337 1.078 10 0 CDAEHM C[C@@H]1CN(S(=O)(=O)c2ccc([O-])cc2)C[C@H](C)S1 ZINC000070388120 356742084 /nfs/dbraw/zinc/74/20/84/356742084.db2.gz IOPOSDVQSQJRFZ-AOOOYVTPSA-N -1 3 287.406 1.907 10 0 CDAEHM CCC[C@](C)(NC(=O)c1cccc([O-])c1)C(=O)OC ZINC000036817164 356885489 /nfs/dbraw/zinc/88/54/89/356885489.db2.gz NGUPQTNLNSIAAI-AWEZNQCLSA-N -1 3 265.309 1.854 10 0 CDAEHM C[C@@H]1CN(Cc2cc(CO)ccc2F)C[C@@]1(C)C(=O)[O-] ZINC000634693682 357135406 /nfs/dbraw/zinc/13/54/06/357135406.db2.gz OIPIMAQNQWWOKE-MEBBXXQBSA-N -1 3 281.327 1.861 10 0 CDAEHM Cc1nccn1C[C@@H](C)CNC(=O)c1cccc([O-])c1 ZINC000182142389 357412289 /nfs/dbraw/zinc/41/22/89/357412289.db2.gz OSHWWJCOKFTNGS-NSHDSACASA-N -1 3 273.336 1.963 10 0 CDAEHM Cc1ccc2ncnc(N(C)C[C@H](C)c3nnn[n-]3)c2c1 ZINC000185159465 357516330 /nfs/dbraw/zinc/51/63/30/357516330.db2.gz BZRJZWREVGSTGU-JTQLQIEISA-N -1 3 283.339 1.691 10 0 CDAEHM Cc1ccc2ncnc(N(C)C[C@H](C)c3nn[n-]n3)c2c1 ZINC000185159465 357516334 /nfs/dbraw/zinc/51/63/34/357516334.db2.gz BZRJZWREVGSTGU-JTQLQIEISA-N -1 3 283.339 1.691 10 0 CDAEHM CCN1CCC[C@@H]1CN(C)C(=O)c1cncc([O-])c1 ZINC000092632804 357745015 /nfs/dbraw/zinc/74/50/15/357745015.db2.gz MIRGKPCNBKYTNR-GFCCVEGCSA-N -1 3 263.341 1.344 10 0 CDAEHM CCc1ccc(C(=O)N[C@@H](C)[C@@H](C)CO)c([O-])c1 ZINC000188410549 357892778 /nfs/dbraw/zinc/89/27/78/357892778.db2.gz PCPKVDVKBXGIKX-UWVGGRQHSA-N -1 3 251.326 1.701 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H](OC(F)F)C2)n1 ZINC000558863045 357959689 /nfs/dbraw/zinc/95/96/89/357959689.db2.gz HMLKPNPSKJVIIC-BDAKNGLRSA-N -1 3 273.283 1.865 10 0 CDAEHM CO[C@H](CS(=O)(=O)[N-]C[C@@](C)(OC)C1CC1)C1CC1 ZINC000564908498 358034556 /nfs/dbraw/zinc/03/45/56/358034556.db2.gz NJBGNYFBJLJJGE-CHWSQXEVSA-N -1 3 291.413 1.146 10 0 CDAEHM COc1nnc(NC(=O)c2n[nH]c3c2CCCCC3)[n-]1 ZINC000190959864 358103403 /nfs/dbraw/zinc/10/34/03/358103403.db2.gz KKFMOKDOLGRZEI-UHFFFAOYSA-N -1 3 276.300 1.058 10 0 CDAEHM COc1nc(NC(=O)c2n[nH]c3c2CCCCC3)n[n-]1 ZINC000190959864 358103404 /nfs/dbraw/zinc/10/34/04/358103404.db2.gz KKFMOKDOLGRZEI-UHFFFAOYSA-N -1 3 276.300 1.058 10 0 CDAEHM COc1n[n-]c(NC(=O)c2n[nH]c3c2CCCCC3)n1 ZINC000190959864 358103406 /nfs/dbraw/zinc/10/34/06/358103406.db2.gz KKFMOKDOLGRZEI-UHFFFAOYSA-N -1 3 276.300 1.058 10 0 CDAEHM CCc1ncc([N-]S(=O)(=O)N2CC[C@H](C)C2)cn1 ZINC000408137493 358176015 /nfs/dbraw/zinc/17/60/15/358176015.db2.gz FTAPGLNWROUEBR-VIFPVBQESA-N -1 3 270.358 1.038 10 0 CDAEHM Cc1cc(CN(C)[C@H](C)c2nc(C)cc(=O)[n-]2)no1 ZINC000192540435 358214408 /nfs/dbraw/zinc/21/44/08/358214408.db2.gz VAVBLRDYYBGOGF-SNVBAGLBSA-N -1 3 262.313 1.980 10 0 CDAEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cscn2)n1 ZINC000566160653 358246725 /nfs/dbraw/zinc/24/67/25/358246725.db2.gz BHLOQZUAPBHFCR-SSDOTTSWSA-N -1 3 289.407 1.948 10 0 CDAEHM CCn1c(C)nnc1C[S@](=O)c1cccc([O-])c1 ZINC000194631304 358385073 /nfs/dbraw/zinc/38/50/73/358385073.db2.gz DNVWRFYDKSSTQJ-SFHVURJKSA-N -1 3 265.338 1.620 10 0 CDAEHM O=S(=O)([N-]C[C@H]1CCC[C@H]1O)c1ccc(Cl)s1 ZINC000089165284 358394323 /nfs/dbraw/zinc/39/43/23/358394323.db2.gz VSZLKQGCQJSRCL-HTQZYQBOSA-N -1 3 295.813 1.841 10 0 CDAEHM O=C(N[C@H]1COc2ccccc21)c1c([O-])cccc1O ZINC000092120387 358523753 /nfs/dbraw/zinc/52/37/53/358523753.db2.gz SDFIAHYYELIIBL-JTQLQIEISA-N -1 3 271.272 1.961 10 0 CDAEHM O=S(=O)(C[C@@H]1CCCCN1)c1nc2ccccc2[n-]1 ZINC000095073153 358673684 /nfs/dbraw/zinc/67/36/84/358673684.db2.gz HSEZBVIUTDVZKN-JTQLQIEISA-N -1 3 279.365 1.479 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)CNC(=O)c2ccsc2)n1 ZINC000345920721 358964539 /nfs/dbraw/zinc/96/45/39/358964539.db2.gz DAHAPCFDKRLODI-UHFFFAOYSA-N -1 3 291.332 1.526 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(N3CCCC3)nc2)[n-]1 ZINC000179377977 366533035 /nfs/dbraw/zinc/53/30/35/366533035.db2.gz XTANFPWLKSIMQP-UHFFFAOYSA-N -1 3 288.311 1.061 10 0 CDAEHM COc1nc(NC(=O)c2ccc(N3CCCC3)nc2)n[n-]1 ZINC000179377977 366533037 /nfs/dbraw/zinc/53/30/37/366533037.db2.gz XTANFPWLKSIMQP-UHFFFAOYSA-N -1 3 288.311 1.061 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(N3CCCC3)nc2)n1 ZINC000179377977 366533041 /nfs/dbraw/zinc/53/30/41/366533041.db2.gz XTANFPWLKSIMQP-UHFFFAOYSA-N -1 3 288.311 1.061 10 0 CDAEHM C[C@@H]1CC[C@@H](O)CN1C(=O)N=c1cc2ccccn2[n-]1 ZINC000643265626 359275271 /nfs/dbraw/zinc/27/52/71/359275271.db2.gz NCYHRRWQXNGHIO-ZYHUDNBSSA-N -1 3 274.324 1.133 10 0 CDAEHM O=C(NCc1ncccc1[O-])NCC1(C(F)(F)F)CC1 ZINC000347422698 359359541 /nfs/dbraw/zinc/35/95/41/359359541.db2.gz QCROKAPGJCHWSC-UHFFFAOYSA-N -1 3 289.257 1.929 10 0 CDAEHM Cc1cc(C(=O)N2CC[C@@](O)(C(F)F)C2)ccc1[O-] ZINC000334971866 359325919 /nfs/dbraw/zinc/32/59/19/359325919.db2.gz FSAOMVJLZPLZBO-ZDUSSCGKSA-N -1 3 271.263 1.543 10 0 CDAEHM O=C(NCCCN1CCCC1=O)c1cc([O-])ccc1Cl ZINC000277588677 366534178 /nfs/dbraw/zinc/53/41/78/366534178.db2.gz WMAVCDHUZMMDKR-UHFFFAOYSA-N -1 3 296.754 1.788 10 0 CDAEHM Cc1ccc([O-])c(CNc2ccc(CNC(N)=O)cc2)n1 ZINC000152918494 359561727 /nfs/dbraw/zinc/56/17/27/359561727.db2.gz SMRFIUXVMMNXFT-UHFFFAOYSA-N -1 3 286.335 1.876 10 0 CDAEHM CC(C)[C@@H]1C[C@@H](CNC(=O)Cc2cncc([O-])c2)CCO1 ZINC000580464429 359629816 /nfs/dbraw/zinc/62/98/16/359629816.db2.gz PHNWICUXUXCNKH-WFASDCNBSA-N -1 3 292.379 1.897 10 0 CDAEHM CSc1nnc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[n-]1 ZINC000266853162 363672264 /nfs/dbraw/zinc/67/22/64/363672264.db2.gz PVSDFYCBAANPNF-JIGDXULJSA-N -1 3 252.343 1.901 10 0 CDAEHM CSc1n[n-]c(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)n1 ZINC000266853162 363672271 /nfs/dbraw/zinc/67/22/71/363672271.db2.gz PVSDFYCBAANPNF-JIGDXULJSA-N -1 3 252.343 1.901 10 0 CDAEHM CSc1nc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)n[n-]1 ZINC000266853162 363672277 /nfs/dbraw/zinc/67/22/77/363672277.db2.gz PVSDFYCBAANPNF-JIGDXULJSA-N -1 3 252.343 1.901 10 0 CDAEHM CCS(=O)(=O)[N-]Cc1nc(-c2cc(C)cc(C)n2)no1 ZINC000356966059 366659783 /nfs/dbraw/zinc/65/97/83/366659783.db2.gz 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285.388 1.413 10 0 CDAEHM CN1CCC(NC(=O)N2CCCC[C@@H]2CC(=O)[O-])CC1 ZINC000040573757 174339707 /nfs/dbraw/zinc/33/97/07/174339707.db2.gz UGPPWLSEMGYFKL-GFCCVEGCSA-N -1 3 283.372 1.119 10 0 CDAEHM CO[C@@H]1CN[C@H](C(=O)Nc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000040637021 174361700 /nfs/dbraw/zinc/36/17/00/174361700.db2.gz UYOSOFRRLBWAMO-KWQFWETISA-N -1 3 298.726 1.354 10 0 CDAEHM COc1ccc(Cl)cc1Nc1nc[n-]c(=O)c1N ZINC000040702535 174378965 /nfs/dbraw/zinc/37/89/65/174378965.db2.gz KZLTVLGOMNVVLW-UHFFFAOYSA-N -1 3 266.688 1.758 10 0 CDAEHM CCC[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccccc1 ZINC000042814323 174885015 /nfs/dbraw/zinc/88/50/15/174885015.db2.gz PSLKPVXWYVBSBD-RYUDHWBXSA-N -1 3 289.335 1.242 10 0 CDAEHM CC[C@@H](C)N[C@H](C(N)=O)c1ccc([O-])c(Cl)c1 ZINC000043489279 175056551 /nfs/dbraw/zinc/05/65/51/175056551.db2.gz SACZIBONKCQOGG-HQJQHLMTSA-N -1 3 256.733 1.960 10 0 CDAEHM O=C([O-])c1cccc(NC(=O)N[C@H]2CCN(C3CC3)C2)c1 ZINC000044681056 175229329 /nfs/dbraw/zinc/22/93/29/175229329.db2.gz 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/nfs/dbraw/zinc/33/20/75/424332075.db2.gz RPFUITFUFZDBMG-GHMZBOCLSA-N -1 3 287.385 1.046 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2C[C@]3(C)COC[C@]3(C)C2)n1 ZINC000661490547 424438674 /nfs/dbraw/zinc/43/86/74/424438674.db2.gz NSWCKSKUBFWAIL-GASCZTMLSA-N -1 3 277.368 1.603 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2C(=O)[C@H]2CCC(C)(C)C2)nc1=N ZINC000519705467 265558354 /nfs/dbraw/zinc/55/83/54/265558354.db2.gz NDDZCPGINZEFIP-WDEREUQCSA-N -1 3 291.399 1.717 10 0 CDAEHM O=C(NCC[C@H]1CCCOC1)c1ccc(O)cc1[O-] ZINC000529596443 271000215 /nfs/dbraw/zinc/00/02/15/271000215.db2.gz CKDFTHIHEFUZEX-SNVBAGLBSA-N -1 3 265.309 1.644 10 0 CDAEHM Cc1ccc(NC(=O)c2cc(=O)[n-]c(N(C)C)n2)nc1 ZINC000361486275 278833564 /nfs/dbraw/zinc/83/35/64/278833564.db2.gz UEBSUMOMEHJFDB-UHFFFAOYSA-N -1 3 273.296 1.204 10 0 CDAEHM CCc1[nH]nc([N-]C(=O)c2cc(OC)no2)c1C ZINC000139310401 279858361 /nfs/dbraw/zinc/85/83/61/279858361.db2.gz RAKQZPVOQRUVTK-UHFFFAOYSA-N -1 3 250.258 1.529 10 0 CDAEHM CC[C@@H](NC(=O)c1cc(OC)ccc1[O-])[C@H](O)C(F)F 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C[C@@H](Oc1cccc(CO)c1)C(=O)Nc1ncccc1[O-] ZINC000159158384 289327291 /nfs/dbraw/zinc/32/72/91/289327291.db2.gz QEIZSNLCGAKWIT-SNVBAGLBSA-N -1 3 288.303 1.686 10 0 CDAEHM COc1cc(=NC(=O)N2CCc3ccsc3C2)[n-]n1C ZINC000547844362 289816314 /nfs/dbraw/zinc/81/63/14/289816314.db2.gz BMEOQMGUTJVERP-UHFFFAOYSA-N -1 3 292.364 1.502 10 0 CDAEHM CC[C@H](NC(=O)N=c1cc(OC)n(C)[n-]1)c1ccncc1 ZINC000548167161 289853474 /nfs/dbraw/zinc/85/34/74/289853474.db2.gz BRSLZGVAVGCYHI-NSHDSACASA-N -1 3 289.339 1.518 10 0 CDAEHM COCc1nc(C(=O)Nc2nc(C)ccc2[O-])co1 ZINC000548186509 289855557 /nfs/dbraw/zinc/85/55/57/289855557.db2.gz GZABFKLXWRZIFE-UHFFFAOYSA-N -1 3 263.253 1.482 10 0 CDAEHM Cn1[n-]c(CN[C@@H]2CCCC[C@H]2c2ccccc2)nc1=O ZINC000548211158 289858052 /nfs/dbraw/zinc/85/80/52/289858052.db2.gz LAUILFVLBSQZNR-UONOGXRCSA-N -1 3 286.379 1.924 10 0 CDAEHM COc1cc(=NC(=O)CCSc2ccccn2)[n-]n1C ZINC000548472662 289892112 /nfs/dbraw/zinc/89/21/12/289892112.db2.gz XSBDHLBVOIWASC-UHFFFAOYSA-N -1 3 292.364 1.367 10 0 CDAEHM 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CDAEHM O=C(N=c1cc2ccccn2[n-]1)N[C@@H]1CCC[C@H](CO)C1 ZINC000561139836 293053476 /nfs/dbraw/zinc/05/34/76/293053476.db2.gz RNOSBOLHXQQSSX-NWDGAFQWSA-N -1 3 288.351 1.429 10 0 CDAEHM O=S(=O)([N-]C[C@@H](O)C1CCCCC1)c1cscn1 ZINC000565419690 293607972 /nfs/dbraw/zinc/60/79/72/293607972.db2.gz ZHTLVMLQTWLULB-SNVBAGLBSA-N -1 3 290.410 1.363 10 0 CDAEHM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cscn1 ZINC000567265299 293748925 /nfs/dbraw/zinc/74/89/25/293748925.db2.gz JARSVSCNHUPNIB-BDAKNGLRSA-N -1 3 276.383 1.237 10 0 CDAEHM Cc1ccc(-c2nnc(NC(=O)c3cn4c(n3)CCC4)[n-]2)o1 ZINC000568515013 294051330 /nfs/dbraw/zinc/05/13/30/294051330.db2.gz BCBACKJOVLJQKD-UHFFFAOYSA-N -1 3 298.306 1.768 10 0 CDAEHM Cc1ccc(-c2n[n-]c(NC(=O)c3cn4c(n3)CCC4)n2)o1 ZINC000568515013 294051333 /nfs/dbraw/zinc/05/13/33/294051333.db2.gz BCBACKJOVLJQKD-UHFFFAOYSA-N -1 3 298.306 1.768 10 0 CDAEHM Cc1ccc(-c2nc(NC(=O)c3cn4c(n3)CCC4)n[n-]2)o1 ZINC000568515013 294051335 /nfs/dbraw/zinc/05/13/35/294051335.db2.gz BCBACKJOVLJQKD-UHFFFAOYSA-N 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CN1CCN(CCN=c2[n-]cc(C(F)(F)F)s2)CC1 ZINC000357685438 523901921 /nfs/dbraw/zinc/90/19/21/523901921.db2.gz DQHYPXIZNNUUEA-UHFFFAOYSA-N -1 3 294.346 1.243 10 0 CDAEHM COCCO[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000062577997 524028643 /nfs/dbraw/zinc/02/86/43/524028643.db2.gz WSRKADSLFFQDTB-UHFFFAOYSA-N -1 3 265.718 1.196 10 0 CDAEHM C[C@](N)(C(=O)N1CCC(CCC(=O)[O-])CC1)C1CC1 ZINC000050927788 525141912 /nfs/dbraw/zinc/14/19/12/525141912.db2.gz UHEWDEKESNWWTA-CQSZACIVSA-N -1 3 268.357 1.217 10 0 CDAEHM C[C@@H]1C[C@@H]1[N-]S(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000052272218 525331257 /nfs/dbraw/zinc/33/12/57/525331257.db2.gz GSPGJJLZFNGQQV-XRGYYRRGSA-N -1 3 278.736 1.748 10 0 CDAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)N)cc2)n1 ZINC000155745158 526117033 /nfs/dbraw/zinc/11/70/33/526117033.db2.gz YVONCPYCVRTNLK-SECBINFHSA-N -1 3 272.308 1.031 10 0 CDAEHM C[C@@H](C(=O)N(C)C(C)(C)C(=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC000061151252 526238760 /nfs/dbraw/zinc/23/87/60/526238760.db2.gz ACDTYFQEXBFPFM-AXFHLTTASA-N -1 3 270.373 1.569 10 0 CDAEHM C[C@H]1CCCN(C(=O)N2CCCN(CC(=O)[O-])CC2)[C@H]1C ZINC000061146374 526265300 /nfs/dbraw/zinc/26/53/00/526265300.db2.gz GOYIYWTVNQGTLE-STQMWFEESA-N -1 3 297.399 1.319 10 0 CDAEHM Fc1ccc(Cc2nnn[n-]2)cc1Br ZINC000049596677 526344484 /nfs/dbraw/zinc/34/44/84/526344484.db2.gz OKHNOEMOAUDHRN-UHFFFAOYSA-N -1 3 257.066 1.692 10 0 CDAEHM Fc1ccc(Cc2nn[n-]n2)cc1Br ZINC000049596677 526344487 /nfs/dbraw/zinc/34/44/87/526344487.db2.gz OKHNOEMOAUDHRN-UHFFFAOYSA-N -1 3 257.066 1.692 10 0 CDAEHM CC(=O)N1CCN(Cc2nc(C)ccc2[O-])[C@H](C)C1 ZINC000271176784 526631394 /nfs/dbraw/zinc/63/13/94/526631394.db2.gz KAYVCAYIJNEQQD-LLVKDONJSA-N -1 3 263.341 1.148 10 0 CDAEHM O=S(=O)(NC[C@@H]1CCCS1)c1ccc([O-])cc1 ZINC000150065591 527223758 /nfs/dbraw/zinc/22/37/58/527223758.db2.gz GKHSOLMENQEDJH-JTQLQIEISA-N -1 3 273.379 1.566 10 0 CDAEHM Nc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cn1 ZINC000050633609 527499828 /nfs/dbraw/zinc/49/98/28/527499828.db2.gz MYOUVKWKDQDIKD-UHFFFAOYSA-N -1 3 285.275 1.743 10 0 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/nfs/dbraw/zinc/22/35/57/754223557.db2.gz BERBRVRWHBKOPU-PSASIEDQSA-N -1 3 257.359 1.498 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C)O2)nn1 ZINC000867516400 754339071 /nfs/dbraw/zinc/33/90/71/754339071.db2.gz CPIBELRDEUWZDM-WDEREUQCSA-N -1 3 285.369 1.021 10 0 CDAEHM CNC(=O)c1cccc(CCC(=O)[N-]OC/C=C\Cl)c1 ZINC000812397336 754632617 /nfs/dbraw/zinc/63/26/17/754632617.db2.gz DQVCQSWWBZVWDA-BAQGIRSFSA-N -1 3 296.754 1.779 10 0 CDAEHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccoc2)c(C)o1 ZINC000162848251 754667528 /nfs/dbraw/zinc/66/75/28/754667528.db2.gz MQVXSUWYGUXQJG-UHFFFAOYSA-N -1 3 299.304 1.446 10 0 CDAEHM CCC/C=C/C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000794210176 754682159 /nfs/dbraw/zinc/68/21/59/754682159.db2.gz JENXCGMJQKLJBJ-VOTSOKGWSA-N -1 3 289.335 1.877 10 0 CDAEHM CCOc1nnc(NC(=O)COc2ccc(C)cc2C)[n-]1 ZINC000228788779 754776471 /nfs/dbraw/zinc/77/64/71/754776471.db2.gz BGGJCXQQHXSKAO-UHFFFAOYSA-N -1 3 290.323 1.838 10 0 CDAEHM CCOc1nc(NC(=O)COc2ccc(C)cc2C)n[n-]1 ZINC000228788779 754776477 /nfs/dbraw/zinc/77/64/77/754776477.db2.gz BGGJCXQQHXSKAO-UHFFFAOYSA-N -1 3 290.323 1.838 10 0 CDAEHM CCOc1n[n-]c(NC(=O)COc2ccc(C)cc2C)n1 ZINC000228788779 754776483 /nfs/dbraw/zinc/77/64/83/754776483.db2.gz BGGJCXQQHXSKAO-UHFFFAOYSA-N -1 3 290.323 1.838 10 0 CDAEHM O=C([N-]CCCSCCSCCO)C(F)(F)F ZINC000783604813 754830769 /nfs/dbraw/zinc/83/07/69/754830769.db2.gz PASHJUPGPDNBIY-UHFFFAOYSA-N -1 3 291.360 1.514 10 0 CDAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CCCCC1CC1 ZINC000867783624 754967768 /nfs/dbraw/zinc/96/77/68/754967768.db2.gz PZVRESUILKRBCG-MRXNPFEDSA-N -1 3 282.431 1.519 10 0 CDAEHM Cc1nc(F)ccc1CNC1(c2nn[n-]n2)CCCC1 ZINC000787265555 755109686 /nfs/dbraw/zinc/10/96/86/755109686.db2.gz FDOGNMRSCSKPAJ-UHFFFAOYSA-N -1 3 276.319 1.601 10 0 CDAEHM COC(=O)[C@]12C[C@H]1C[C@H]([N-]C(=O)C(F)(F)C(F)F)C2 ZINC000871557380 755339525 /nfs/dbraw/zinc/33/95/25/755339525.db2.gz HEOJJHBYTKGTKP-KORWRZNCSA-N -1 3 283.221 1.345 10 0 CDAEHM CCN1CC[C@H]1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000712290846 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O=C(OCc1cc(=O)[n-]c(C2CC2)n1)C1CCC(=O)CC1 ZINC000837564774 755733988 /nfs/dbraw/zinc/73/39/88/755733988.db2.gz BKNHYXACUHTIBX-UHFFFAOYSA-N -1 3 290.319 1.862 10 0 CDAEHM COc1nnc(NC(=O)c2cccc(Cl)n2)[n-]1 ZINC000126802774 755777045 /nfs/dbraw/zinc/77/70/45/755777045.db2.gz AHSUEXJZGPLSBI-UHFFFAOYSA-N -1 3 253.649 1.114 10 0 CDAEHM COc1nc(NC(=O)c2cccc(Cl)n2)n[n-]1 ZINC000126802774 755777060 /nfs/dbraw/zinc/77/70/60/755777060.db2.gz AHSUEXJZGPLSBI-UHFFFAOYSA-N -1 3 253.649 1.114 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cccc(Cl)n2)n1 ZINC000126802774 755777067 /nfs/dbraw/zinc/77/70/67/755777067.db2.gz AHSUEXJZGPLSBI-UHFFFAOYSA-N -1 3 253.649 1.114 10 0 CDAEHM O=C(N[C@H]1CCn2cncc21)c1cc2c(cc1[O-])OCO2 ZINC000857982076 755809572 /nfs/dbraw/zinc/80/95/72/755809572.db2.gz FAAYAXRDUKTQAP-VIFPVBQESA-N -1 3 287.275 1.192 10 0 CDAEHM Cc1nc(N[C@@H]2CCN(C3CCC3)C2=O)cc(=O)[n-]1 ZINC000708973103 755839870 /nfs/dbraw/zinc/83/98/70/755839870.db2.gz WOPBQJLDJHSDPE-SNVBAGLBSA-N -1 3 262.313 1.056 10 0 CDAEHM Cn1ncc(CNC(=O)c2cc([O-])ccc2Cl)n1 ZINC000389856696 755841859 /nfs/dbraw/zinc/84/18/59/755841859.db2.gz AFCKFUKAXPXKCA-UHFFFAOYSA-N -1 3 266.688 1.104 10 0 CDAEHM Cc1nc(C)c(CC(=O)NC2CC(C)(C)C2)c(=O)[n-]1 ZINC000856337875 755912676 /nfs/dbraw/zinc/91/26/76/755912676.db2.gz LTBFRLGYMRFFKE-UHFFFAOYSA-N -1 3 263.341 1.646 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCc3nc[nH]c3C23CCC3)n1 ZINC000931678494 755979935 /nfs/dbraw/zinc/97/99/35/755979935.db2.gz IJHZDVBAARBNGA-UHFFFAOYSA-N -1 3 285.351 1.651 10 0 CDAEHM C[C@@H]1[C@@H](NC(=O)c2cc(F)c([O-])c(F)c2)CCN1C ZINC000928435496 756076567 /nfs/dbraw/zinc/07/65/67/756076567.db2.gz GSIMJGGMUJNNGR-HQJQHLMTSA-N -1 3 270.279 1.493 10 0 CDAEHM CCC[C@](C)(NCc1nccn1C1CC1)C(=O)[O-] ZINC000711741082 756097608 /nfs/dbraw/zinc/09/76/08/756097608.db2.gz ZLDXSBRGDNGVPQ-ZDUSSCGKSA-N -1 3 251.330 1.951 10 0 CDAEHM O=S(=O)([N-][C@@H](c1ncccn1)C1CC1)c1cscn1 ZINC000921416972 756125029 /nfs/dbraw/zinc/12/50/29/756125029.db2.gz TYQPWGZQOYNHLA-SNVBAGLBSA-N -1 3 296.377 1.363 10 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CDAEHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(CO)nc1 ZINC001290404283 954046111 /nfs/dbraw/zinc/04/61/11/954046111.db2.gz CHRFFSBAIFGKFI-UHFFFAOYSA-N -1 3 296.290 1.006 10 0 CDAEHM O=C(Nc1nc(C(F)(F)F)cs1)c1ns[n-]c1=O ZINC001364038959 954150812 /nfs/dbraw/zinc/15/08/12/954150812.db2.gz PFRMARVMQVFVPQ-UHFFFAOYSA-N -1 3 296.255 1.971 10 0 CDAEHM C[C@H](NC(=O)C[C@@H]1CCCO1)c1nc(C(F)(F)F)n[n-]1 ZINC001364309061 954450373 /nfs/dbraw/zinc/45/03/73/954450373.db2.gz JBITWWAXSCOPDK-BQBZGAKWSA-N -1 3 292.261 1.570 10 0 CDAEHM COc1nnc(NC(=O)c2ncccc2SC)[n-]1 ZINC001295098133 954607888 /nfs/dbraw/zinc/60/78/88/954607888.db2.gz LJOAFTYMGNIIGQ-UHFFFAOYSA-N -1 3 265.298 1.183 10 0 CDAEHM COc1nc(NC(=O)c2ncccc2SC)n[n-]1 ZINC001295098133 954607897 /nfs/dbraw/zinc/60/78/97/954607897.db2.gz LJOAFTYMGNIIGQ-UHFFFAOYSA-N -1 3 265.298 1.183 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ncccc2SC)n1 ZINC001295098133 954607903 /nfs/dbraw/zinc/60/79/03/954607903.db2.gz LJOAFTYMGNIIGQ-UHFFFAOYSA-N -1 3 265.298 1.183 10 0 CDAEHM O=c1[n-]c(C2CC2)nc2c1CN(Cc1csnn1)C2 ZINC001364498350 954692793 /nfs/dbraw/zinc/69/27/93/954692793.db2.gz CELSFRCKRBSKGQ-UHFFFAOYSA-N -1 3 275.337 1.427 10 0 CDAEHM O=C(Nc1cc(F)ccc1[O-])c1cccn2nnnc12 ZINC001295971351 954777946 /nfs/dbraw/zinc/77/79/46/954777946.db2.gz BTIDENOYQYSAFS-UHFFFAOYSA-N -1 3 273.227 1.221 10 0 CDAEHM CCCC[C@H](O)CCC(=O)[N-]OC[C@@H]1CCOC1 ZINC001296584933 954885032 /nfs/dbraw/zinc/88/50/32/954885032.db2.gz KTLJQDXHNRESIG-NEPJUHHUSA-N -1 3 259.346 1.402 10 0 CDAEHM C[C@@H](NC(=O)c1cnn(C)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001365022811 955511760 /nfs/dbraw/zinc/51/17/60/955511760.db2.gz DSPKFHVWOIKVFD-RXMQYKEDSA-N -1 3 288.233 1.048 10 0 CDAEHM CCOc1nnc(NC(=O)c2ccc3cnccc3n2)[n-]1 ZINC001302692864 956024037 /nfs/dbraw/zinc/02/40/37/956024037.db2.gz QAJHVBABCBBUEL-UHFFFAOYSA-N -1 3 284.279 1.399 10 0 CDAEHM CCOc1nc(NC(=O)c2ccc3cnccc3n2)n[n-]1 ZINC001302692864 956024050 /nfs/dbraw/zinc/02/40/50/956024050.db2.gz QAJHVBABCBBUEL-UHFFFAOYSA-N -1 3 284.279 1.399 10 0 CDAEHM 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/nfs/dbraw/zinc/45/81/66/362458166.db2.gz SQHSYAZASQFYJS-UHFFFAOYSA-N -1 3 253.352 1.380 10 0 CDAEHM CC1(C)COC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000313065384 260243014 /nfs/dbraw/zinc/24/30/14/260243014.db2.gz MYLAMJIXGZPBKI-LLVKDONJSA-N -1 3 251.282 1.253 10 0 CDAEHM O=C(N[C@@H](CO)C1CCC1)c1c[n-]nc1-c1ccccn1 ZINC000617313979 345148397 /nfs/dbraw/zinc/14/83/97/345148397.db2.gz VEXKLLLZCKTADY-ZDUSSCGKSA-N -1 3 286.335 1.363 10 0 CDAEHM COc1cc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)ccc1[O-] ZINC000617443210 345537461 /nfs/dbraw/zinc/53/74/61/345537461.db2.gz WXNTYQQVAVTKTB-WCBMZHEXSA-N -1 3 288.307 1.428 10 0 CDAEHM CCc1cc(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)ccc1[O-] ZINC000617448002 345542485 /nfs/dbraw/zinc/54/24/85/345542485.db2.gz UKKPDGBOYXKPTF-SKDRFNHKSA-N -1 3 286.335 1.982 10 0 CDAEHM O=C(NC/C=C/CO)c1cc2c(cc1[O-])CCCC2 ZINC000617686938 345910737 /nfs/dbraw/zinc/91/07/37/345910737.db2.gz RTIUVMKXKUBRDC-ONEGZZNKSA-N -1 3 261.321 1.549 10 0 CDAEHM CCCC[C@@H](N)C(=O)N[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000085324585 179017898 /nfs/dbraw/zinc/01/78/98/179017898.db2.gz QOKSWNCTBSUIOE-AXFHLTTASA-N -1 3 256.346 1.264 10 0 CDAEHM CN(C(=O)N[C@H]1CCCC[C@@H]1C(=O)[O-])C1CCN(C)CC1 ZINC000085332747 179022023 /nfs/dbraw/zinc/02/20/23/179022023.db2.gz OIVOBUUIUSRUAL-STQMWFEESA-N -1 3 297.399 1.365 10 0 CDAEHM COc1ccc(-c2nc(C)c(CCO)c(=O)[n-]2)cc1OC ZINC000085403938 179052931 /nfs/dbraw/zinc/05/29/31/179052931.db2.gz FJSKQKQUBNMVHM-UHFFFAOYSA-N -1 3 290.319 1.297 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2CCNC[C@@](C)(F)C2)cc1[O-] ZINC000584590102 346367690 /nfs/dbraw/zinc/36/76/90/346367690.db2.gz LJVOTKSLSWTXCR-OAHLLOKOSA-N -1 3 294.326 1.368 10 0 CDAEHM CC(C)c1nc(CN2CCC3(CC2)OCCO3)cc(=O)[n-]1 ZINC000075551854 346733456 /nfs/dbraw/zinc/73/34/56/346733456.db2.gz MZISXPDALCVOIH-UHFFFAOYSA-N -1 3 293.367 1.232 10 0 biogenic CDAEHM CCO[C@@H]1C[C@H](NCc2nc(C)ccc2[O-])[C@H]1OC ZINC000274963580 365871428 /nfs/dbraw/zinc/87/14/28/365871428.db2.gz VACBKWOVGVUGRJ-ZLKJLUDKSA-N -1 3 266.341 1.378 10 0 CDAEHM COc1ccc2nc(NC(=O)[C@H](N)CC(=O)[O-])sc2c1 ZINC000085811167 179177706 /nfs/dbraw/zinc/17/77/06/179177706.db2.gz LKMVSUWUVPOYCZ-SSDOTTSWSA-N -1 3 295.320 1.045 10 0 CDAEHM CCCOc1ccccc1NC(=O)[C@H](N)CC(=O)[O-] ZINC000085812922 179178067 /nfs/dbraw/zinc/17/80/67/179178067.db2.gz HOYVWZDYECWEEN-SECBINFHSA-N -1 3 266.297 1.216 10 0 CDAEHM COc1c(C)ccc(NC(=O)[C@H](N)CCC(=O)[O-])c1C ZINC000085819137 179182085 /nfs/dbraw/zinc/18/20/85/179182085.db2.gz DLQACBSOVSALMJ-SNVBAGLBSA-N -1 3 280.324 1.443 10 0 CDAEHM CCCCN(C(=O)[C@@H](N)CCC(=O)[O-])[C@H](C)CC ZINC000085839150 179184630 /nfs/dbraw/zinc/18/46/30/179184630.db2.gz SZJXAPCMDGIMBH-MNOVXSKESA-N -1 3 258.362 1.606 10 0 CDAEHM CCc1ccc(N(C)C(=O)[C@@H](N)CCC(=O)[O-])cc1 ZINC000085843733 179185727 /nfs/dbraw/zinc/18/57/27/179185727.db2.gz DMJYUUCUGMEFNU-LBPRGKRZSA-N -1 3 264.325 1.404 10 0 CDAEHM Cc1ccc(N(C)C(=O)[C@@H](N)CCC(=O)[O-])c(C)c1 ZINC000085843748 179186123 /nfs/dbraw/zinc/18/61/23/179186123.db2.gz URIBOSUYRQBYKJ-NSHDSACASA-N -1 3 264.325 1.458 10 0 CDAEHM CC(C)(C(=O)NCc1ccc([O-])c(F)c1)n1cccn1 ZINC000612633495 347230563 /nfs/dbraw/zinc/23/05/63/347230563.db2.gz WLDGVNWLBYFPLB-UHFFFAOYSA-N -1 3 277.299 1.779 10 0 CDAEHM Cc1cccc([O-])c1NC(=O)c1cnc2n1CCOC2 ZINC000613208013 347484357 /nfs/dbraw/zinc/48/43/57/347484357.db2.gz SOWKXZGJZTYHSJ-UHFFFAOYSA-N -1 3 273.292 1.680 10 0 CDAEHM c1cn2c(CNCc3cnn[n-]3)c(C3CC3)nc2s1 ZINC000623578209 347642654 /nfs/dbraw/zinc/64/26/54/347642654.db2.gz ZZAKMLXCEXOQGZ-UHFFFAOYSA-N -1 3 274.353 1.681 10 0 CDAEHM CO[C@@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)CCO1 ZINC000613814564 347907520 /nfs/dbraw/zinc/90/75/20/347907520.db2.gz FPYWVEZCAJOQNY-AWEZNQCLSA-N -1 3 291.347 1.716 10 0 CDAEHM CC(C)(C)c1ccc(NC(=O)[C@@H]2CCNC2=O)c([O-])c1 ZINC000614488070 348125422 /nfs/dbraw/zinc/12/54/22/348125422.db2.gz IOXZVXODBOZISC-SNVBAGLBSA-N -1 3 276.336 1.764 10 0 CDAEHM CO[C@H](C(=O)[N-]c1nncn1C1CC1)C1CCC1 ZINC000614581486 348162530 /nfs/dbraw/zinc/16/25/30/348162530.db2.gz IQZUYJXBLKJMTE-JTQLQIEISA-N -1 3 250.302 1.367 10 0 CDAEHM O=C(N[C@H]1C[C@H](O)C12CCC2)c1ccc(O)cc1[O-] ZINC000619077188 348182306 /nfs/dbraw/zinc/18/23/06/348182306.db2.gz FGVSIMSOJPZYRJ-RYUDHWBXSA-N -1 3 263.293 1.131 10 0 CDAEHM CC[C@@H](CC(F)F)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000614997358 348299132 /nfs/dbraw/zinc/29/91/32/348299132.db2.gz UYWVCMQAICNEHX-YFKPBYRVSA-N -1 3 258.232 1.072 10 0 CDAEHM CCc1cc(C(=O)N2Cc3c[nH]nc3C2)ccc1[O-] ZINC000615133958 348352737 /nfs/dbraw/zinc/35/27/37/348352737.db2.gz FSFPUWGYGRLQNI-UHFFFAOYSA-N -1 3 257.293 1.834 10 0 CDAEHM CC(C)c1ccc(C(=O)N[C@H](C)Cn2cncn2)c([O-])c1 ZINC000068086666 349049422 /nfs/dbraw/zinc/04/94/22/349049422.db2.gz HUIHBPLYEZMZEI-LLVKDONJSA-N -1 3 288.351 1.926 10 0 CDAEHM C[C@@H](c1cccs1)c1noc(CN2CC(=O)[N-]C2=O)n1 ZINC000273986879 192390526 /nfs/dbraw/zinc/39/05/26/192390526.db2.gz VKYNJAKZYHPRLI-ZETCQYMHSA-N -1 3 292.320 1.335 10 0 CDAEHM O=C(NCc1ccc([O-])c2ncccc12)[C@@H]1CCNC(=O)C1 ZINC000616024405 349252089 /nfs/dbraw/zinc/25/20/89/349252089.db2.gz BQXOMMUUKBGUFZ-SNVBAGLBSA-N -1 3 299.330 1.083 10 0 CDAEHM COC(C)(C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616024889 349252685 /nfs/dbraw/zinc/25/26/85/349252685.db2.gz GXSRLPHTXKYPBB-UHFFFAOYSA-N -1 3 274.320 1.982 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1 ZINC000618263122 349418443 /nfs/dbraw/zinc/41/84/43/349418443.db2.gz BKSFRZNWLPZDPR-MSRIBSCDSA-N -1 3 279.336 1.490 10 0 CDAEHM CCCCCS(=O)(=O)[N-][C@]1(C(=O)OC)CCSC1 ZINC000352942610 282689596 /nfs/dbraw/zinc/68/95/96/282689596.db2.gz OWSAIXHXDRLCKZ-LLVKDONJSA-N -1 3 295.426 1.145 10 0 CDAEHM CC(C)C[C@H](CN(C)C)NC(=O)c1cncc([O-])c1 ZINC000109040921 186241138 /nfs/dbraw/zinc/24/11/38/186241138.db2.gz LKIZPASTACWHQR-GFCCVEGCSA-N -1 3 265.357 1.493 10 0 CDAEHM Cc1cc(-c2nc(C(=O)[N-]c3nncn3C)co2)ccn1 ZINC000622512334 351202065 /nfs/dbraw/zinc/20/20/65/351202065.db2.gz FFEUJYTZRQKAFE-UHFFFAOYSA-N -1 3 284.279 1.426 10 0 CDAEHM Cc1ccc([C@H](C)N(C)C(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000264861705 363173362 /nfs/dbraw/zinc/17/33/62/363173362.db2.gz PJXHSRHPKXYSPB-NSHDSACASA-N -1 3 289.335 1.066 10 0 CDAEHM CSCc1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000264745473 363140752 /nfs/dbraw/zinc/14/07/52/363140752.db2.gz HGWYXVIZSUXQAS-UHFFFAOYSA-N -1 3 293.348 1.040 10 0 CDAEHM N[C@H](CO)c1ccc(Br)cc1C(=O)[O-] ZINC000072199284 303480885 /nfs/dbraw/zinc/48/08/85/303480885.db2.gz WFBLVRQEXNULGX-MRVPVSSYSA-N -1 3 260.087 1.139 10 0 CDAEHM O=C(N[C@H]1COc2ccccc21)c1ccc(O)cc1[O-] ZINC000194861335 363241076 /nfs/dbraw/zinc/24/10/76/363241076.db2.gz PZGPSCRCESSYJJ-LBPRGKRZSA-N -1 3 271.272 1.961 10 0 CDAEHM Cc1nc(CS(=O)(=O)[N-][C@@H]2C[C@@H](C)O[C@H]2C)cs1 ZINC000632648383 363289093 /nfs/dbraw/zinc/28/90/93/363289093.db2.gz PGHRWPOEMRYXNT-VHSKPIJISA-N -1 3 290.410 1.437 10 0 CDAEHM C[C@H]1CSCCN1S(=O)(=O)c1ccc([O-])cc1 ZINC000070222956 291021716 /nfs/dbraw/zinc/02/17/16/291021716.db2.gz GNDUOGNVROLPNN-VIFPVBQESA-N -1 3 273.379 1.518 10 0 CDAEHM CC(C)(C)[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])C[C@@H]1O ZINC000272972488 192001896 /nfs/dbraw/zinc/00/18/96/192001896.db2.gz KZNPVHSALNRNHO-JSGCOSHPSA-N -1 3 293.363 1.967 10 0 CDAEHM CCc1ocnc1C(=O)[N-]c1n[nH]c(C2CCC2)n1 ZINC000273558915 192202620 /nfs/dbraw/zinc/20/26/20/192202620.db2.gz DUACDFKBCYBCSH-UHFFFAOYSA-N -1 3 261.285 1.875 10 0 CDAEHM COCCCn1ncc2ccc(OC)c(=O)c-2c1[O-] ZINC000634625290 356592514 /nfs/dbraw/zinc/59/25/14/356592514.db2.gz CQGSLMWGIIGSTK-UHFFFAOYSA-N -1 3 264.281 1.147 10 0 CDAEHM COCCCn1ncc2ccc(OC)c([O-])c2c1=O ZINC000634625290 356592517 /nfs/dbraw/zinc/59/25/17/356592517.db2.gz CQGSLMWGIIGSTK-UHFFFAOYSA-N -1 3 264.281 1.147 10 0 CDAEHM COc1ccc(Br)c2c1CN[C@@H](C(=O)[O-])C2 ZINC000725255939 538451786 /nfs/dbraw/zinc/45/17/86/538451786.db2.gz QBNWTMDFDSXROM-SECBINFHSA-N -1 3 286.125 1.557 10 0 CDAEHM O=S(=O)([N-][C@@H]1CCC[C@H](C(F)(F)F)C1)c1c[nH]cn1 ZINC000070417744 356890503 /nfs/dbraw/zinc/89/05/03/356890503.db2.gz SEJUAROBJUOTPN-JGVFFNPUSA-N -1 3 297.302 1.809 10 0 CDAEHM COC(=O)c1cc2[n-]nc(C=O)c2c(Br)c1 ZINC000014983004 357323243 /nfs/dbraw/zinc/32/32/43/357323243.db2.gz HZPQUOCOSRXTMS-UHFFFAOYSA-N -1 3 283.081 1.925 10 0 CDAEHM COC(=O)c1cc2n[n-]c(C=O)c2c(Br)c1 ZINC000014983004 357323245 /nfs/dbraw/zinc/32/32/45/357323245.db2.gz HZPQUOCOSRXTMS-UHFFFAOYSA-N -1 3 283.081 1.925 10 0 CDAEHM CO[C@@H]1COCC[C@@H]1CC(=O)[N-]OCc1ccccc1 ZINC000294335117 199003504 /nfs/dbraw/zinc/00/35/04/199003504.db2.gz IELRWRIORVGRKK-ZIAGYGMSSA-N -1 3 279.336 1.676 10 0 CDAEHM O=C1C[C@@]2(CCN(Cc3cccc([O-])c3Cl)C2)CN1 ZINC000294613226 199108138 /nfs/dbraw/zinc/10/81/38/199108138.db2.gz IRZAGQGTCDAMFB-AWEZNQCLSA-N -1 3 280.755 1.758 10 0 CDAEHM CCc1nnc(C[S@](=O)c2ccc([O-])cc2)n1C ZINC000194528380 358377305 /nfs/dbraw/zinc/37/73/05/358377305.db2.gz WSFWRDUHNPRVFD-SFHVURJKSA-N -1 3 265.338 1.391 10 0 CDAEHM CC(C)(C)[N-]S(=O)(=O)c1n[nH]c2ncccc21 ZINC000089224522 358397447 /nfs/dbraw/zinc/39/74/47/358397447.db2.gz QCFGZWQAQMOUDS-UHFFFAOYSA-N -1 3 254.315 1.035 10 0 CDAEHM COCCN(Cc1nc(C)ccc1[O-])CC(F)F ZINC000092965904 358575634 /nfs/dbraw/zinc/57/56/34/358575634.db2.gz DSIAKGOLNPHYRG-UHFFFAOYSA-N -1 3 260.284 1.809 10 0 CDAEHM CC(C)N(CCc1nccs1)C(=O)c1cc(=O)[n-]cn1 ZINC000626259323 358959403 /nfs/dbraw/zinc/95/94/03/358959403.db2.gz QLTAOVYJEVFYAM-UHFFFAOYSA-N -1 3 292.364 1.732 10 0 CDAEHM Cn1nnnc1[N-]c1ccc(Br)cn1 ZINC000218454177 359054770 /nfs/dbraw/zinc/05/47/70/359054770.db2.gz BGOFNXZJGBVRGL-UHFFFAOYSA-N -1 3 255.079 1.111 10 0 CDAEHM COC[C@@H](C)C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000162455229 359255462 /nfs/dbraw/zinc/25/54/62/359255462.db2.gz OEYLETTXHUBPPC-MRVPVSSYSA-N -1 3 291.307 1.571 10 0 CDAEHM COC[C@@H](C)C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000162455229 359255464 /nfs/dbraw/zinc/25/54/64/359255464.db2.gz OEYLETTXHUBPPC-MRVPVSSYSA-N -1 3 291.307 1.571 10 0 CDAEHM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cscn1 ZINC000572397859 359303240 /nfs/dbraw/zinc/30/32/40/359303240.db2.gz PEBMZZWBIKABHI-SECBINFHSA-N -1 3 298.389 1.758 10 0 CDAEHM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccnnc1 ZINC000154331413 237034758 /nfs/dbraw/zinc/03/47/58/237034758.db2.gz ZXSAQWMKYVNUQH-UHFFFAOYSA-N -1 3 275.215 1.599 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)N1CCC12CCOCC2 ZINC000365463223 359458539 /nfs/dbraw/zinc/45/85/39/359458539.db2.gz ITIGGXCHUKYTCG-UHFFFAOYSA-N -1 3 294.326 1.996 10 0 CDAEHM O=C(CCC1CCCC1)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297725474 200269751 /nfs/dbraw/zinc/26/97/51/200269751.db2.gz LVRSXGTZUYFFBO-UHFFFAOYSA-N -1 3 291.355 1.606 10 0 CDAEHM O=C(CCC1CCCC1)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297725474 200269752 /nfs/dbraw/zinc/26/97/52/200269752.db2.gz LVRSXGTZUYFFBO-UHFFFAOYSA-N -1 3 291.355 1.606 10 0 CDAEHM O=C(CCC1CCCC1)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297725474 200269755 /nfs/dbraw/zinc/26/97/55/200269755.db2.gz LVRSXGTZUYFFBO-UHFFFAOYSA-N -1 3 291.355 1.606 10 0 CDAEHM CCCCCS(=O)(=O)[N-]Cc1cc(OC)no1 ZINC000660014712 412694345 /nfs/dbraw/zinc/69/43/45/412694345.db2.gz WREHPUHHHVMLOQ-UHFFFAOYSA-N -1 3 262.331 1.293 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-][C@]23C[C@H]2COC3(C)C)s1 ZINC000528490672 359931382 /nfs/dbraw/zinc/93/13/82/359931382.db2.gz DAXFRSVZWXDQBJ-GZMMTYOYSA-N -1 3 288.394 1.297 10 0 CDAEHM COC[C@H](C)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119799251 359956209 /nfs/dbraw/zinc/95/62/09/359956209.db2.gz METKOURFIUSLDW-QMMMGPOBSA-N -1 3 263.301 1.031 10 0 CDAEHM COC[C@H](C)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119799251 359956216 /nfs/dbraw/zinc/95/62/16/359956216.db2.gz METKOURFIUSLDW-QMMMGPOBSA-N -1 3 263.301 1.031 10 0 CDAEHM Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])n1 ZINC000424423183 360051574 /nfs/dbraw/zinc/05/15/74/360051574.db2.gz UNHOQDYFKJBNRY-RNCFNFMXSA-N -1 3 264.325 1.781 10 0 CDAEHM Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])n1 ZINC000424423183 360051576 /nfs/dbraw/zinc/05/15/76/360051576.db2.gz UNHOQDYFKJBNRY-RNCFNFMXSA-N -1 3 264.325 1.781 10 0 CDAEHM COC(OC)[C@@H](C)[N-]C(=O)C(F)(F)c1ncccc1C ZINC000298315473 200393084 /nfs/dbraw/zinc/39/30/84/200393084.db2.gz JNRVPZUXKJMKQS-SECBINFHSA-N -1 3 288.294 1.605 10 0 CDAEHM 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/nfs/dbraw/zinc/72/58/93/360725893.db2.gz NZSFJHHKYCGZOE-BQBZGAKWSA-N -1 3 279.250 1.706 10 0 CDAEHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1C[C@@H]1C(F)F ZINC000338159608 360725896 /nfs/dbraw/zinc/72/58/96/360725896.db2.gz NZSFJHHKYCGZOE-BQBZGAKWSA-N -1 3 279.250 1.706 10 0 CDAEHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1C[C@@H]1C(F)F ZINC000338159608 360725900 /nfs/dbraw/zinc/72/59/00/360725900.db2.gz NZSFJHHKYCGZOE-BQBZGAKWSA-N -1 3 279.250 1.706 10 0 CDAEHM CC[C@H]1[C@H](CO)CCN1C(=O)c1cc(OC)ccc1[O-] ZINC000331338620 360747350 /nfs/dbraw/zinc/74/73/50/360747350.db2.gz WCWMBROTWDFFFA-GWCFXTLKSA-N -1 3 279.336 1.634 10 0 CDAEHM O=S(=O)([N-][C@H]1C[C@H]2CC[C@@H]1O2)c1ccccc1F ZINC000151022321 361168749 /nfs/dbraw/zinc/16/87/49/361168749.db2.gz PGLNAWHBZXVRRW-MIMYLULJSA-N -1 3 271.313 1.424 10 0 CDAEHM Nc1nccc([C@H]2CCCN(C(=O)c3ccccc3[O-])C2)n1 ZINC000366206617 361178359 /nfs/dbraw/zinc/17/83/59/361178359.db2.gz PCPUQXPGJPUFIF-NSHDSACASA-N -1 3 298.346 1.615 10 0 CDAEHM 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CDAEHM CCc1ccc(C(=O)N2CCN(CCO)C[C@H]2C)c([O-])c1 ZINC000457096040 363905725 /nfs/dbraw/zinc/90/57/25/363905725.db2.gz IUTBZEVEDRZXIK-GFCCVEGCSA-N -1 3 292.379 1.093 10 0 CDAEHM COC[C@@]1(C)CN(C(=O)c2cccc([O-])c2)CCO1 ZINC000629909961 364136417 /nfs/dbraw/zinc/13/64/17/364136417.db2.gz VSZDZTFNFVNKNS-CQSZACIVSA-N -1 3 265.309 1.270 10 0 CDAEHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H](C)CO)c(F)cc1F ZINC000269759930 364332651 /nfs/dbraw/zinc/33/26/51/364332651.db2.gz JNUNJBRPKPSPHE-BDAKNGLRSA-N -1 3 293.335 1.568 10 0 CDAEHM C/C=C/C[C@H]([N-]S(=O)(=O)N(C)CCC)C(=O)OCC ZINC000361419743 364515609 /nfs/dbraw/zinc/51/56/09/364515609.db2.gz HDUYMTNAYPVUDJ-BWNDKRECSA-N -1 3 292.401 1.061 10 0 CDAEHM CC(=O)[N-]C(=O)c1cccc(I)c1 ZINC000042418538 364585040 /nfs/dbraw/zinc/58/50/40/364585040.db2.gz HRIUTXXPKLDOBZ-UHFFFAOYSA-N -1 3 289.072 1.568 10 0 CDAEHM O=C(NC1(CO)CCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000053066980 364616298 /nfs/dbraw/zinc/61/62/98/364616298.db2.gz AAOCGNYSYVITFH-UHFFFAOYSA-N -1 3 286.331 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OSQBEBFACJGDFX-ZDUSSCGKSA-N -1 3 277.328 1.564 10 0 CDAEHM O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)c1c[n-]nn1 ZINC000530056713 368129916 /nfs/dbraw/zinc/12/99/16/368129916.db2.gz XGFOLXLCINCQBA-JFUSQASVSA-N -1 3 274.711 1.526 10 0 CDAEHM O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)c1cnn[n-]1 ZINC000530056713 368129920 /nfs/dbraw/zinc/12/99/20/368129920.db2.gz XGFOLXLCINCQBA-JFUSQASVSA-N -1 3 274.711 1.526 10 0 CDAEHM O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)c1cn[n-]n1 ZINC000530056713 368129923 /nfs/dbraw/zinc/12/99/23/368129923.db2.gz XGFOLXLCINCQBA-JFUSQASVSA-N -1 3 274.711 1.526 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000529984904 368104805 /nfs/dbraw/zinc/10/48/05/368104805.db2.gz VYESRNVFYKEYJP-OUDXYJABSA-N -1 3 292.314 1.639 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000529984904 368104807 /nfs/dbraw/zinc/10/48/07/368104807.db2.gz VYESRNVFYKEYJP-OUDXYJABSA-N -1 3 292.314 1.639 10 0 CDAEHM 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CC[C@H]([N-]S(=O)(=O)c1cscn1)[C@@H]1CCCO1 ZINC000572837975 371314661 /nfs/dbraw/zinc/31/46/61/371314661.db2.gz LMYSTKMSNCQPNL-IUCAKERBSA-N -1 3 276.383 1.379 10 0 CDAEHM CC[C@@H](NC(=O)c1ccccc1[O-])[C@H](O)C(F)F ZINC000295542049 371332041 /nfs/dbraw/zinc/33/20/41/371332041.db2.gz SKYJTPHXBRAACY-SCZZXKLOSA-N -1 3 259.252 1.527 10 0 CDAEHM CC1(C)CN(C(=O)/C=C/c2cncc([O-])c2)CCCO1 ZINC000376826354 371351045 /nfs/dbraw/zinc/35/10/45/371351045.db2.gz AJHKUBYVSJBQIH-SNAWJCMRSA-N -1 3 276.336 1.828 10 0 CDAEHM CC(F)(F)CCCNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000295672359 371399883 /nfs/dbraw/zinc/39/98/83/371399883.db2.gz XGUUTBIHZJLRGU-UHFFFAOYSA-N -1 3 296.273 1.735 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)s1)[C@@H](O)C(F)F ZINC000295696410 371409962 /nfs/dbraw/zinc/40/99/62/371409962.db2.gz JQGOZKJCPIILGC-IONNQARKSA-N -1 3 299.364 1.739 10 0 CDAEHM CCc1ccc(C(=O)NC[C@@H]2CCN(C(C)=O)C2)c([O-])c1 ZINC000573407726 371532701 /nfs/dbraw/zinc/53/27/01/371532701.db2.gz YFZRYFUHXKNXEM-ZDUSSCGKSA-N -1 3 290.363 1.553 10 0 CDAEHM CCN=c1[n-]c(C(=O)NCCC2(COC)CC2)cs1 ZINC000578654687 372534388 /nfs/dbraw/zinc/53/43/88/372534388.db2.gz CTQMGZJOOAQDJS-UHFFFAOYSA-N -1 3 283.397 1.543 10 0 CDAEHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1cscn1 ZINC000581605263 373124747 /nfs/dbraw/zinc/12/47/47/373124747.db2.gz VGYPSNYHZPVLLV-JTQLQIEISA-N -1 3 299.421 1.781 10 0 CDAEHM O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1cc(=O)[n-]cn1 ZINC000627331315 374277496 /nfs/dbraw/zinc/27/74/96/374277496.db2.gz SILUCBVLYCUTGR-TZMCWYRMSA-N -1 3 299.330 1.832 10 0 CDAEHM Cc1cccc(C(=O)NC[C@@]2(CCO)CCOC2)c1[O-] ZINC000119173718 541923160 /nfs/dbraw/zinc/92/31/60/541923160.db2.gz UGYQYCRDQFXPKT-OAHLLOKOSA-N -1 3 279.336 1.220 10 0 CDAEHM O=S(=O)([N-][C@@H](C1CC1)[C@H]1CCCCO1)c1ccccn1 ZINC000655627357 541949942 /nfs/dbraw/zinc/94/99/42/541949942.db2.gz TXHXGWGKNODNJG-OCCSQVGLSA-N -1 3 296.392 1.708 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-][C@H]2CCC[C@@H](CO)C2)s1 ZINC000336785089 374672565 /nfs/dbraw/zinc/67/25/65/374672565.db2.gz 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/nfs/dbraw/zinc/31/18/24/247311824.db2.gz AZVVPMLHISPTOJ-UHFFFAOYSA-N -1 3 254.240 1.577 10 0 CDAEHM O=C(NCCCCF)c1cc(F)cc2[n-]nnc21 ZINC000428475033 247311828 /nfs/dbraw/zinc/31/18/28/247311828.db2.gz AZVVPMLHISPTOJ-UHFFFAOYSA-N -1 3 254.240 1.577 10 0 CDAEHM O=C(NCCCCF)c1cc(F)cc2n[n-]nc21 ZINC000428475033 247311832 /nfs/dbraw/zinc/31/18/32/247311832.db2.gz AZVVPMLHISPTOJ-UHFFFAOYSA-N -1 3 254.240 1.577 10 0 CDAEHM C[C@@H](N)C(=O)Nc1cccc(Br)c1[O-] ZINC000133798174 375836977 /nfs/dbraw/zinc/83/69/77/375836977.db2.gz IZQAWIFXZJEVKR-RXMQYKEDSA-N -1 3 259.103 1.440 10 0 CDAEHM COc1ccc(NC(=O)[C@@]2(C)CCC(=O)NC2)c([O-])c1 ZINC000330391168 376080137 /nfs/dbraw/zinc/08/01/37/376080137.db2.gz OZPMQUDLBDPUNQ-AWEZNQCLSA-N -1 3 278.308 1.256 10 0 CDAEHM COCCC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000344581870 376581036 /nfs/dbraw/zinc/58/10/36/376581036.db2.gz QMOILNCOOIHBTB-UHFFFAOYSA-N -1 3 298.286 1.415 10 0 CDAEHM C[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631798728 376609098 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278.699 1.745 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)n1 ZINC000632258303 377198262 /nfs/dbraw/zinc/19/82/62/377198262.db2.gz XQHYOVJAVHGFKR-SECBINFHSA-N -1 3 278.699 1.745 10 0 CDAEHM Cc1ccsc1S(=O)(=O)[N-]C1(CF)CCOCC1 ZINC000334704184 377316292 /nfs/dbraw/zinc/31/62/92/377316292.db2.gz ZZSWDXKUTXPXFQ-UHFFFAOYSA-N -1 3 293.385 1.854 10 0 CDAEHM O=C(Cc1cnn2c1CCCC2)Nc1ncccc1[O-] ZINC000632400346 377397469 /nfs/dbraw/zinc/39/74/69/377397469.db2.gz PJTWMCNFBLBDME-UHFFFAOYSA-N -1 3 272.308 1.501 10 0 CDAEHM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccco1 ZINC000249409582 377432122 /nfs/dbraw/zinc/43/21/22/377432122.db2.gz XMURJRPCDSVPFM-CYZMBNFOSA-N -1 3 297.376 1.906 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)[C@@H]1CC1(C)C ZINC000632468513 377503599 /nfs/dbraw/zinc/50/35/99/377503599.db2.gz XBHQHLNFQOGIEP-YUMQZZPRSA-N -1 3 290.410 1.952 10 0 CDAEHM CC(C)[C@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)C1CC1 ZINC000632569223 377616623 /nfs/dbraw/zinc/61/66/23/377616623.db2.gz 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ZINC000119643599 390545633 /nfs/dbraw/zinc/54/56/33/390545633.db2.gz PLOIHYXAEDOHSR-MRVPVSSYSA-N -1 3 263.301 1.174 10 0 CDAEHM C[C@H]1CC[C@H](C(=O)Nc2nnc(-c3ccco3)[n-]2)O1 ZINC000152084456 390556703 /nfs/dbraw/zinc/55/67/03/390556703.db2.gz NDKQLJILUGNUTG-IONNQARKSA-N -1 3 262.269 1.571 10 0 CDAEHM C[C@H]1CC[C@H](C(=O)Nc2nc(-c3ccco3)n[n-]2)O1 ZINC000152084456 390556706 /nfs/dbraw/zinc/55/67/06/390556706.db2.gz NDKQLJILUGNUTG-IONNQARKSA-N -1 3 262.269 1.571 10 0 CDAEHM C[C@H]1CC[C@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)O1 ZINC000152084456 390556708 /nfs/dbraw/zinc/55/67/08/390556708.db2.gz NDKQLJILUGNUTG-IONNQARKSA-N -1 3 262.269 1.571 10 0 CDAEHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1CCCOCC1 ZINC000375745625 390817145 /nfs/dbraw/zinc/81/71/45/390817145.db2.gz RBQGMNCXTACRSO-LURJTMIESA-N -1 3 278.234 1.579 10 0 CDAEHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1CCCOCC1 ZINC000375745625 390817147 /nfs/dbraw/zinc/81/71/47/390817147.db2.gz RBQGMNCXTACRSO-LURJTMIESA-N -1 3 278.234 1.579 10 0 CDAEHM 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/nfs/dbraw/zinc/36/29/12/391362912.db2.gz MQGQVJBKLPMTDM-KGXJWFGYSA-N -1 3 293.367 1.060 10 0 CDAEHM CCc1nc2c(s1)[C@H](N(C)C[C@@](C)(O)C(=O)[O-])CCC2 ZINC000516976054 391432527 /nfs/dbraw/zinc/43/25/27/391432527.db2.gz SJTBORHGWOQWOE-QMTHXVAHSA-N -1 3 298.408 1.850 10 0 CDAEHM O=C(Nc1nnc(SCCO)[n-]1)c1ccoc1C1CC1 ZINC000281958332 391434874 /nfs/dbraw/zinc/43/48/74/391434874.db2.gz KEOIURIXVZICLV-UHFFFAOYSA-N -1 3 294.336 1.612 10 0 CDAEHM O=C(Nc1nc(SCCO)n[n-]1)c1ccoc1C1CC1 ZINC000281958332 391434877 /nfs/dbraw/zinc/43/48/77/391434877.db2.gz KEOIURIXVZICLV-UHFFFAOYSA-N -1 3 294.336 1.612 10 0 CDAEHM O=C(Nc1n[n-]c(SCCO)n1)c1ccoc1C1CC1 ZINC000281958332 391434878 /nfs/dbraw/zinc/43/48/78/391434878.db2.gz KEOIURIXVZICLV-UHFFFAOYSA-N -1 3 294.336 1.612 10 0 CDAEHM CC(=O)c1c(N)ccc([O-])c1I ZINC000575718945 391480354 /nfs/dbraw/zinc/48/03/54/391480354.db2.gz MKKKDYOLCDMJTG-UHFFFAOYSA-N -1 3 277.061 1.782 10 0 CDAEHM CCCN(C)S(=O)(=O)[N-]c1cc(C)cnc1OCC ZINC000451068698 391605131 /nfs/dbraw/zinc/60/51/31/391605131.db2.gz CCDKREIKYSFDCP-UHFFFAOYSA-N -1 3 287.385 1.787 10 0 CDAEHM CCCn1cc(CN[C@]2(C(=O)[O-])CCSC2)cn1 ZINC000417579984 391681316 /nfs/dbraw/zinc/68/13/16/391681316.db2.gz QJCMOHKSNWMLOF-GFCCVEGCSA-N -1 3 269.370 1.343 10 0 CDAEHM COCCOc1ncccc1[N-]S(=O)(=O)C1CC1 ZINC000341781871 130042420 /nfs/dbraw/zinc/04/24/20/130042420.db2.gz UZKJVZFYBCJGHF-UHFFFAOYSA-N -1 3 272.326 1.011 10 0 CDAEHM COc1ncncc1CN[C@]1(C(=O)[O-])CCC[C@H](C)C1 ZINC000647646976 391777445 /nfs/dbraw/zinc/77/74/45/391777445.db2.gz XJRIRYIDBLHKDL-IINYFYTJSA-N -1 3 279.340 1.608 10 0 CDAEHM O=C([N-]c1cnns1)C(=O)NCCC1=CCCC1 ZINC000192060082 130360911 /nfs/dbraw/zinc/36/09/11/130360911.db2.gz VZMWIZKZQUPKPI-UHFFFAOYSA-N -1 3 266.326 1.093 10 0 CDAEHM CC(C)SCC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000525967238 392007548 /nfs/dbraw/zinc/00/75/48/392007548.db2.gz YGXLVTQYYUSJLZ-SNVBAGLBSA-N -1 3 269.370 1.763 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)Cc2ccsc2)nc1=N ZINC000549721679 391957681 /nfs/dbraw/zinc/95/76/81/391957681.db2.gz VLUJJCRBMAPCQU-JTQLQIEISA-N -1 3 291.380 1.195 10 0 CDAEHM Cc1nn(C)c(C)c1CCNC(=O)c1ccc2n[n-]nc2c1 ZINC000192499805 392089632 /nfs/dbraw/zinc/08/96/32/392089632.db2.gz MXQFVQZQLYUMDF-UHFFFAOYSA-N -1 3 298.350 1.281 10 0 CDAEHM C[C@@H](C(=O)N1CCC(C)CC1)N(C)CCCC(=O)[O-] ZINC000430668010 392037626 /nfs/dbraw/zinc/03/76/26/392037626.db2.gz HCWGWCJCMWKOAZ-LBPRGKRZSA-N -1 3 270.373 1.430 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2cccc(O)c2)c[n-]1 ZINC000431268809 392177677 /nfs/dbraw/zinc/17/76/77/392177677.db2.gz GCEDIDYMSKDHIT-UHFFFAOYSA-N -1 3 260.249 1.759 10 0 CDAEHM CS(=O)(=O)[N-]c1ccccc1NC(=O)C1=COCCC1 ZINC000263934990 131364486 /nfs/dbraw/zinc/36/44/86/131364486.db2.gz WMIWLFLCYBLEQS-UHFFFAOYSA-N -1 3 296.348 1.691 10 0 CDAEHM COc1nnc(NC(=O)Cc2ccccc2F)[n-]1 ZINC000126783559 392588090 /nfs/dbraw/zinc/58/80/90/392588090.db2.gz KDHLYTCVLOZKOM-UHFFFAOYSA-N -1 3 250.233 1.134 10 0 CDAEHM COc1nc(NC(=O)Cc2ccccc2F)n[n-]1 ZINC000126783559 392588094 /nfs/dbraw/zinc/58/80/94/392588094.db2.gz KDHLYTCVLOZKOM-UHFFFAOYSA-N -1 3 250.233 1.134 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2ccccc2F)n1 ZINC000126783559 392588097 /nfs/dbraw/zinc/58/80/97/392588097.db2.gz KDHLYTCVLOZKOM-UHFFFAOYSA-N -1 3 250.233 1.134 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(SC)cc2)[n-]1 ZINC000127822872 392629232 /nfs/dbraw/zinc/62/92/32/392629232.db2.gz MTOCOVDQAGTMLM-UHFFFAOYSA-N -1 3 264.310 1.788 10 0 CDAEHM COc1nc(NC(=O)c2ccc(SC)cc2)n[n-]1 ZINC000127822872 392629237 /nfs/dbraw/zinc/62/92/37/392629237.db2.gz MTOCOVDQAGTMLM-UHFFFAOYSA-N -1 3 264.310 1.788 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(SC)cc2)n1 ZINC000127822872 392629238 /nfs/dbraw/zinc/62/92/38/392629238.db2.gz MTOCOVDQAGTMLM-UHFFFAOYSA-N -1 3 264.310 1.788 10 0 CDAEHM Cc1ccc(C(=O)NCC(C)(C)[C@]2(O)CCOC2)c([O-])c1 ZINC000649089715 392738347 /nfs/dbraw/zinc/73/83/47/392738347.db2.gz POZIORGQYCQLKW-INIZCTEOSA-N -1 3 293.363 1.608 10 0 CDAEHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCO[C@@H]2C[C@@H]21 ZINC000646744836 392722649 /nfs/dbraw/zinc/72/26/49/392722649.db2.gz RBNSZEIEXKIMJG-DZGCQCFKSA-N -1 3 273.332 1.884 10 0 CDAEHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cccc2nonc21 ZINC000268892297 132084739 /nfs/dbraw/zinc/08/47/39/132084739.db2.gz URVSGPZOUMTGHG-YUMQZZPRSA-N -1 3 267.310 1.157 10 0 CDAEHM O=C(c1csc(=O)[n-]1)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000521234028 392946893 /nfs/dbraw/zinc/94/68/93/392946893.db2.gz AKVAJHVRTOCFRL-ZJUUUORDSA-N -1 3 282.365 1.737 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C(=O)c1cccn1C ZINC000649228979 393120821 /nfs/dbraw/zinc/12/08/21/393120821.db2.gz HYLJBJDEHBNPBB-UHFFFAOYSA-N -1 3 274.324 1.423 10 0 CDAEHM CO[C@H]1CC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000191794502 393124983 /nfs/dbraw/zinc/12/49/83/393124983.db2.gz NYGSHYYTSFSULA-QWRGUYRKSA-N -1 3 282.315 1.898 10 0 CDAEHM Cc1cccc(C(=O)Nc2ccc(C(N)=O)nc2)c1[O-] ZINC000133549090 393195405 /nfs/dbraw/zinc/19/54/05/393195405.db2.gz PMUFUVJKPAGPIM-UHFFFAOYSA-N -1 3 271.276 1.447 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)C(=O)OC 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O=C(c1ccc(O)cc1[O-])N1CC[C@H]2OCCC[C@@H]2C1 ZINC000182839184 148269587 /nfs/dbraw/zinc/26/95/87/148269587.db2.gz PIHWNRKNXDIKGO-QMTHXVAHSA-N -1 3 277.320 1.739 10 0 CDAEHM CC(C)(C)[C@H](CCO)NC(=O)c1cccc([O-])c1 ZINC000182981540 148280309 /nfs/dbraw/zinc/28/03/09/148280309.db2.gz RTWKFVNYAKNRQM-LBPRGKRZSA-N -1 3 251.326 1.919 10 0 CDAEHM N[C@H](Cc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000315117410 149257769 /nfs/dbraw/zinc/25/77/69/149257769.db2.gz MSZFPSKMELTLDP-OAHLLOKOSA-N -1 3 298.342 1.571 10 0 CDAEHM O=C(COc1ccccc1O)NCc1ncccc1[O-] ZINC000352500720 155230851 /nfs/dbraw/zinc/23/08/51/155230851.db2.gz KZQCJVUPQCRPRS-UHFFFAOYSA-N -1 3 274.276 1.188 10 0 CDAEHM Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCc1ncccc1[O-] ZINC000352502268 155232137 /nfs/dbraw/zinc/23/21/37/155232137.db2.gz SCDPXPUFIOQUDZ-MRVPVSSYSA-N -1 3 274.324 1.547 10 0 CDAEHM NC(=O)c1ccccc1CCC(=O)NCc1ncccc1[O-] ZINC000352515542 155240923 /nfs/dbraw/zinc/24/09/23/155240923.db2.gz HEEJHSMVHZOHIC-UHFFFAOYSA-N -1 3 299.330 1.135 10 0 CDAEHM O=C(Cn1cc2ccccc2n1)NCc1ncccc1[O-] ZINC000352518570 155245075 /nfs/dbraw/zinc/24/50/75/155245075.db2.gz YIXFMLDSTQBEGS-UHFFFAOYSA-N -1 3 282.303 1.453 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2cn(C)nc2C)o1 ZINC000335900998 151096481 /nfs/dbraw/zinc/09/64/81/151096481.db2.gz ROBKIANVRCLYOL-JTQLQIEISA-N -1 3 283.353 1.669 10 0 CDAEHM Cc1nc(C)c(CC(=O)N2C[C@H](C)CC[C@H]2C)c(=O)[n-]1 ZINC000336561584 151634327 /nfs/dbraw/zinc/63/43/27/151634327.db2.gz YMVKYELQFXJZQD-NXEZZACHSA-N -1 3 277.368 1.989 10 0 CDAEHM COc1nc(NC(=O)[C@@H](C)COc2ccccc2)n[n-]1 ZINC000352636835 155317502 /nfs/dbraw/zinc/31/75/02/155317502.db2.gz JYEJVFNQXSWECU-VIFPVBQESA-N -1 3 276.296 1.467 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](C)COc2ccccc2)[n-]1 ZINC000352636835 155317503 /nfs/dbraw/zinc/31/75/03/155317503.db2.gz JYEJVFNQXSWECU-VIFPVBQESA-N -1 3 276.296 1.467 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](C)COc2ccccc2)n1 ZINC000352636835 155317504 /nfs/dbraw/zinc/31/75/04/155317504.db2.gz JYEJVFNQXSWECU-VIFPVBQESA-N -1 3 276.296 1.467 10 0 CDAEHM CC(C)(C)n1cnc([N-]C(=O)c2cnn3cccnc23)n1 ZINC000344037968 152398942 /nfs/dbraw/zinc/39/89/42/152398942.db2.gz AYRUBNCFQLNYQS-UHFFFAOYSA-N -1 3 285.311 1.328 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(-n3ccc(C)n3)cc2)[n-]1 ZINC000352689435 155368514 /nfs/dbraw/zinc/36/85/14/155368514.db2.gz ZPRZYZPJIKIRNG-UHFFFAOYSA-N -1 3 298.306 1.560 10 0 CDAEHM COc1nc(NC(=O)c2ccc(-n3ccc(C)n3)cc2)n[n-]1 ZINC000352689435 155368516 /nfs/dbraw/zinc/36/85/16/155368516.db2.gz ZPRZYZPJIKIRNG-UHFFFAOYSA-N -1 3 298.306 1.560 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(-n3ccc(C)n3)cc2)n1 ZINC000352689435 155368518 /nfs/dbraw/zinc/36/85/18/155368518.db2.gz ZPRZYZPJIKIRNG-UHFFFAOYSA-N -1 3 298.306 1.560 10 0 CDAEHM COc1ncc(C[S@](=O)c2ccc([O-])cc2)c(C)n1 ZINC000346392036 153167984 /nfs/dbraw/zinc/16/79/84/153167984.db2.gz VJBPNPMVJNIDHR-IBGZPJMESA-N -1 3 278.333 1.807 10 0 CDAEHM Cc1cccnc1NC(=O)NCc1ncccc1[O-] ZINC000346908554 153345379 /nfs/dbraw/zinc/34/53/79/153345379.db2.gz LBRGICPOKAAINU-UHFFFAOYSA-N -1 3 258.281 1.812 10 0 CDAEHM O=C(NCCc1ccco1)NCc1ncccc1[O-] ZINC000349169720 154062892 /nfs/dbraw/zinc/06/28/92/154062892.db2.gz WBYAPIDKLBOYHC-UHFFFAOYSA-N -1 3 261.281 1.422 10 0 CDAEHM COC(C)(C)CS(=O)(=O)[N-][C@@H](CO)c1ccsc1 ZINC000349505570 154125406 /nfs/dbraw/zinc/12/54/06/154125406.db2.gz BQJPHKAWVOEBMC-JTQLQIEISA-N -1 3 293.410 1.126 10 0 CDAEHM CO[C@@H]1[C@H](C)[C@H](NC(=O)NCc2ncccc2[O-])C1(C)C ZINC000349794014 154219786 /nfs/dbraw/zinc/21/97/86/154219786.db2.gz ZURPSTBYHSAAOV-JIMOISOXSA-N -1 3 293.367 1.646 10 0 CDAEHM O=C(N[C@H](CO)c1ccsc1)c1cccc([O-])c1 ZINC000354267086 156358754 /nfs/dbraw/zinc/35/87/54/156358754.db2.gz TYXYHHYNXZYTBP-GFCCVEGCSA-N -1 3 263.318 1.917 10 0 CDAEHM Cc1ncc2n1CC[C@H](C(=O)NCc1ncccc1[O-])C2 ZINC000356100144 157355510 /nfs/dbraw/zinc/35/55/10/157355510.db2.gz PCGSAAFMCVOAHQ-NSHDSACASA-N -1 3 286.335 1.171 10 0 CDAEHM COC(=O)[C@H](Sc1n[n-]c(-c2ccccn2)n1)C1CC1 ZINC000358922064 158073341 /nfs/dbraw/zinc/07/33/41/158073341.db2.gz GNIOBDLEDJQLAN-SNVBAGLBSA-N -1 3 290.348 1.910 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)c1cccc2ncnn21 ZINC000359849385 158397905 /nfs/dbraw/zinc/39/79/05/158397905.db2.gz ZFULFNGPOIPMLU-UHFFFAOYSA-N -1 3 286.266 1.504 10 0 CDAEHM CCc1ccc(CC)c(NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000362536161 159172806 /nfs/dbraw/zinc/17/28/06/159172806.db2.gz YMGDIPVVHVVFCH-UHFFFAOYSA-N -1 3 289.335 1.302 10 0 CDAEHM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2cccc([O-])c2)CC1=O ZINC000364697106 159372669 /nfs/dbraw/zinc/37/26/69/159372669.db2.gz DAEOQPIBMXWKLM-IRUJWGPZSA-N -1 3 274.320 1.131 10 0 CDAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C(C)(C)O)cc2)n1 ZINC000372894932 160156067 /nfs/dbraw/zinc/15/60/67/160156067.db2.gz IMOAANAJHHXGKL-UHFFFAOYSA-N -1 3 287.319 1.455 10 0 CDAEHM Cc1cn2c(n1)CN(C(=O)c1ccc3n[n-]nc3c1)CC2 ZINC000374642510 160303245 /nfs/dbraw/zinc/30/32/45/160303245.db2.gz CFJHGSMWPNBECZ-UHFFFAOYSA-N -1 3 282.307 1.119 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCC(c2c[nH]cn2)CC1 ZINC000374771473 160314619 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413641855 /nfs/dbraw/zinc/64/18/55/413641855.db2.gz LIBSJKZCJVPXIT-UHFFFAOYSA-N -1 3 273.218 1.843 10 0 CDAEHM C[C@H]1CCN(CC(=O)Nc2c([O-])cccc2F)C1 ZINC000654966377 413848804 /nfs/dbraw/zinc/84/88/04/413848804.db2.gz XIERQRAMWCNPFP-VIFPVBQESA-N -1 3 252.289 1.812 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](CC)C1CC1 ZINC000657173416 414006753 /nfs/dbraw/zinc/00/67/53/414006753.db2.gz QAENSTLITSKIEW-NSHDSACASA-N -1 3 284.381 1.947 10 0 CDAEHM CO[C@@]1(CO)CCCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000661390139 414050997 /nfs/dbraw/zinc/05/09/97/414050997.db2.gz REQNDKSFEMAQIX-FZMZJTMJSA-N -1 3 281.356 1.025 10 0 CDAEHM CC(C)N1CCN(CC(=O)c2ccc([O-])cc2)CC1 ZINC000037339691 173140259 /nfs/dbraw/zinc/14/02/59/173140259.db2.gz DBGLYRNXNJKSAV-UHFFFAOYSA-N -1 3 262.353 1.601 10 0 CDAEHM Nc1n[nH]cc1S(=O)(=O)[N-]C1CCCCCCC1 ZINC000037558259 173269469 /nfs/dbraw/zinc/26/94/69/173269469.db2.gz QZJNUAUJBZYAFS-UHFFFAOYSA-N -1 3 272.374 1.383 10 0 CDAEHM O=C([O-])c1cc(F)ccc1CN1CC[C@H]2COC[C@H]2C1 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769267092 /nfs/dbraw/zinc/26/70/92/769267092.db2.gz MRXYRQQUUNSYLR-UHFFFAOYSA-N -1 3 281.381 1.644 10 0 CDAEHM Cn1c([N-]C(=O)c2nnc3ccccc3n2)nnc1C1CC1 ZINC000855251254 769580566 /nfs/dbraw/zinc/58/05/66/769580566.db2.gz HRPUIEAZGBGFMY-UHFFFAOYSA-N -1 3 295.306 1.283 10 0 CDAEHM O=C([N-][C@@H]1C[C@H](O)C12CCC2)C(F)(F)C(F)F ZINC000855920817 769655989 /nfs/dbraw/zinc/65/59/89/769655989.db2.gz OPCINVIANWVBIK-RITPCOANSA-N -1 3 255.211 1.307 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)nn1 ZINC000866984610 769680769 /nfs/dbraw/zinc/68/07/69/769680769.db2.gz VBJKJAVNJZRGEU-NSHDSACASA-N -1 3 297.380 1.165 10 0 CDAEHM CCO[C@H](C(=O)NCc1nc(C(F)(F)F)n[n-]1)C(C)C ZINC000860954905 769742168 /nfs/dbraw/zinc/74/21/68/769742168.db2.gz IYWTZMMFLMCGEA-QMMMGPOBSA-N -1 3 294.277 1.501 10 0 CDAEHM CCOC(=O)C12CC(C1)CN2Cc1nc(C)cc(=O)[n-]1 ZINC000852704670 769813283 /nfs/dbraw/zinc/81/32/83/769813283.db2.gz GHADBPAYPDBRAJ-UHFFFAOYSA-N -1 3 277.324 1.018 10 0 CDAEHM 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10 0 CDAEHM O=C(N[C@H](CCO)C1CCCC1)c1c([O-])cccc1O ZINC000725058726 770828958 /nfs/dbraw/zinc/82/89/58/770828958.db2.gz IEIBVUPDXVLAHO-LLVKDONJSA-N -1 3 279.336 1.769 10 0 CDAEHM O=C(NCCCc1cc(=O)[nH][n-]1)C1CC2(CC2(F)F)C1 ZINC000854488747 770903298 /nfs/dbraw/zinc/90/32/98/770903298.db2.gz WMDCSUBPLLRACF-UHFFFAOYSA-N -1 3 285.294 1.194 10 0 CDAEHM CCC[C@H](C[N-]S(=O)(=O)c1cccnc1F)OCC ZINC000705329917 771064509 /nfs/dbraw/zinc/06/45/09/771064509.db2.gz YWESIPOUTDVGII-SNVBAGLBSA-N -1 3 290.360 1.704 10 0 CDAEHM CCCO[N-]C(=O)[C@@H]1CCc2nnc(C3CC3)n2C1 ZINC000844087616 771212783 /nfs/dbraw/zinc/21/27/83/771212783.db2.gz CXFJPWVALNIYNU-SNVBAGLBSA-N -1 3 264.329 1.176 10 0 CDAEHM CN(Cc1nc(=O)c2sccc2[n-]1)CC1CC(O)C1 ZINC000091489697 771338719 /nfs/dbraw/zinc/33/87/19/771338719.db2.gz ZEFCXDGDLDIMGD-UHFFFAOYSA-N -1 3 279.365 1.600 10 0 CDAEHM Cn1cnc(S(=O)(=O)[N-]CC(C)(C)C(C)(F)F)c1 ZINC000867787440 771392759 /nfs/dbraw/zinc/39/27/59/771392759.db2.gz GOQNTOAZYDJDKS-UHFFFAOYSA-N -1 3 281.328 1.380 10 0 CDAEHM CC[C@@H](C)[C@@H](C)C(=O)N[N-]C(=O)c1ncccc1C ZINC000180527213 771514617 /nfs/dbraw/zinc/51/46/17/771514617.db2.gz QJEUYNCQIIJPFZ-MWLCHTKSSA-N -1 3 263.341 1.833 10 0 CDAEHM COCCCO[N-]C(=O)[C@@H]1C[C@]1(C)Br ZINC000861694615 771829667 /nfs/dbraw/zinc/82/96/67/771829667.db2.gz CTWPFWFKQAJORU-CBAPKCEASA-N -1 3 266.135 1.244 10 0 CDAEHM C[C@@H]1[C@@H](NC(=O)c2ccc([O-])c(Cl)c2)CCN1C ZINC000719338755 771843449 /nfs/dbraw/zinc/84/34/49/771843449.db2.gz VXQBLKHEWZSBNF-KCJUWKMLSA-N -1 3 268.744 1.868 10 0 CDAEHM CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000828075930 771846049 /nfs/dbraw/zinc/84/60/49/771846049.db2.gz OAPVUGKJLAUNBI-MWLCHTKSSA-N -1 3 275.370 1.663 10 0 CDAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC23CC3)ccc1F ZINC000819625852 772044211 /nfs/dbraw/zinc/04/42/11/772044211.db2.gz ORLGBEZKMZCUGH-LLVKDONJSA-N -1 3 298.339 1.016 10 0 CDAEHM CC(C)(C)OC(=O)C(=O)COC(=O)c1cc2occc2[n-]1 ZINC000859665220 772064921 /nfs/dbraw/zinc/06/49/21/772064921.db2.gz PVYAJYFTXWSTMU-UHFFFAOYSA-N -1 3 293.275 1.829 10 0 CDAEHM O=c1[nH][n-]cc1CCCNc1nc2c(cccc2F)o1 ZINC000865941312 772120782 /nfs/dbraw/zinc/12/07/82/772120782.db2.gz CISPRPPRNJZKPI-MRVPVSSYSA-N -1 3 276.271 1.891 10 0 CDAEHM C[C@H]1CC[C@@H](OC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000815206820 772141372 /nfs/dbraw/zinc/14/13/72/772141372.db2.gz QQVBNPFYLVGBOA-WCBMZHEXSA-N -1 3 273.288 1.916 10 0 CDAEHM CC[C@@H](C[C@@H](C)O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000716919259 772228369 /nfs/dbraw/zinc/22/83/69/772228369.db2.gz SSVALADHJFYIMY-XCBNKYQSSA-N -1 3 276.358 1.119 10 0 CDAEHM O=c1[n-]c(CS[C@@H]2CCCOC2)nc2c1COCC2 ZINC000865363163 772284396 /nfs/dbraw/zinc/28/43/96/772284396.db2.gz PWTGBCSSERHGPU-SECBINFHSA-N -1 3 282.365 1.667 10 0 CDAEHM CCC(C)(C)CCS(=O)(=O)[N-][C@@H]1CNCCC1(F)F ZINC000866769821 772408942 /nfs/dbraw/zinc/40/89/42/772408942.db2.gz QTWLDHVOPHFTRA-SNVBAGLBSA-N -1 3 298.399 1.729 10 0 CDAEHM COc1ccc(C(=O)NC[C@@]2(OC)CCSC2)c([O-])c1 ZINC000719273719 772464943 /nfs/dbraw/zinc/46/49/43/772464943.db2.gz CCQKJAWDKUNXGQ-AWEZNQCLSA-N -1 3 297.376 1.653 10 0 CDAEHM O=C1[N-]C(=O)/C(=C/N[C@@H]2CO[C@@H](C3CC3)C2)c2ccccc21 ZINC000864349865 772524562 /nfs/dbraw/zinc/52/45/62/772524562.db2.gz XRAUIASLYVPKJQ-MWMICKBXSA-N -1 3 298.342 1.455 10 0 CDAEHM CCO[N-]C(=O)CNCc1cnn(-c2ccccc2C)c1 ZINC000846078625 772681925 /nfs/dbraw/zinc/68/19/25/772681925.db2.gz ATXQUVOXDPMBCB-UHFFFAOYSA-N -1 3 288.351 1.338 10 0 CDAEHM C[C@H]1CC(C[N-]S(=O)(=O)N=S(C)(C)=O)C[C@H](C)C1 ZINC000867504407 772738711 /nfs/dbraw/zinc/73/87/11/772738711.db2.gz GTAJRIXHOLXJEW-NXEZZACHSA-N -1 3 296.458 1.621 10 0 CDAEHM CN1CCC[C@H]1CNC(=O)N(CC(=O)[O-])C1CCCC1 ZINC000225871449 772780600 /nfs/dbraw/zinc/78/06/00/772780600.db2.gz OUBQASGDMYNQCT-LBPRGKRZSA-N -1 3 283.372 1.119 10 0 CDAEHM COc1nnc(NC(=O)CC[C@H]2CC2(Cl)Cl)[n-]1 ZINC000831566403 772792537 /nfs/dbraw/zinc/79/25/37/772792537.db2.gz MSXXJDKKLNMTQF-YFKPBYRVSA-N -1 3 279.127 1.726 10 0 CDAEHM COc1nc(NC(=O)CC[C@H]2CC2(Cl)Cl)n[n-]1 ZINC000831566403 772792540 /nfs/dbraw/zinc/79/25/40/772792540.db2.gz MSXXJDKKLNMTQF-YFKPBYRVSA-N -1 3 279.127 1.726 10 0 CDAEHM COc1n[n-]c(NC(=O)CC[C@H]2CC2(Cl)Cl)n1 ZINC000831566403 772792543 /nfs/dbraw/zinc/79/25/43/772792543.db2.gz MSXXJDKKLNMTQF-YFKPBYRVSA-N -1 3 279.127 1.726 10 0 CDAEHM CCn1nc(C)c(C(=O)[N-]c2ccnc(F)c2F)n1 ZINC000857696814 772836048 /nfs/dbraw/zinc/83/60/48/772836048.db2.gz UATZXYOXKHDFAL-UHFFFAOYSA-N -1 3 267.239 1.532 10 0 CDAEHM C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000852959119 772883467 /nfs/dbraw/zinc/88/34/67/772883467.db2.gz FIEGRUBBWZHDAB-NTZNESFSSA-N -1 3 282.384 1.476 10 0 CDAEHM CCO[C@@H](C(=O)Nc1cc(F)ccc1[O-])[C@H]1CCOC1 ZINC000867006917 772945894 /nfs/dbraw/zinc/94/58/94/772945894.db2.gz QRLHMFYGFTVBOA-TVQRCGJNSA-N -1 3 283.299 1.911 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000130952266 773004649 /nfs/dbraw/zinc/00/46/49/773004649.db2.gz ITBNEWBDNYFASD-WDEREUQCSA-N -1 3 285.303 1.938 10 0 CDAEHM CCN1CC[C@@H]1CNC(=O)c1ccc(OC)cc1[O-] ZINC000712297015 773024588 /nfs/dbraw/zinc/02/45/88/773024588.db2.gz FEKSABAENBQKSK-SNVBAGLBSA-N -1 3 264.325 1.225 10 0 CDAEHM CO[C@@]1(CNC(=O)c2ccc(C)cc2[O-])CCSC1 ZINC000719272196 773086295 /nfs/dbraw/zinc/08/62/95/773086295.db2.gz UIOXFBOTMZEXJW-CQSZACIVSA-N -1 3 281.377 1.953 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](C)C2CCCC2)nn1 ZINC000866788291 773154300 /nfs/dbraw/zinc/15/43/00/773154300.db2.gz TVGYKKSNDCSKDM-SNVBAGLBSA-N -1 3 269.370 1.642 10 0 CDAEHM C[C@]1(CCN=c2ncnc3[nH][n-]cc2-3)C[C@]1(F)Cl ZINC000844274892 773186033 /nfs/dbraw/zinc/18/60/33/773186033.db2.gz JURCERDIKLXHMG-WDEREUQCSA-N -1 3 269.711 1.843 10 0 CDAEHM CC(C)[C@@](C)(CO)NC(=O)c1nnc2ccccc2c1[O-] ZINC000793788914 773310441 /nfs/dbraw/zinc/31/04/41/773310441.db2.gz HFPWRAYCMSKIJZ-OAHLLOKOSA-N -1 3 289.335 1.472 10 0 CDAEHM CCN1CCC[C@H](NC(=O)N2CCC[C@]2(C)C(=O)[O-])C1 ZINC000250260595 773565807 /nfs/dbraw/zinc/56/58/07/773565807.db2.gz JRJPCVVCFHLPMC-SMDDNHRTSA-N -1 3 283.372 1.119 10 0 CDAEHM CCCOC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000058721048 773687231 /nfs/dbraw/zinc/68/72/31/773687231.db2.gz BDRPVBQUYUZDHI-LBPRGKRZSA-N -1 3 277.320 1.950 10 0 CDAEHM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@]12C[C@@H]1CCCC2 ZINC000867626744 773708297 /nfs/dbraw/zinc/70/82/97/773708297.db2.gz SXDZUSLBGHOUFN-QWRGUYRKSA-N -1 3 294.442 1.661 10 0 CDAEHM CCc1cc(C)nc(NCCc2c(C)[n-][nH]c2=O)n1 ZINC001642281884 1167165293 /nfs/dbraw/zinc/16/52/93/1167165293.db2.gz GZXRLBGOQPQINT-LLVKDONJSA-N -1 3 261.329 1.271 10 0 CDAEHM O=C(c1ncccc1[O-])N1CCCC[C@@H]1CNCCF ZINC001566937236 1168474058 /nfs/dbraw/zinc/47/40/58/1168474058.db2.gz PGDBHVHLQQSQCG-LLVKDONJSA-N -1 3 281.331 1.341 10 0 CDAEHM Cc1n[nH]c(C(=O)N[C@H]2CCN(CCCCCF)C2)c1[O-] ZINC001266314647 894344896 /nfs/dbraw/zinc/34/48/96/894344896.db2.gz JRVLWNFECFILJM-NSHDSACASA-N -1 3 298.362 1.368 10 0 CDAEHM O=C([N-]OCC(F)F)c1cccc2cc(=O)[nH]cc21 ZINC001567475558 1168792255 /nfs/dbraw/zinc/79/22/55/1168792255.db2.gz PORCIBVZTAEDJR-UHFFFAOYSA-N -1 3 268.219 1.867 10 0 CDAEHM CCOc1nnc(NC(=O)Cc2ccccc2F)[n-]1 ZINC000228776439 911971870 /nfs/dbraw/zinc/97/18/70/911971870.db2.gz VPFKLPKDWIMXEG-UHFFFAOYSA-N -1 3 264.260 1.524 10 0 CDAEHM CCOc1nc(NC(=O)Cc2ccccc2F)n[n-]1 ZINC000228776439 911971881 /nfs/dbraw/zinc/97/18/81/911971881.db2.gz VPFKLPKDWIMXEG-UHFFFAOYSA-N -1 3 264.260 1.524 10 0 CDAEHM CCOc1n[n-]c(NC(=O)Cc2ccccc2F)n1 ZINC000228776439 911971901 /nfs/dbraw/zinc/97/19/01/911971901.db2.gz VPFKLPKDWIMXEG-UHFFFAOYSA-N -1 3 264.260 1.524 10 0 CDAEHM Cc1cccc(CO[N-]C(=O)/C=C\c2cn(C)cn2)n1 ZINC001168643388 919902742 /nfs/dbraw/zinc/90/27/42/919902742.db2.gz VDRLPFUASSXVMB-SREVYHEPSA-N -1 3 272.308 1.385 10 0 CDAEHM C[S@](=O)(=NC(=O)c1cc(=O)cc[n-]1)c1ccc(F)cc1 ZINC001413619228 936642501 /nfs/dbraw/zinc/64/25/01/936642501.db2.gz DBXUCWMLAFKZKF-HXUWFJFHSA-N -1 3 294.307 1.811 10 0 CDAEHM C[C@H](NC(=O)c1ccn(C)n1)c1nc(C(F)(F)F)n[n-]1 ZINC001413711196 936701645 /nfs/dbraw/zinc/70/16/45/936701645.db2.gz ONKXAPRBLSABAF-YFKPBYRVSA-N -1 3 288.233 1.048 10 0 CDAEHM O=C([O-])[C@@H](NCc1ccc(F)c(F)c1F)[C@H]1CCCO1 ZINC001118919689 924955470 /nfs/dbraw/zinc/95/54/70/924955470.db2.gz ZFYRHRYDYZXTOW-SKDRFNHKSA-N -1 3 289.253 1.826 10 0 CDAEHM CCC(=O)NCCOCCN(C)C(=O)c1ccccc1[O-] ZINC001487574057 925964699 /nfs/dbraw/zinc/96/46/99/925964699.db2.gz VZCARHCOSIJYLY-UHFFFAOYSA-N -1 3 294.351 1.007 10 0 CDAEHM CC[C@@H](C)C[C@H](N)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000400754710 937265341 /nfs/dbraw/zinc/26/53/41/937265341.db2.gz FHNNKQOJWSGUSE-VWYCJHECSA-N -1 3 256.346 1.216 10 0 CDAEHM O=C(Nc1ccc(Cl)cc1[O-])c1cccn2nnnc12 ZINC001138015062 930057355 /nfs/dbraw/zinc/05/73/55/930057355.db2.gz OSWDOMRAULSAPX-UHFFFAOYSA-N -1 3 289.682 1.736 10 0 CDAEHM COc1nnc(NC(=O)[C@H](C)OC2CCCCC2)[n-]1 ZINC001116505887 937452658 /nfs/dbraw/zinc/45/26/58/937452658.db2.gz VPCXJWOVMUFFKV-QMMMGPOBSA-N -1 3 268.317 1.490 10 0 CDAEHM COc1nc(NC(=O)[C@H](C)OC2CCCCC2)n[n-]1 ZINC001116505887 937452659 /nfs/dbraw/zinc/45/26/59/937452659.db2.gz VPCXJWOVMUFFKV-QMMMGPOBSA-N -1 3 268.317 1.490 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H](C)OC2CCCCC2)n1 ZINC001116505887 937452661 /nfs/dbraw/zinc/45/26/61/937452661.db2.gz VPCXJWOVMUFFKV-QMMMGPOBSA-N -1 3 268.317 1.490 10 0 CDAEHM COC(C)(C)[C@@H](C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001412656053 932596581 /nfs/dbraw/zinc/59/65/81/932596581.db2.gz BOAOYGVADHNSLX-SSDOTTSWSA-N -1 3 280.303 1.640 10 0 CDAEHM C[C@H](NC(=O)Cc1ccncc1)c1nc(C(F)(F)F)n[n-]1 ZINC001412710915 932655909 /nfs/dbraw/zinc/65/59/09/932655909.db2.gz ZFDMPFBPFDWSCM-ZETCQYMHSA-N -1 3 299.256 1.638 10 0 CDAEHM Cc1ccc(C2=CCN(C(=O)c3cnncc3[O-])CC2)cn1 ZINC001412746371 932691750 /nfs/dbraw/zinc/69/17/50/932691750.db2.gz FBXSPDGGAYXLGL-UHFFFAOYSA-N -1 3 296.330 1.815 10 0 CDAEHM O=C(CN1Cc2ccccc2OC1=O)Nc1ncccc1[O-] ZINC001412811628 934373832 /nfs/dbraw/zinc/37/38/32/934373832.db2.gz BYVKLEVKTZMMMZ-UHFFFAOYSA-N -1 3 299.286 1.740 10 0 CDAEHM O=C(NCc1cnccc1C(F)(F)F)c1cnncc1[O-] ZINC001413313740 935981843 /nfs/dbraw/zinc/98/18/43/935981843.db2.gz XWAWESZPDJYLRI-UHFFFAOYSA-N -1 3 298.224 1.526 10 0 CDAEHM C[C@H]1CC[C@](CNCc2nccn2C)(CC(=O)[O-])C1 ZINC001332474086 942477616 /nfs/dbraw/zinc/47/76/16/942477616.db2.gz XIYWFPDKQFLYGS-SMDDNHRTSA-N -1 3 265.357 1.791 10 0 CDAEHM COCCCC(=O)NCCN(C)C(=O)c1ccccc1[O-] ZINC001284501998 943187508 /nfs/dbraw/zinc/18/75/08/943187508.db2.gz WXPKBPVBKLGBLB-UHFFFAOYSA-N -1 3 294.351 1.007 10 0 CDAEHM Cc1nccn1CCCN(C)C(=O)c1ccc([O-])cn1 ZINC001362172842 970978707 /nfs/dbraw/zinc/97/87/07/970978707.db2.gz APAHJEODMQMEEI-UHFFFAOYSA-N -1 3 274.324 1.454 10 0 CDAEHM CC[C@@H](C(=O)N1CCC(C)(C(=O)[O-])CC1)N(C)C ZINC001331931686 947601010 /nfs/dbraw/zinc/60/10/10/947601010.db2.gz JOZRKIMFRJWWMF-JTQLQIEISA-N -1 3 256.346 1.040 10 0 CDAEHM CC(C)(O)c1cccc(NC(=O)c2cc(=O)[n-]cn2)c1 ZINC001362626297 971468902 /nfs/dbraw/zinc/46/89/02/971468902.db2.gz LIWKSXKBTYQFPD-UHFFFAOYSA-N -1 3 273.292 1.662 10 0 CDAEHM CS[C@H]1C[C@H](NC(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC001362726197 971564722 /nfs/dbraw/zinc/56/47/22/971564722.db2.gz WQJFIFXCTWSXTG-ZKCHVHJHSA-N -1 3 280.328 1.721 10 0 CDAEHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)C1=C[S@@](=O)CCC1 ZINC001362737191 971574815 /nfs/dbraw/zinc/57/48/15/971574815.db2.gz SSTVZAWNFCLFRX-FQEVSTJZSA-N -1 3 291.332 1.633 10 0 CDAEHM CC(=O)c1cncc(C(=O)Nc2nc(C)ccc2[O-])c1 ZINC001362750686 971587265 /nfs/dbraw/zinc/58/72/65/971587265.db2.gz YFMONENDMXNHSS-UHFFFAOYSA-N -1 3 271.276 1.946 10 0 CDAEHM C[C@H](NC(=O)c1cccn1C)c1nc(C(F)(F)F)n[n-]1 ZINC001363003286 971807784 /nfs/dbraw/zinc/80/77/84/971807784.db2.gz PCCDOJOTQYRBON-LURJTMIESA-N -1 3 287.245 1.653 10 0 CDAEHM O=C(NN1C[C@@H]2CCC[C@@H]2C1)c1cccc2n[n-]nc21 ZINC001363708115 953678679 /nfs/dbraw/zinc/67/86/79/953678679.db2.gz WIALOXUWZSUYTG-AOOOYVTPSA-N -1 3 271.324 1.335 10 0 CDAEHM CN1c2ccccc2C[C@@H](NC(=O)c2ccccc2[O-])C1=O ZINC001363931337 954042236 /nfs/dbraw/zinc/04/22/36/954042236.db2.gz YBJGVBWGFBDCTI-CYBMUJFWSA-N -1 3 296.326 1.710 10 0 CDAEHM Cc1ccc([S@@](C)(=O)=NC(=O)c2cc(=O)cc[n-]2)cc1 ZINC001364367710 954509881 /nfs/dbraw/zinc/50/98/81/954509881.db2.gz QBBUKRRKDVWHHC-HXUWFJFHSA-N -1 3 290.344 1.980 10 0 CDAEHM COc1cccc([O-])c1C(=O)NOCc1cccnc1 ZINC001295260662 954639582 /nfs/dbraw/zinc/63/95/82/954639582.db2.gz YKHYFOMWHBETGO-UHFFFAOYSA-N -1 3 274.276 1.657 10 0 CDAEHM FC(F)(F)c1cncc(CN2CC[C@@H](c3nnn[n-]3)C2)c1 ZINC001364479887 954661723 /nfs/dbraw/zinc/66/17/23/954661723.db2.gz PKLGAHSUKJWLSV-SECBINFHSA-N -1 3 298.272 1.603 10 0 CDAEHM FC(F)(F)c1cncc(CN2CC[C@@H](c3nn[n-]n3)C2)c1 ZINC001364479887 954661726 /nfs/dbraw/zinc/66/17/26/954661726.db2.gz PKLGAHSUKJWLSV-SECBINFHSA-N -1 3 298.272 1.603 10 0 CDAEHM CC1(C)OC[C@@H](CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)O1 ZINC001363295212 972062321 /nfs/dbraw/zinc/06/23/21/972062321.db2.gz CKAIGZGYFQOBFJ-SNVBAGLBSA-N -1 3 291.351 1.527 10 0 CDAEHM Cc1nn(C)cc1CN1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001422194706 955832011 /nfs/dbraw/zinc/83/20/11/955832011.db2.gz NQMIIAOIXIKUFD-UHFFFAOYSA-N -1 3 285.351 1.617 10 0 CDAEHM C[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1cccnc1 ZINC001365296559 955851855 /nfs/dbraw/zinc/85/18/55/955851855.db2.gz UYZNUYHNJFHADG-SNVBAGLBSA-N -1 3 286.335 1.501 10 0 CDAEHM CC(C)(C)OC(=O)[C@H](C1CC1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001365324071 955898311 /nfs/dbraw/zinc/89/83/11/955898311.db2.gz ODACSWUUJLTHHU-QWRGUYRKSA-N -1 3 293.371 1.109 10 0 CDAEHM CC(C)(C)OC(=O)[C@H](C1CC1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001365324071 955898328 /nfs/dbraw/zinc/89/83/28/955898328.db2.gz ODACSWUUJLTHHU-QWRGUYRKSA-N -1 3 293.371 1.109 10 0 CDAEHM CCOc1nnc(NC(=O)c2ccccc2-n2ccnn2)[n-]1 ZINC001302690668 956024091 /nfs/dbraw/zinc/02/40/91/956024091.db2.gz JAPGZWXJGUIAAZ-UHFFFAOYSA-N -1 3 299.294 1.036 10 0 CDAEHM CCOc1nc(NC(=O)c2ccccc2-n2ccnn2)n[n-]1 ZINC001302690668 956024103 /nfs/dbraw/zinc/02/41/03/956024103.db2.gz JAPGZWXJGUIAAZ-UHFFFAOYSA-N -1 3 299.294 1.036 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2ccccc2-n2ccnn2)n1 ZINC001302690668 956024118 /nfs/dbraw/zinc/02/41/18/956024118.db2.gz JAPGZWXJGUIAAZ-UHFFFAOYSA-N -1 3 299.294 1.036 10 0 CDAEHM C=Cc1ccccc1NC(=O)NCCc1c(C)[n-][nH]c1=O ZINC001365520449 956115318 /nfs/dbraw/zinc/11/53/18/956115318.db2.gz NRPWAZPBVDKJPX-GFCCVEGCSA-N -1 3 286.335 1.963 10 0 CDAEHM CC(C)(C(=O)[O-])C(=O)Nc1ccc2c(c1)OCCNC2 ZINC001330286054 956363647 /nfs/dbraw/zinc/36/36/47/956363647.db2.gz NKDXGLLJHLIBCS-UHFFFAOYSA-N -1 3 278.308 1.218 10 0 CDAEHM O=C([O-])[C@@H]1C=C[C@H](NCc2cc3cccnc3o2)C1 ZINC001331981343 957382078 /nfs/dbraw/zinc/38/20/78/957382078.db2.gz DEJYPVGZBCKSLM-MNOVXSKESA-N -1 3 258.277 1.947 10 0 CDAEHM COC(=O)c1cc(C(=O)OCCOC(F)(F)F)c[n-]1 ZINC001332170394 957463484 /nfs/dbraw/zinc/46/34/84/957463484.db2.gz ZKTDVTQYXLRJBJ-UHFFFAOYSA-N -1 3 281.186 1.495 10 0 CDAEHM Cc1cc(CNCCc2ccc(OCC(=O)[O-])cc2)on1 ZINC001334016298 958766940 /nfs/dbraw/zinc/76/69/40/958766940.db2.gz MXGFEMANHXHXIC-UHFFFAOYSA-N -1 3 290.319 1.779 10 0 CDAEHM Cn1ncc(C2CCC2)c1CN1CC[C@@H](C(=O)[O-])C1 ZINC001334767488 959340942 /nfs/dbraw/zinc/34/09/42/959340942.db2.gz KGKMIUTVVGLDJE-LLVKDONJSA-N -1 3 263.341 1.594 10 0 CDAEHM C[C@@H](CNC(=O)c1ccccc1[O-])CNC(=O)C(F)F ZINC001430947060 959546966 /nfs/dbraw/zinc/54/69/66/959546966.db2.gz UNTNLBDEFLOLHX-QMMMGPOBSA-N -1 3 286.278 1.139 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)C(C)(C)CCC(C)=O)[n-]n1 ZINC001433880107 960728287 /nfs/dbraw/zinc/72/82/87/960728287.db2.gz HZVSTAFLTRHCAS-UHFFFAOYSA-N -1 3 295.339 1.920 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)C(C)(C)CCC(C)=O)n[n-]1 ZINC001433880107 960728299 /nfs/dbraw/zinc/72/82/99/960728299.db2.gz HZVSTAFLTRHCAS-UHFFFAOYSA-N -1 3 295.339 1.920 10 0 CDAEHM Cc1cc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cnn1 ZINC001434237129 961107259 /nfs/dbraw/zinc/10/72/59/961107259.db2.gz IPJDQKZUXHALLB-UHFFFAOYSA-N -1 3 299.334 1.478 10 0 CDAEHM C[C@H](NC(=O)c1cccnc1)c1nc(C(F)(F)F)n[n-]1 ZINC001434392163 961286024 /nfs/dbraw/zinc/28/60/24/961286024.db2.gz IMXJNTFTTXGNMZ-LURJTMIESA-N -1 3 285.229 1.710 10 0 CDAEHM COC1CCN(C(=O)CCc2c(C)nc(C)[n-]c2=O)CC1 ZINC001434427037 961359919 /nfs/dbraw/zinc/35/99/19/961359919.db2.gz JJINMAFPILYPRM-UHFFFAOYSA-N -1 3 293.367 1.369 10 0 CDAEHM COc1ccc(C(=O)NN2C[C@H]3CCC[C@@H]3C2)c([O-])c1 ZINC001434427281 961364091 /nfs/dbraw/zinc/36/40/91/961364091.db2.gz WWLBKOKVODALDC-GHMZBOCLSA-N -1 3 276.336 1.778 10 0 CDAEHM Fc1ccc(Cl)cc1CN1CC[C@@H](c2nnn[n-]2)C1 ZINC001434486276 961508550 /nfs/dbraw/zinc/50/85/50/961508550.db2.gz WHSROBUNNJEDMJ-MRVPVSSYSA-N -1 3 281.722 1.982 10 0 CDAEHM Fc1ccc(Cl)cc1CN1CC[C@@H](c2nn[n-]n2)C1 ZINC001434486276 961508564 /nfs/dbraw/zinc/50/85/64/961508564.db2.gz WHSROBUNNJEDMJ-MRVPVSSYSA-N -1 3 281.722 1.982 10 0 CDAEHM CC/C(C)=C\C(=O)N[C@H](C)C[C@H](C)NC(=O)c1cn[n-]n1 ZINC001339833608 962564487 /nfs/dbraw/zinc/56/44/87/962564487.db2.gz ZQYSHEKMKSMXGJ-KJNJGPFHSA-N -1 3 293.371 1.174 10 0 CDAEHM Cc1cccc([O-])c1C(=O)NCC(=O)c1cncs1 ZINC001420324185 962738902 /nfs/dbraw/zinc/73/89/02/962738902.db2.gz IJGRTWDQSOZLHT-UHFFFAOYSA-N -1 3 276.317 1.770 10 0 CDAEHM Cc1cccc(OCCNC(=O)c2cnncc2[O-])c1 ZINC001440618223 964121687 /nfs/dbraw/zinc/12/16/87/964121687.db2.gz NOECYZKZBQTLJV-UHFFFAOYSA-N -1 3 273.292 1.299 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)COC)c1 ZINC001345870112 964839333 /nfs/dbraw/zinc/83/93/33/964839333.db2.gz XCXNYHKDELUZOD-UHFFFAOYSA-N -1 3 292.335 1.672 10 0 CDAEHM Cn1cc(C=O)cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001442654422 965164120 /nfs/dbraw/zinc/16/41/20/965164120.db2.gz CJGJLBCUPMCRFQ-UHFFFAOYSA-N -1 3 296.290 1.270 10 0 CDAEHM Cn1cc(C=O)cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001442654422 965164123 /nfs/dbraw/zinc/16/41/23/965164123.db2.gz CJGJLBCUPMCRFQ-UHFFFAOYSA-N -1 3 296.290 1.270 10 0 CDAEHM Nc1cc(CCCCNC(=O)c2ccc([O-])cn2)ccn1 ZINC001558884841 965370651 /nfs/dbraw/zinc/37/06/51/965370651.db2.gz KAXDUZVTBSSUBH-UHFFFAOYSA-N -1 3 286.335 1.517 10 0 CDAEHM O=C([O-])[C@H](NCc1cc(F)c(F)c(F)c1)[C@H]1CCCO1 ZINC001348501198 966029660 /nfs/dbraw/zinc/02/96/60/966029660.db2.gz BBOGOZWWDCHOFG-ZYHUDNBSSA-N -1 3 289.253 1.826 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](CC)OC)c1 ZINC001348654932 966116343 /nfs/dbraw/zinc/11/63/43/966116343.db2.gz PSWWWIXBKYQNRI-NSHDSACASA-N -1 3 292.335 1.672 10 0 CDAEHM Cn1nc2c(c1CN[C@H]1C=CC[C@H](C(=O)[O-])C1)CCCC2 ZINC001350651136 966726856 /nfs/dbraw/zinc/72/68/56/966726856.db2.gz CPUPBEMBLUSSBH-RYUDHWBXSA-N -1 3 289.379 1.808 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)c2ccc3c(n2)OCCO3)n1 ZINC001448617598 967174186 /nfs/dbraw/zinc/17/41/86/967174186.db2.gz FJEDTADMWHOCKL-UHFFFAOYSA-N -1 3 287.275 1.514 10 0 CDAEHM CC1(C)OC[C@H](/C=C\C(=O)[N-]O[C@H]2CCCCO2)O1 ZINC001544356507 967354763 /nfs/dbraw/zinc/35/47/63/967354763.db2.gz BXBPUNPTERKWHA-UJYRLZNBSA-N -1 3 271.313 1.269 10 0 CDAEHM O=C([N-]c1nnc2[nH]cnn12)C(F)(F)Cc1ccccc1 ZINC001450640336 967761581 /nfs/dbraw/zinc/76/15/81/967761581.db2.gz UXOCYZKUQAFLFC-UHFFFAOYSA-N -1 3 292.249 1.269 10 0 CDAEHM COc1c(F)nccc1C(=O)[N-]c1nc(C)ns1 ZINC001354718115 968859304 /nfs/dbraw/zinc/85/93/04/968859304.db2.gz DGQIBTDROKHPPM-UHFFFAOYSA-N -1 3 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/nfs/dbraw/zinc/31/63/78/1174316378.db2.gz BMUFNWYXHVKZDW-ONEGZZNKSA-N -1 3 255.281 1.938 10 0 CDAEHM CC[C@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)CCO1 ZINC000147317632 342462627 /nfs/dbraw/zinc/46/26/27/342462627.db2.gz MEEPTUJWJBMODX-NSHDSACASA-N -1 3 286.331 1.779 10 0 CDAEHM COc1ccc(C(=O)N(C)CC(=O)NC(C)(C)C)c([O-])c1 ZINC000053625272 342492601 /nfs/dbraw/zinc/49/26/01/342492601.db2.gz KUTXZNYBBUCOKX-UHFFFAOYSA-N -1 3 294.351 1.388 10 0 CDAEHM COc1cccc(C(=O)NCC[C@H]2CCCO2)c1[O-] ZINC000044317387 398143442 /nfs/dbraw/zinc/14/34/42/398143442.db2.gz CTEDFIKSCYNCJA-SNVBAGLBSA-N -1 3 265.309 1.700 10 0 CDAEHM COc1cc(C(=O)N2C[C@@H]3COC[C@]3(C)C2)ccc1[O-] ZINC000618713266 349514996 /nfs/dbraw/zinc/51/49/96/349514996.db2.gz OYLILSQNCYTNJH-ABAIWWIYSA-N -1 3 277.320 1.509 10 0 CDAEHM CC(C)(C)OC(=O)NCCc1cncc(C(=O)[O-])c1N ZINC000095768996 185028001 /nfs/dbraw/zinc/02/80/01/185028001.db2.gz ITIPINUXKAILRP-UHFFFAOYSA-N -1 3 281.312 1.429 10 0 CDAEHM CSC1(C[N-]S(=O)(=O)c2c[nH]c(=O)s2)CC1 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ZINC000624757521 342013497 /nfs/dbraw/zinc/01/34/97/342013497.db2.gz OPTJGUGROWDPTB-UHFFFAOYSA-N -1 3 273.358 1.341 10 0 CDAEHM COc1nnc([N-]C(=O)c2csc(NC3CC3)n2)s1 ZINC000682691630 539086846 /nfs/dbraw/zinc/08/68/46/539086846.db2.gz WNJCMLULGHBNAO-UHFFFAOYSA-N -1 3 297.365 1.830 10 0 CDAEHM CC[C@H](O)CC[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625065311 342029338 /nfs/dbraw/zinc/02/93/38/342029338.db2.gz KSFLLPCMWCHGEC-VIFPVBQESA-N -1 3 293.335 1.713 10 0 CDAEHM CC(C)(C)OC(=O)C1=CSC2=NC(=N)[N-]C(=O)[C@@H]12 ZINC000584880316 342053183 /nfs/dbraw/zinc/05/31/83/342053183.db2.gz OSAXAKDHWNXTKB-ZCFIWIBFSA-N -1 3 267.310 1.038 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-]Cc1ccns1 ZINC000625333329 342082628 /nfs/dbraw/zinc/08/26/28/342082628.db2.gz WSTGDAWMGZPVIL-UHFFFAOYSA-N -1 3 299.377 1.415 10 0 CDAEHM C[C@@H]1CN(Cc2cc([O-])ccc2Cl)CC(=O)N1C ZINC000625398039 342100827 /nfs/dbraw/zinc/10/08/27/342100827.db2.gz FQBYLUPPBBYSOP-SECBINFHSA-N -1 3 268.744 1.708 10 0 CDAEHM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)C1CC1 ZINC000592076115 342664025 /nfs/dbraw/zinc/66/40/25/342664025.db2.gz UZSVLXAGTPCBQP-SECBINFHSA-N -1 3 263.359 1.046 10 0 CDAEHM [NH3+][C@@H](Cc1ccc(Br)cc1[O-])C(=O)[O-] ZINC000096885169 185121473 /nfs/dbraw/zinc/12/14/73/185121473.db2.gz RCPVKYIAOSWIEW-ZETCQYMHSA-N -1 3 260.087 1.109 10 0 CDAEHM CCC(F)(F)C[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000625454996 342169973 /nfs/dbraw/zinc/16/99/73/342169973.db2.gz JDHVGVVESJZPAK-UHFFFAOYSA-N -1 3 289.307 1.887 10 0 CDAEHM CCC(F)(F)C[N-]S(=O)(=O)c1cc(C)cnc1N ZINC000625453728 342170605 /nfs/dbraw/zinc/17/06/05/342170605.db2.gz DCUBTAVTDZNZSU-UHFFFAOYSA-N -1 3 279.312 1.296 10 0 CDAEHM O=c1cc(NCc2ccc(Cl)cc2)[nH]c(=O)[n-]1 ZINC000001746066 342167144 /nfs/dbraw/zinc/16/71/44/342167144.db2.gz NQZFTZJBBAANGP-UHFFFAOYSA-N -1 3 251.673 1.329 10 0 CDAEHM CC[C@H](NC(=O)c1cc(=O)[n-]cn1)c1nccs1 ZINC000625736424 342196206 /nfs/dbraw/zinc/19/62/06/342196206.db2.gz DCZKUTQMASXOQN-ZETCQYMHSA-N -1 3 264.310 1.520 10 0 CDAEHM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2c(C)cccc2F)C1 ZINC000625666700 342193595 /nfs/dbraw/zinc/19/35/95/342193595.db2.gz FXRMQBNNOOODPU-PHIMTYICSA-N -1 3 287.356 1.837 10 0 CDAEHM C[C@@H]1CCCN1S(=O)(=O)[N-]CC(=O)C1(C)CCCC1 ZINC000625548943 342184901 /nfs/dbraw/zinc/18/49/01/342184901.db2.gz IWGJVCRJRNLUPY-LLVKDONJSA-N -1 3 288.413 1.455 10 0 CDAEHM CC(C)(C)OC(=O)CC1(NC(=O)c2c[n-]nn2)CCC1 ZINC000593807551 342837418 /nfs/dbraw/zinc/83/74/18/342837418.db2.gz SKXQASDFCJEGGH-UHFFFAOYSA-N -1 3 280.328 1.189 10 0 CDAEHM CC(C)(C)OC(=O)CC1(NC(=O)c2cnn[n-]2)CCC1 ZINC000593807551 342837419 /nfs/dbraw/zinc/83/74/19/342837419.db2.gz SKXQASDFCJEGGH-UHFFFAOYSA-N -1 3 280.328 1.189 10 0 CDAEHM CC(C)(C)OC(=O)CC1(NC(=O)c2cn[n-]n2)CCC1 ZINC000593807551 342837420 /nfs/dbraw/zinc/83/74/20/342837420.db2.gz SKXQASDFCJEGGH-UHFFFAOYSA-N -1 3 280.328 1.189 10 0 CDAEHM COCCN1CCN([C@H](C)c2nc(C)cc(=O)[n-]2)C[C@@H]1C ZINC000248722124 344007835 /nfs/dbraw/zinc/00/78/35/344007835.db2.gz GVBIPGWPLIUUDD-QWHCGFSZSA-N 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/nfs/dbraw/zinc/96/14/36/343961436.db2.gz FUONRNNKWHBOFO-LLVKDONJSA-N -1 3 295.335 1.184 10 0 CDAEHM CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(=O)[n-]cn1 ZINC000600081699 344172156 /nfs/dbraw/zinc/17/21/56/344172156.db2.gz QTCDZRFMABVOQT-JTQLQIEISA-N -1 3 295.339 1.375 10 0 CDAEHM COC(=O)CN(C(=O)c1cc(=O)[n-]cn1)C1CCCCC1 ZINC000600095213 344176595 /nfs/dbraw/zinc/17/65/95/344176595.db2.gz HOTIDIXSSUULGE-UHFFFAOYSA-N -1 3 293.323 1.130 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C2C[C@H](C)O[C@@H](C)C2)c1 ZINC000536607746 282330953 /nfs/dbraw/zinc/33/09/53/282330953.db2.gz LPUMGLOXTGNIID-UWVGGRQHSA-N -1 3 287.385 1.137 10 0 CDAEHM Cc1nnc([N-]C(=O)c2cc(-c3cccnc3)on2)n1C ZINC000345369268 282331384 /nfs/dbraw/zinc/33/13/84/282331384.db2.gz HVRCNILNHBINEY-UHFFFAOYSA-N -1 3 284.279 1.426 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)[C@H]1CCOC1)c1nccs1 ZINC000606463155 345014017 /nfs/dbraw/zinc/01/40/17/345014017.db2.gz GKFPGFNTLMFCPW-DTWKUNHWSA-N -1 3 276.383 1.303 10 0 CDAEHM Cc1nnsc1C(=O)[N-]c1nnc(C2CC2)n1C ZINC000617291484 345131048 /nfs/dbraw/zinc/13/10/48/345131048.db2.gz JMHRCPJOIPLPTF-UHFFFAOYSA-N -1 3 264.314 1.105 10 0 CDAEHM C[C@H]1C[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)c2ncnn21 ZINC000617425891 345530894 /nfs/dbraw/zinc/53/08/94/345530894.db2.gz SCESYFRPDSBMGR-GZMMTYOYSA-N -1 3 290.298 1.488 10 0 CDAEHM CCOC(=O)N1CC[C@@]2(NC(=O)[N-]C2=O)c2ccccc21 ZINC000074778204 136489681 /nfs/dbraw/zinc/48/96/81/136489681.db2.gz JNZCDYKXQRMULR-CQSZACIVSA-N -1 3 289.291 1.088 10 0 CDAEHM CCN(C(=O)c1c([O-])cc(F)cc1F)[C@H]1CCN(C)C1 ZINC000617553600 345848831 /nfs/dbraw/zinc/84/88/31/345848831.db2.gz LVIDPWHQYGEHOH-JTQLQIEISA-N -1 3 284.306 1.837 10 0 CDAEHM C[C@H]1C[C@H](CNC(=O)c2[nH]c(=O)[n-]c(=O)c2N)C[C@@H](C)C1 ZINC000617666030 345902339 /nfs/dbraw/zinc/90/23/39/345902339.db2.gz FPPZKECGVQTJKQ-BRPSZJMVSA-N -1 3 294.355 1.272 10 0 CDAEHM CCC[C@@H](CNC(=O)N=c1cc(OC)n(C)[n-]1)OCC ZINC000626510264 346185225 /nfs/dbraw/zinc/18/52/25/346185225.db2.gz UWNOYXPKSFOOPP-JTQLQIEISA-N -1 3 284.360 1.177 10 0 CDAEHM [O-]c1cccc(CNC[C@H]2CCCCN2CCO)c1Cl ZINC000449399118 362695637 /nfs/dbraw/zinc/69/56/37/362695637.db2.gz XPGLSIAIACBRFY-CYBMUJFWSA-N -1 3 298.814 1.982 10 0 CDAEHM Cc1cc(C(=O)N2C[C@H]3COC[C@]3(C)C2)ccc1[O-] ZINC000618714095 346616232 /nfs/dbraw/zinc/61/62/32/346616232.db2.gz SJGSVOOKLSZVPY-WFASDCNBSA-N -1 3 261.321 1.809 10 0 CDAEHM Cc1cc(C(=O)N2C[C@@H]3COC[C@@]3(C)C2)ccc1[O-] ZINC000618714093 346616533 /nfs/dbraw/zinc/61/65/33/346616533.db2.gz SJGSVOOKLSZVPY-IUODEOHRSA-N -1 3 261.321 1.809 10 0 CDAEHM COc1ccc([N-]S(=O)(=O)CCC2CC2)nc1 ZINC000680814528 482569305 /nfs/dbraw/zinc/56/93/05/482569305.db2.gz MPRQSRBYAFHWTG-UHFFFAOYSA-N -1 3 256.327 1.632 10 0 CDAEHM COC(=O)[C@@H]1C[C@H](C)CCN1Cc1nc(C)ccc1[O-] ZINC000274967472 365872903 /nfs/dbraw/zinc/87/29/03/365872903.db2.gz VOEPGGNOXNWKGZ-MFKMUULPSA-N -1 3 278.352 1.869 10 0 CDAEHM CC(C)[C@@H](NC(=O)[C@H](N)CC(=O)[O-])c1ccccc1 ZINC000085813099 179178588 /nfs/dbraw/zinc/17/85/88/179178588.db2.gz ILLOLBLJIVWMLG-DGCLKSJQSA-N -1 3 264.325 1.302 10 0 CDAEHM CCOCc1ccccc1NC(=O)[C@@H](N)CCC(=O)[O-] ZINC000085819098 179182216 /nfs/dbraw/zinc/18/22/16/179182216.db2.gz ZUQRUCDQOLLZSS-NSHDSACASA-N -1 3 280.324 1.354 10 0 CDAEHM CCC(CC)N(CC(F)(F)F)C(=O)[C@H](N)CCC(=O)[O-] ZINC000085839484 179185067 /nfs/dbraw/zinc/18/50/67/179185067.db2.gz JCZNFGFELOLBEN-SECBINFHSA-N -1 3 298.305 1.758 10 0 CDAEHM N[C@@H](CCC(=O)[O-])C(=O)N(Cc1cccs1)C1CC1 ZINC000085838887 179185321 /nfs/dbraw/zinc/18/53/21/179185321.db2.gz IILXIXBOJBFBAS-NSHDSACASA-N -1 3 282.365 1.431 10 0 CDAEHM CC[C@@H]1c2ccsc2CCN1C(=O)[C@H](N)CC(=O)[O-] ZINC000085816071 179180301 /nfs/dbraw/zinc/18/03/01/179180301.db2.gz OETXLKXSHNJCGD-NXEZZACHSA-N -1 3 282.365 1.386 10 0 CDAEHM COc1nc(NC(=O)[C@H](C)c2nc(C)cs2)n[n-]1 ZINC000613195212 347461580 /nfs/dbraw/zinc/46/15/80/347461580.db2.gz DBDWVBFRCHNSPY-LURJTMIESA-N -1 3 267.314 1.320 10 0 CDAEHM COc1nnc(NC(=O)[C@H](C)c2nc(C)cs2)[n-]1 ZINC000613195212 347461584 /nfs/dbraw/zinc/46/15/84/347461584.db2.gz DBDWVBFRCHNSPY-LURJTMIESA-N -1 3 267.314 1.320 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H](C)c2nc(C)cs2)n1 ZINC000613195212 347461587 /nfs/dbraw/zinc/46/15/87/347461587.db2.gz DBDWVBFRCHNSPY-LURJTMIESA-N -1 3 267.314 1.320 10 0 CDAEHM COC[C@@](C)(CCO)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000613303230 347671908 /nfs/dbraw/zinc/67/19/08/347671908.db2.gz NOMJZFXXMBPPJI-OAHLLOKOSA-N -1 3 295.335 1.112 10 0 CDAEHM COc1cc(=NC(=O)CCCc2cccnc2)[n-]n1C ZINC000613617364 347802447 /nfs/dbraw/zinc/80/24/47/347802447.db2.gz XOTWGBJZOOPBPL-UHFFFAOYSA-N -1 3 274.324 1.207 10 0 CDAEHM CC(C)C(=O)C[N-]S(=O)(=O)CCc1ccccc1 ZINC000128642574 187381863 /nfs/dbraw/zinc/38/18/63/187381863.db2.gz JFKRIYHQMJINHT-UHFFFAOYSA-N -1 3 269.366 1.374 10 0 CDAEHM C[C@@H](F)CCNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000454237199 252337967 /nfs/dbraw/zinc/33/79/67/252337967.db2.gz CALYQFYYFIYGRC-SSDOTTSWSA-N -1 3 279.271 1.440 10 0 CDAEHM COc1cc(C(=O)[N-]c2cc(C(F)(F)F)[nH]n2)on1 ZINC000170082737 362871358 /nfs/dbraw/zinc/87/13/58/362871358.db2.gz RERPJHOZMQPQED-UHFFFAOYSA-N -1 3 276.174 1.677 10 0 CDAEHM O=C(NCCCc1cc(=O)[nH][n-]1)C1(C(F)(F)F)CC1 ZINC000614920769 348273900 /nfs/dbraw/zinc/27/39/00/348273900.db2.gz GWGBNCWWJDGMRK-UHFFFAOYSA-N -1 3 277.246 1.101 10 0 CDAEHM CCC1(C(=O)[N-]c2nnc3[nH]cnn23)CCC(F)(F)CC1 ZINC000614997498 348299646 /nfs/dbraw/zinc/29/96/46/348299646.db2.gz XRUUIZJKDOHJCY-UHFFFAOYSA-N -1 3 298.297 1.997 10 0 CDAEHM CCCN1CC[C@H](NC(=O)c2c([O-])cc(F)cc2F)C1 ZINC000619900730 348456134 /nfs/dbraw/zinc/45/61/34/348456134.db2.gz FSLOHPZWGMQAFW-JTQLQIEISA-N -1 3 284.306 1.885 10 0 CDAEHM CN1C[C@H](C(=O)NCc2ccc([O-])c3ncccc23)CC1=O ZINC000616020779 349247170 /nfs/dbraw/zinc/24/71/70/349247170.db2.gz QMGFZNPVTFOZLL-LLVKDONJSA-N -1 3 299.330 1.035 10 0 CDAEHM O=C(NCc1ccc([O-])c2ncccc12)C(=O)NCC1CC1 ZINC000616023463 349251006 /nfs/dbraw/zinc/25/10/06/349251006.db2.gz RWBUHHYPRZGTPD-UHFFFAOYSA-N -1 3 299.330 1.083 10 0 CDAEHM N#CCn1cnc([N-]c2nc(Cl)nc(Cl)n2)c1 ZINC000116062885 349335957 /nfs/dbraw/zinc/33/59/57/349335957.db2.gz REBDFLKSTUAHPP-UHFFFAOYSA-N -1 3 270.083 1.642 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2CC[C@H]3COC[C@H]3C2)cc1[O-] ZINC000620133871 350058284 /nfs/dbraw/zinc/05/82/84/350058284.db2.gz RBZQBBLIVRHDMY-QWHCGFSZSA-N -1 3 289.331 1.703 10 0 CDAEHM Cn1cc(C(=O)N2CCC[C@H](C3CCC3)C2)c(=O)[n-]c1=O ZINC000620215474 350095644 /nfs/dbraw/zinc/09/56/44/350095644.db2.gz UFJGTCNKUWCINR-NSHDSACASA-N -1 3 291.351 1.138 10 0 CDAEHM Cc1ccc([O-])c(CN2CCS[C@@H]3COCC[C@H]32)n1 ZINC000271314248 191067205 /nfs/dbraw/zinc/06/72/05/191067205.db2.gz XKUINLDUAWTDME-TZMCWYRMSA-N -1 3 280.393 1.802 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)[n-]1 ZINC000271323024 191072993 /nfs/dbraw/zinc/07/29/93/191072993.db2.gz XRNNYFHGPFGREQ-NXEZZACHSA-N -1 3 276.271 1.695 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)n[n-]1 ZINC000271323024 191072994 /nfs/dbraw/zinc/07/29/94/191072994.db2.gz XRNNYFHGPFGREQ-NXEZZACHSA-N -1 3 276.271 1.695 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)n1 ZINC000271323024 191072997 /nfs/dbraw/zinc/07/29/97/191072997.db2.gz XRNNYFHGPFGREQ-NXEZZACHSA-N -1 3 276.271 1.695 10 0 CDAEHM CCOC1(C(=O)Nc2nnc(C(F)(F)F)[n-]2)CCC1 ZINC000621443871 350599303 /nfs/dbraw/zinc/59/93/03/350599303.db2.gz WDOHENKRNVUCOH-UHFFFAOYSA-N -1 3 278.234 1.721 10 0 CDAEHM CCOC1(C(=O)Nc2nc(C(F)(F)F)n[n-]2)CCC1 ZINC000621443871 350599305 /nfs/dbraw/zinc/59/93/05/350599305.db2.gz WDOHENKRNVUCOH-UHFFFAOYSA-N -1 3 278.234 1.721 10 0 CDAEHM COc1ccccc1-c1cc(=NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[nH][n-]1 ZINC000621776300 350772888 /nfs/dbraw/zinc/77/28/88/350772888.db2.gz IJUAZSMUBDTGHE-HBYGRHMLSA-N -1 3 299.330 1.338 10 0 CDAEHM C[C@@H]1CCN(C(=O)c2cc(F)c[n-]c2=O)C[C@@H]1F ZINC000621946717 350881256 /nfs/dbraw/zinc/88/12/56/350881256.db2.gz YUPHVRXYWSOVFL-XCBNKYQSSA-N -1 3 256.252 1.746 10 0 CDAEHM O=C(N[C@@H]1CCC[C@H](CO)C1)c1cc(F)c[n-]c1=O ZINC000622109539 351005159 /nfs/dbraw/zinc/00/51/59/351005159.db2.gz UAKOKVMHTPQMTQ-WCBMZHEXSA-N -1 3 268.288 1.207 10 0 CDAEHM C[C@]1(CNC(=O)c2c([O-])cccc2O)CC1(F)F ZINC000622171484 351051044 /nfs/dbraw/zinc/05/10/44/351051044.db2.gz LUYKFBBFGQIAAL-LLVKDONJSA-N -1 3 257.236 1.873 10 0 CDAEHM C[C@]12COC[C@H]1CN(C(=O)c1cc(F)c[n-]c1=O)C2 ZINC000622172363 351051594 /nfs/dbraw/zinc/05/15/94/351051594.db2.gz JEJDJTAROXYQMT-OQPBUACISA-N -1 3 266.272 1.035 10 0 CDAEHM C[C@]1(CNC(=O)CNC(=O)c2ccc([O-])cc2)CC1(F)F ZINC000622171916 351051991 /nfs/dbraw/zinc/05/19/91/351051991.db2.gz XUBVYLFXKLBGRM-CYBMUJFWSA-N -1 3 298.289 1.284 10 0 CDAEHM CC(C)N(CC(=O)[N-]OCc1ccccc1)[C@H]1CCOC1 ZINC000291674262 198059023 /nfs/dbraw/zinc/05/90/23/198059023.db2.gz GMCQRHNYZWRJGU-HNNXBMFYSA-N -1 3 292.379 1.734 10 0 CDAEHM Cc1cc(CN(C)Cc2cc(=O)c([O-])co2)no1 ZINC000123885282 187113212 /nfs/dbraw/zinc/11/32/12/187113212.db2.gz SUOQNIJEYKGYAY-UHFFFAOYSA-N -1 3 250.254 1.274 10 0 CDAEHM CN(C)c1ccc(NC([O-])=NO[C@@H]2CCCCO2)cn1 ZINC000155717230 188223581 /nfs/dbraw/zinc/22/35/81/188223581.db2.gz BVLXSMRTESHLJJ-GFCCVEGCSA-N -1 3 280.328 1.727 10 0 CDAEHM CN(C)c1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cn1 ZINC000155717230 188223582 /nfs/dbraw/zinc/22/35/82/188223582.db2.gz BVLXSMRTESHLJJ-GFCCVEGCSA-N -1 3 280.328 1.727 10 0 CDAEHM CO[C@@H](C)[C@@H](C)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000292599253 198346181 /nfs/dbraw/zinc/34/61/81/198346181.db2.gz QHWRMWRVWKNXGZ-SCZZXKLOSA-N -1 3 281.356 1.271 10 0 CDAEHM COc1nnc(NC(=O)C2(c3ccccc3)CCC2)[n-]1 ZINC000158169512 188361152 /nfs/dbraw/zinc/36/11/52/188361152.db2.gz NHJASPQTTQYBGI-UHFFFAOYSA-N -1 3 272.308 1.874 10 0 CDAEHM COc1nc(NC(=O)C2(c3ccccc3)CCC2)n[n-]1 ZINC000158169512 188361153 /nfs/dbraw/zinc/36/11/53/188361153.db2.gz NHJASPQTTQYBGI-UHFFFAOYSA-N -1 3 272.308 1.874 10 0 CDAEHM COc1n[n-]c(NC(=O)C2(c3ccccc3)CCC2)n1 ZINC000158169512 188361155 /nfs/dbraw/zinc/36/11/55/188361155.db2.gz NHJASPQTTQYBGI-UHFFFAOYSA-N -1 3 272.308 1.874 10 0 CDAEHM CCN1CCC[C@H](N=c2[n-]nc(C(F)F)s2)C1 ZINC000336732037 366128540 /nfs/dbraw/zinc/12/85/40/366128540.db2.gz ZFAJPOYPHALLAH-ZETCQYMHSA-N -1 3 262.329 1.794 10 0 CDAEHM COc1ccc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cn1 ZINC000569457250 358482586 /nfs/dbraw/zinc/48/25/86/358482586.db2.gz QDGGFAPCTHDXMG-PWSUYJOCSA-N -1 3 264.325 1.633 10 0 CDAEHM Cc1cc(CS(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)on1 ZINC000336303788 363334238 /nfs/dbraw/zinc/33/42/38/363334238.db2.gz PBHVPVQBNFAELJ-VIFPVBQESA-N -1 3 294.323 1.980 10 0 CDAEHM Cc1cc(C(=O)NCC2(C)OCCCO2)ccc1[O-] ZINC000276838679 366177341 /nfs/dbraw/zinc/17/73/41/366177341.db2.gz CGTPTGCOWSSHSK-UHFFFAOYSA-N -1 3 265.309 1.584 10 0 CDAEHM COc1ccc(C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c([O-])c1 ZINC000629761661 363410292 /nfs/dbraw/zinc/41/02/92/363410292.db2.gz IASMROSTZPLWDS-MRCXROJRSA-N -1 3 277.320 1.386 10 0 CDAEHM CSc1ccc(C)c(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000271897078 191397510 /nfs/dbraw/zinc/39/75/10/191397510.db2.gz PKDZJNUAKVFWMX-JTQLQIEISA-N -1 3 293.348 1.254 10 0 CDAEHM CCOC(=O)[C@@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000036869240 356264059 /nfs/dbraw/zinc/26/40/59/356264059.db2.gz GCVBEHZNPFGDFQ-ZDUSSCGKSA-N -1 3 277.320 1.950 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000628043993 356421040 /nfs/dbraw/zinc/42/10/40/356421040.db2.gz CJQIOFULRHZPGD-LBPRGKRZSA-N -1 3 286.335 1.454 10 0 CDAEHM COC[C@@H](C)n1ncc2ccc(OC)c(=O)c-2c1[O-] ZINC000634611232 356570121 /nfs/dbraw/zinc/57/01/21/356570121.db2.gz QDNGHWUZLCOEQA-MRVPVSSYSA-N -1 3 264.281 1.318 10 0 CDAEHM COC[C@@H](C)n1ncc2ccc(OC)c([O-])c2c1=O ZINC000634611232 356570122 /nfs/dbraw/zinc/57/01/22/356570122.db2.gz QDNGHWUZLCOEQA-MRVPVSSYSA-N -1 3 264.281 1.318 10 0 CDAEHM O=C1C[C@@]2(CCOC2)C(=O)[N-]N1c1ccc(Cl)c(F)c1 ZINC000634616434 356577964 /nfs/dbraw/zinc/57/79/64/356577964.db2.gz MOWIJVKTTFVEHE-CYBMUJFWSA-N -1 3 298.701 1.654 10 0 CDAEHM CCn1cc(-c2[n-]nnc2C(=O)OC(C)(C)C)cn1 ZINC000725266248 538456301 /nfs/dbraw/zinc/45/63/01/538456301.db2.gz BKJNTVXWIRFIPR-UHFFFAOYSA-N -1 3 263.301 1.643 10 0 CDAEHM CCn1cc(-c2nn[n-]c2C(=O)OC(C)(C)C)cn1 ZINC000725266248 538456303 /nfs/dbraw/zinc/45/63/03/538456303.db2.gz BKJNTVXWIRFIPR-UHFFFAOYSA-N -1 3 263.301 1.643 10 0 CDAEHM CCn1cc(-c2n[n-]nc2C(=O)OC(C)(C)C)cn1 ZINC000725266248 538456305 /nfs/dbraw/zinc/45/63/05/538456305.db2.gz BKJNTVXWIRFIPR-UHFFFAOYSA-N -1 3 263.301 1.643 10 0 CDAEHM O=C(CN1CCOCC1)[N-]c1cc(-c2cccs2)no1 ZINC000031597849 356766423 /nfs/dbraw/zinc/76/64/23/356766423.db2.gz WSJUSFIJLGCEHL-UHFFFAOYSA-N -1 3 293.348 1.674 10 0 CDAEHM Cc1ncoc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000095209943 538683903 /nfs/dbraw/zinc/68/39/03/538683903.db2.gz FFMKECLBJYABFW-UHFFFAOYSA-N -1 3 284.279 1.339 10 0 CDAEHM Cc1ncoc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000095209943 538683912 /nfs/dbraw/zinc/68/39/12/538683912.db2.gz FFMKECLBJYABFW-UHFFFAOYSA-N -1 3 284.279 1.339 10 0 CDAEHM CC(C)C[C@@H](CO)N(C)C(=O)Cc1cncc([O-])c1 ZINC000584063102 356864995 /nfs/dbraw/zinc/86/49/95/356864995.db2.gz HXOIYPUJKBTLPQ-LBPRGKRZSA-N -1 3 266.341 1.195 10 0 CDAEHM COC[C@@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000181888326 357388076 /nfs/dbraw/zinc/38/80/76/357388076.db2.gz UAGDOZUNYFOPJS-SSDOTTSWSA-N -1 3 264.285 1.594 10 0 CDAEHM COC[C@@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000181888326 357388077 /nfs/dbraw/zinc/38/80/77/357388077.db2.gz UAGDOZUNYFOPJS-SSDOTTSWSA-N -1 3 264.285 1.594 10 0 CDAEHM COC[C@@H](C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000181888326 357388081 /nfs/dbraw/zinc/38/80/81/357388081.db2.gz UAGDOZUNYFOPJS-SSDOTTSWSA-N -1 3 264.285 1.594 10 0 CDAEHM Cc1c([C@H](C)NC(=O)c2cccc([O-])c2)cnn1C ZINC000181942829 357392585 /nfs/dbraw/zinc/39/25/85/357392585.db2.gz HAXAEYFKQAYESA-VIFPVBQESA-N -1 3 259.309 1.925 10 0 CDAEHM COc1ccc(C(=O)NC[C@H](O)C(C)(C)C)c([O-])c1 ZINC000120269702 358105713 /nfs/dbraw/zinc/10/57/13/358105713.db2.gz LWKQIFULDJREBX-LBPRGKRZSA-N -1 3 267.325 1.538 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000408202792 358384943 /nfs/dbraw/zinc/38/49/43/358384943.db2.gz NZRTWBWYQPRDKP-ZDUSSCGKSA-N -1 3 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376453660 /nfs/dbraw/zinc/45/36/60/376453660.db2.gz UFAPYAOXTXIJBF-UHFFFAOYSA-N -1 3 293.772 1.922 10 0 CDAEHM O=C(c1csc(=O)[n-]1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000334613056 376546993 /nfs/dbraw/zinc/54/69/93/376546993.db2.gz BBHNSVRCRSVZMH-ZANVPECISA-N -1 3 282.365 1.616 10 0 CDAEHM COC(=O)CN(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331226786 376674633 /nfs/dbraw/zinc/67/46/33/376674633.db2.gz DAENQPBZCYULDK-UHFFFAOYSA-N -1 3 293.319 1.351 10 0 CDAEHM C[C@H]1CC2(CCC2)CN1C(=O)C(=O)[N-]c1cnns1 ZINC000433631461 248046783 /nfs/dbraw/zinc/04/67/83/248046783.db2.gz KVBSMCBMNWZADM-QMMMGPOBSA-N -1 3 280.353 1.268 10 0 CDAEHM C/C=C/C[C@H]([N-]S(=O)(=O)CC1CC1)C(=O)OCC ZINC000433878476 248061765 /nfs/dbraw/zinc/06/17/65/248061765.db2.gz GZPIGNOXCGDVAK-TZNOJPMFSA-N -1 3 275.370 1.214 10 0 CDAEHM COC[C@@H](C)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000344719448 376805086 /nfs/dbraw/zinc/80/50/86/376805086.db2.gz WEKBRJBSAKSPKV-SSDOTTSWSA-N -1 3 298.286 1.414 10 0 CDAEHM CC(C)([N-]S(=O)(=O)c1ccccn1)C1CCC1 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COc1nccc(CO[N-]C(=O)Cc2ccc(C)cc2)n1 ZINC000842027078 778016437 /nfs/dbraw/zinc/01/64/37/778016437.db2.gz XFGCWUGITIANDL-UHFFFAOYSA-N -1 3 287.319 1.584 10 0 CDAEHM CSC1CCN(Cc2nc(C)cc(=O)[n-]2)CC1 ZINC000879099105 778348196 /nfs/dbraw/zinc/34/81/96/778348196.db2.gz LYUAABUGPSTAQY-UHFFFAOYSA-N -1 3 253.371 1.818 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)nn1 ZINC000866561427 778568622 /nfs/dbraw/zinc/56/86/22/778568622.db2.gz DQRUDOIZMRHLFN-LBPRGKRZSA-N -1 3 289.360 1.403 10 0 CDAEHM O=S(=O)([N-]CC[C@@H]1C[C@H]1C1CC1)c1cccnc1F ZINC000712785208 778574131 /nfs/dbraw/zinc/57/41/31/778574131.db2.gz NMDBEPJPQJSMCV-MNOVXSKESA-N -1 3 284.356 1.935 10 0 CDAEHM CC(C)[C@@H](CO)O[N-]C(=O)C[C@@H](O)CC(C)(C)C ZINC000836893820 778627767 /nfs/dbraw/zinc/62/77/67/778627767.db2.gz MVGFUEJGHNHWBD-GHMZBOCLSA-N -1 3 261.362 1.238 10 0 CDAEHM CCN1[C@H](C)CN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC000880608831 778735426 /nfs/dbraw/zinc/73/54/26/778735426.db2.gz LCNYOWPJHCIVSO-PHIMTYICSA-N -1 3 263.341 1.342 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)c1ccns1 ZINC000867567013 778839920 /nfs/dbraw/zinc/83/99/20/778839920.db2.gz JTTIEKJGNGMDGZ-RXMQYKEDSA-N -1 3 291.379 1.345 10 0 CDAEHM C[C@H]1[C@H](NC(=O)c2c([O-])cccc2F)CCN1C ZINC000719336462 778890452 /nfs/dbraw/zinc/89/04/52/778890452.db2.gz FMTQAIFZBVYRDA-WCBMZHEXSA-N -1 3 252.289 1.354 10 0 CDAEHM O=C([O-])c1ccc(CNC[C@H]2CC[C@@H](C3CC3)O2)nc1 ZINC000722337290 778968061 /nfs/dbraw/zinc/96/80/61/778968061.db2.gz IBDLVVDECQSASQ-KGLIPLIRSA-N -1 3 276.336 1.827 10 0 CDAEHM C[N-]S(=O)(=O)c1cc(C(=O)OCC2(F)CC2)c(C)o1 ZINC000789593522 779044511 /nfs/dbraw/zinc/04/45/11/779044511.db2.gz YIJISTPNIMBQPL-UHFFFAOYSA-N -1 3 291.300 1.155 10 0 CDAEHM COCCN(Cc1ccccn1)Cc1nc(C)cc(=O)[n-]1 ZINC000805783141 779079413 /nfs/dbraw/zinc/07/94/13/779079413.db2.gz SUZZGUUTKLTYHE-UHFFFAOYSA-N -1 3 288.351 1.534 10 0 CDAEHM CC(=O)[N-]O[C@@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000781618474 779081948 /nfs/dbraw/zinc/08/19/48/779081948.db2.gz XMZYWIFXXDTPHS-CYBMUJFWSA-N -1 3 280.299 1.697 10 0 CDAEHM CO[C@@H]1CC[C@H](C)N(C(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC000870710855 779087568 /nfs/dbraw/zinc/08/75/68/779087568.db2.gz KMEJASJWNFAACB-JOYOIKCWSA-N -1 3 293.367 1.367 10 0 CDAEHM CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)[N-]OC1CCC1 ZINC000823303411 779331734 /nfs/dbraw/zinc/33/17/34/779331734.db2.gz ZXUBNYJKUFVHQY-GHMZBOCLSA-N -1 3 269.341 1.955 10 0 CDAEHM COC(=O)c1cc(F)ccc1COC(=O)c1cnn[n-]1 ZINC000805603032 779410812 /nfs/dbraw/zinc/41/08/12/779410812.db2.gz FIVFQYCTCFHEFV-UHFFFAOYSA-N -1 3 279.227 1.087 10 0 CDAEHM COC(=O)c1cc(F)ccc1COC(=O)c1c[n-]nn1 ZINC000805603032 779410820 /nfs/dbraw/zinc/41/08/20/779410820.db2.gz FIVFQYCTCFHEFV-UHFFFAOYSA-N -1 3 279.227 1.087 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCC(c3ccn(C)n3)CC2)n1 ZINC000932143988 779568039 /nfs/dbraw/zinc/56/80/39/779568039.db2.gz KHALYDONCUUKCP-UHFFFAOYSA-N -1 3 287.367 1.604 10 0 CDAEHM COCCO[C@@H](C)c1nnc([N-]Cc2cc(C)on2)o1 ZINC000849162042 779582522 /nfs/dbraw/zinc/58/25/22/779582522.db2.gz QXURKPXAOKXJBM-VIFPVBQESA-N -1 3 282.300 1.702 10 0 CDAEHM C[C@@H](O)CN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805788667 779609829 /nfs/dbraw/zinc/60/98/29/779609829.db2.gz LTLPXAIQDZDTMC-JXUBOQSCSA-N -1 3 282.306 1.145 10 0 CDAEHM O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1nnc2ccccc2c1[O-] ZINC000855924985 779693178 /nfs/dbraw/zinc/69/31/78/779693178.db2.gz NWKWQDHMYAIUPA-VXGBXAGGSA-N -1 3 299.330 1.369 10 0 CDAEHM CC(=O)C1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000707853173 779801607 /nfs/dbraw/zinc/80/16/07/779801607.db2.gz OLSLONRJTTXZKK-UHFFFAOYSA-N -1 3 263.293 1.539 10 0 CDAEHM CN(C(=O)c1cc2c(cc1[O-])OCO2)c1nncs1 ZINC000436657542 779916877 /nfs/dbraw/zinc/91/68/77/779916877.db2.gz JAKMWSGSWCOPJR-UHFFFAOYSA-N -1 3 279.277 1.249 10 0 CDAEHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)[C@H](C)O ZINC000346410575 780137235 /nfs/dbraw/zinc/13/72/35/780137235.db2.gz PQOFWAAVPPTRNK-BDAKNGLRSA-N -1 3 260.293 1.027 10 0 CDAEHM O=C(CCc1nnc[nH]1)Nc1cccc(F)c1[O-] ZINC001632182892 1166334441 /nfs/dbraw/zinc/33/44/41/1166334441.db2.gz UYNBFBXWQPDXRM-UHFFFAOYSA-N -1 3 250.233 1.221 10 0 CDAEHM Cn1ccc(CCC(=O)[N-]Oc2ccc(F)cc2)n1 ZINC001632409076 1166348359 /nfs/dbraw/zinc/34/83/59/1166348359.db2.gz ULXIDVGBLFTOFJ-UHFFFAOYSA-N -1 3 263.272 1.602 10 0 CDAEHM CCOC=CC(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001634452071 1166501186 /nfs/dbraw/zinc/50/11/86/1166501186.db2.gz IZUOEBBZUIAQML-WAYWQWQTSA-N -1 3 263.297 1.226 10 0 CDAEHM O=C(NCCNC(=O)[C@H]1CC=CCC1)c1ccccc1[O-] ZINC000055377991 1167017236 /nfs/dbraw/zinc/01/72/36/1167017236.db2.gz MEURKGKQHFBHBS-LBPRGKRZSA-N -1 3 288.347 1.595 10 0 CDAEHM Fc1cccc2oc(SCCc3nnn[n-]3)nc21 ZINC001458449486 1167740028 /nfs/dbraw/zinc/74/00/28/1167740028.db2.gz QOOCMJVVYJNACW-UHFFFAOYSA-N -1 3 265.273 1.815 10 0 CDAEHM Fc1cccc2oc(SCCc3nn[n-]n3)nc21 ZINC001458449486 1167740037 /nfs/dbraw/zinc/74/00/37/1167740037.db2.gz QOOCMJVVYJNACW-UHFFFAOYSA-N -1 3 265.273 1.815 10 0 CDAEHM CC(=O)N[C@@H](C)[C@@H](C)NCc1nc(=O)c2sccc2[n-]1 ZINC001485113476 916519759 /nfs/dbraw/zinc/51/97/59/916519759.db2.gz YCPUKFORTCVNGG-SFYZADRCSA-N -1 3 294.380 1.400 10 0 CDAEHM CCO[C@@H]1C[C@@H]1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001413546665 936163828 /nfs/dbraw/zinc/16/38/28/936163828.db2.gz SKOLMRDZKZXQDM-WDEREUQCSA-N -1 3 277.324 1.101 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)C(=O)C(C)(C)C)[n-]n1 ZINC001137978719 936446560 /nfs/dbraw/zinc/44/65/60/936446560.db2.gz OUXUIIBKQXAXTL-UHFFFAOYSA-N -1 3 267.285 1.140 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)C(=O)C(C)(C)C)n[n-]1 ZINC001137978719 936446562 /nfs/dbraw/zinc/44/65/62/936446562.db2.gz OUXUIIBKQXAXTL-UHFFFAOYSA-N -1 3 267.285 1.140 10 0 CDAEHM O=C(Nc1ccc(Cl)cc1[O-])c1ccnc2n[nH]nc21 ZINC001138015149 936454428 /nfs/dbraw/zinc/45/44/28/936454428.db2.gz RYLSPDBXSWBYAB-UHFFFAOYSA-N -1 3 289.682 1.964 10 0 CDAEHM CCC[C@H](C)C(=O)N(C)C1CC(NCc2n[nH]c(=O)[n-]2)C1 ZINC001486457629 921035382 /nfs/dbraw/zinc/03/53/82/921035382.db2.gz HAYIHYOTDTTYON-WHXUTIOJSA-N -1 3 295.387 1.026 10 0 CDAEHM O=C(CCc1c[nH]cn1)Nc1ccc([O-])c(F)c1F ZINC001140657448 936735675 /nfs/dbraw/zinc/73/56/75/936735675.db2.gz RGFVIOBMSAZOCT-UHFFFAOYSA-N -1 3 267.235 1.965 10 0 CDAEHM O=C(CCc1cnc[nH]1)Nc1ccc([O-])c(F)c1F ZINC001140657448 936735677 /nfs/dbraw/zinc/73/56/77/936735677.db2.gz RGFVIOBMSAZOCT-UHFFFAOYSA-N -1 3 267.235 1.965 10 0 CDAEHM O=C(Nc1cccc(C2CC2)n1)c1cc(=O)[n-]cn1 ZINC001141295391 936841527 /nfs/dbraw/zinc/84/15/27/936841527.db2.gz RFKLEBJMDDZILA-UHFFFAOYSA-N -1 3 256.265 1.707 10 0 CDAEHM CC=CC=CC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001141843822 936946767 /nfs/dbraw/zinc/94/67/67/936946767.db2.gz XIXYZFPKDVHHCV-HOJFPOIOSA-N -1 3 269.308 1.861 10 0 CDAEHM CC=CC=CC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001141843822 936946770 /nfs/dbraw/zinc/94/67/70/936946770.db2.gz XIXYZFPKDVHHCV-HOJFPOIOSA-N -1 3 269.308 1.861 10 0 CDAEHM O=C(N1CC[C@H](c2cc(=O)[nH][n-]2)C1)C1(C(F)F)CC1 ZINC000825675886 925880963 /nfs/dbraw/zinc/88/09/63/925880963.db2.gz AMAQTFVUEASSQQ-ZETCQYMHSA-N -1 3 271.267 1.477 10 0 CDAEHM C[C@H]1CC[C@@H]1NC(=O)c1nnc2ccccc2c1[O-] ZINC001117273668 937505632 /nfs/dbraw/zinc/50/56/32/937505632.db2.gz HTPOGWLSHKVKMS-WPRPVWTQSA-N -1 3 257.293 1.864 10 0 CDAEHM O=C(Nc1ncccc1[O-])c1cc(C(F)(F)F)ncn1 ZINC001412019880 932214190 /nfs/dbraw/zinc/21/41/90/932214190.db2.gz LNFGJTKDRRSFRZ-UHFFFAOYSA-N -1 3 284.197 1.848 10 0 CDAEHM CSc1ncc(C(=O)N(C)[C@@H]2CCCN(C)C2)c(=O)[n-]1 ZINC001412615168 932560766 /nfs/dbraw/zinc/56/07/66/932560766.db2.gz AFZJZSOQBUPZHK-SECBINFHSA-N -1 3 296.396 1.070 10 0 CDAEHM C[C@H](NC(=O)[C@@H]1CCCO1)c1nc(C(F)(F)F)n[n-]1 ZINC001412705175 932651676 /nfs/dbraw/zinc/65/16/76/932651676.db2.gz MEZWWVZSEBFLLC-WDSKDSINSA-N -1 3 278.234 1.180 10 0 CDAEHM COc1ccc(C(=O)N[C@@H](C)c2cnccn2)c([O-])c1 ZINC001413192988 935940219 /nfs/dbraw/zinc/94/02/19/935940219.db2.gz CYEIYRHRDHOJRU-VIFPVBQESA-N -1 3 273.292 1.682 10 0 CDAEHM CSc1cccnc1C(=O)NCc1nc(C)cc(=O)[n-]1 ZINC001413238662 935962205 /nfs/dbraw/zinc/96/22/05/935962205.db2.gz SMKCDTUENIHVRS-UHFFFAOYSA-N -1 3 290.348 1.538 10 0 CDAEHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1cccnc1F ZINC000401816018 940881526 /nfs/dbraw/zinc/88/15/26/940881526.db2.gz AKOGHZRECXEMMG-JTQLQIEISA-N -1 3 290.360 1.296 10 0 CDAEHM C[C@H](CNC(=O)c1cnncc1[O-])N(C)c1ccccc1 ZINC001362050727 970819715 /nfs/dbraw/zinc/81/97/15/970819715.db2.gz DBBPSFBBWLZBRQ-LLVKDONJSA-N -1 3 286.335 1.437 10 0 CDAEHM c1ccc2[nH]c(CN3CC[C@H](c4nnn[n-]4)C3)nc2c1 ZINC001473752937 970842301 /nfs/dbraw/zinc/84/23/01/970842301.db2.gz OTJNDIIWAXVVSH-VIFPVBQESA-N -1 3 269.312 1.066 10 0 CDAEHM c1ccc2[nH]c(CN3CC[C@H](c4nn[n-]n4)C3)nc2c1 ZINC001473752937 970842307 /nfs/dbraw/zinc/84/23/07/970842307.db2.gz OTJNDIIWAXVVSH-VIFPVBQESA-N -1 3 269.312 1.066 10 0 CDAEHM COc1cc(CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)on1 ZINC001473766908 970846529 /nfs/dbraw/zinc/84/65/29/970846529.db2.gz XNBBEXPFIGNTTB-UHFFFAOYSA-N -1 3 288.307 1.572 10 0 CDAEHM COc1nnc(NC(=O)C23CC(C(F)(F)F)(C2)C3)[n-]1 ZINC001362151172 970947911 /nfs/dbraw/zinc/94/79/11/970947911.db2.gz AWMWRVJDKISKLI-UHFFFAOYSA-N -1 3 276.218 1.484 10 0 CDAEHM COc1nc(NC(=O)C23CC(C(F)(F)F)(C2)C3)n[n-]1 ZINC001362151172 970947917 /nfs/dbraw/zinc/94/79/17/970947917.db2.gz AWMWRVJDKISKLI-UHFFFAOYSA-N -1 3 276.218 1.484 10 0 CDAEHM COc1n[n-]c(NC(=O)C23CC(C(F)(F)F)(C2)C3)n1 ZINC001362151172 970947921 /nfs/dbraw/zinc/94/79/21/970947921.db2.gz AWMWRVJDKISKLI-UHFFFAOYSA-N -1 3 276.218 1.484 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H](C)c1ccncc1 ZINC001362207809 971013957 /nfs/dbraw/zinc/01/39/57/971013957.db2.gz MHKDZSUHLJPLJC-SSDOTTSWSA-N -1 3 274.280 1.333 10 0 CDAEHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(CO)cc1 ZINC001263648762 943930294 /nfs/dbraw/zinc/93/02/94/943930294.db2.gz DNBFGCNBIVSSDY-UHFFFAOYSA-N -1 3 296.323 1.574 10 0 CDAEHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(CO)cc1 ZINC001263648762 943930298 /nfs/dbraw/zinc/93/02/98/943930298.db2.gz DNBFGCNBIVSSDY-UHFFFAOYSA-N -1 3 296.323 1.574 10 0 CDAEHM O=C([C@@H]1C[C@H]1c1ccco1)N1CCc2c(=O)[n-]cnc2C1 ZINC001362655939 971498827 /nfs/dbraw/zinc/49/88/27/971498827.db2.gz WPGLGJQSRIOLTD-GHMZBOCLSA-N -1 3 285.303 1.464 10 0 CDAEHM CN(C)c1ncc(CN2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])s1 ZINC001650013481 1169605632 /nfs/dbraw/zinc/60/56/32/1169605632.db2.gz XIXDRAOUFCMVOD-AXFHLTTASA-N -1 3 281.381 1.362 10 0 CDAEHM Nc1ccc(F)cc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001296620726 954888857 /nfs/dbraw/zinc/88/88/57/954888857.db2.gz PUTNAPFSBXFFLM-UHFFFAOYSA-N -1 3 288.282 1.102 10 0 CDAEHM CC(=O)c1cccc(NC(=O)CCc2ncccn2)c1[O-] ZINC001298749113 955239250 /nfs/dbraw/zinc/23/92/50/955239250.db2.gz OTDUKSULOKWKGR-UHFFFAOYSA-N -1 3 285.303 1.956 10 0 CDAEHM CCCOc1ccnc(NCCc2c(C)[n-][nH]c2=O)n1 ZINC001365215663 955738866 /nfs/dbraw/zinc/73/88/66/955738866.db2.gz OVWAYHVQTYTARR-SNVBAGLBSA-N -1 3 277.328 1.189 10 0 CDAEHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)[C@H](O)C1CCC1 ZINC001363427975 972160866 /nfs/dbraw/zinc/16/08/66/972160866.db2.gz DLTAIUYJNIAGOE-LLVKDONJSA-N -1 3 291.286 1.105 10 0 CDAEHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)[C@H](O)C1CCC1 ZINC001363427975 972160870 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C[C@@H]1C[C@@H](C(=O)Nc2ccncc2[O-])C[C@H](C)O1 ZINC000408078707 357809788 /nfs/dbraw/zinc/80/97/88/357809788.db2.gz DDCGPPZERGFVLX-ILWJIGKKSA-N -1 3 250.298 1.351 10 0 CDAEHM C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000075288723 357941134 /nfs/dbraw/zinc/94/11/34/357941134.db2.gz KCSDGYNSELXTAI-VHSXEESVSA-N -1 3 286.331 1.831 10 0 CDAEHM O=C(N=c1cc2ccccn2[n-]1)NCCc1ccccc1O ZINC000582113951 358167117 /nfs/dbraw/zinc/16/71/17/358167117.db2.gz FNCFDWXSDRYILJ-UHFFFAOYSA-N -1 3 296.330 1.826 10 0 CDAEHM O=C(c1c([O-])cccc1O)N1CCO[C@H](C(F)F)CC1 ZINC000634743390 358185727 /nfs/dbraw/zinc/18/57/27/358185727.db2.gz SBMSXRUXNQXOFZ-JTQLQIEISA-N -1 3 287.262 1.594 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](CO)c2ccccc2)n1 ZINC000192723980 358230159 /nfs/dbraw/zinc/23/01/59/358230159.db2.gz KGBAIKFJULKNGO-DGCLKSJQSA-N -1 3 273.336 1.875 10 0 CDAEHM Cc1ccc(NC(=O)[C@@H]2CC(=O)N[C@@H](C)C2)c([O-])c1 ZINC000408161846 358220638 /nfs/dbraw/zinc/22/06/38/358220638.db2.gz 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CC(=O)[N-]OCC(=O)Nc1ccc(C(C)C)cc1 ZINC000178196196 189096911 /nfs/dbraw/zinc/09/69/11/189096911.db2.gz PBOPOCFQSUMPFW-UHFFFAOYSA-N -1 3 250.298 1.816 10 0 CDAEHM Cc1cscc1-c1noc(CN2CC(=O)[N-]C2=O)n1 ZINC000277906717 366684769 /nfs/dbraw/zinc/68/47/69/366684769.db2.gz IJHNDQBOYMGMIE-UHFFFAOYSA-N -1 3 278.293 1.158 10 0 CDAEHM CC1(C)CCC[C@@H]1CN=c1[n-]c(C(N)=O)cs1 ZINC000338812375 361054833 /nfs/dbraw/zinc/05/48/33/361054833.db2.gz RIBSAEGLGIXANX-MRVPVSSYSA-N -1 3 253.371 1.902 10 0 CDAEHM NC(=O)c1csc(=NCCc2ccc(Cl)cc2)[n-]1 ZINC000432339508 361148969 /nfs/dbraw/zinc/14/89/69/361148969.db2.gz IZZOFMGVZQIQGD-UHFFFAOYSA-N -1 3 281.768 1.972 10 0 CDAEHM CN(C)CCN(C)C(=O)N=c1ncn(C2CCCCC2)[n-]1 ZINC000350741259 361156203 /nfs/dbraw/zinc/15/62/03/361156203.db2.gz MLWQDJLJMRDFRS-UHFFFAOYSA-N -1 3 294.403 1.231 10 0 CDAEHM CC(C)c1ccc(C(=O)N[C@@H]2COCCC2=O)c([O-])c1 ZINC000628885233 361254182 /nfs/dbraw/zinc/25/41/82/361254182.db2.gz HUQBTPRRHKXJAH-GFCCVEGCSA-N -1 3 277.320 1.603 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N[C@@H]2COCCC2=O)c1 ZINC000628885298 361255645 /nfs/dbraw/zinc/25/56/45/361255645.db2.gz INQRRGBXBDBXAU-LLVKDONJSA-N -1 3 263.293 1.042 10 0 CDAEHM CC(C)CCNC(=O)[C@H](C)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000568510690 294049814 /nfs/dbraw/zinc/04/98/14/294049814.db2.gz BLTXTHGQRIWWQR-FRRDWIJNSA-N -1 3 284.400 1.580 10 0 CDAEHM CC(C)C(=O)C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000133681253 361424577 /nfs/dbraw/zinc/42/45/77/361424577.db2.gz JRHUGYRQERDPDJ-UHFFFAOYSA-N -1 3 295.282 1.607 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)cs1 ZINC000629094272 361505307 /nfs/dbraw/zinc/50/53/07/361505307.db2.gz VJMFOICBOJXIBE-IINYFYTJSA-N -1 3 295.408 1.231 10 0 CDAEHM Cc1ccc(C(=O)NC[C@@H](CO)C2CC2)c([O-])c1C ZINC000436619047 361542703 /nfs/dbraw/zinc/54/27/03/361542703.db2.gz NSNPWFZKXHYELB-LBPRGKRZSA-N -1 3 263.337 1.757 10 0 CDAEHM O=C(NCCc1ccccc1O)c1c([O-])cccc1O ZINC000436646712 361548715 /nfs/dbraw/zinc/54/87/15/361548715.db2.gz IXPDNFPXQVXSPG-UHFFFAOYSA-N -1 3 273.288 1.776 10 0 CDAEHM COCc1ccsc1C(=O)[N-]c1ncn(C)n1 ZINC000356416124 361631340 /nfs/dbraw/zinc/63/13/40/361631340.db2.gz HVIVRVVEMXYAHV-UHFFFAOYSA-N -1 3 252.299 1.275 10 0 CDAEHM CCN(CC(N)=O)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436995638 361634241 /nfs/dbraw/zinc/63/42/41/361634241.db2.gz RBYJZHPNNCUZRE-UHFFFAOYSA-N -1 3 292.335 1.053 10 0 CDAEHM COc1cc(C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)ccc1[O-] ZINC000629134172 361619800 /nfs/dbraw/zinc/61/98/00/361619800.db2.gz ZOPFAGRCPVCCDT-WCQYABFASA-N -1 3 277.320 1.698 10 0 CDAEHM COCCN(C(=O)c1ccc(OC)cc1[O-])[C@H]1CCOC1 ZINC000436746553 364099578 /nfs/dbraw/zinc/09/95/78/364099578.db2.gz YRLXGOKZEDAMRR-NSHDSACASA-N -1 3 295.335 1.278 10 0 CDAEHM C[C@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)C1CCOCC1 ZINC000122045808 370717902 /nfs/dbraw/zinc/71/79/02/370717902.db2.gz VIPPFPANGRCPDS-LURJTMIESA-N -1 3 292.261 1.825 10 0 CDAEHM C[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)C1CCOCC1 ZINC000122045808 370717910 /nfs/dbraw/zinc/71/79/10/370717910.db2.gz 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ZINC000190282764 377812387 /nfs/dbraw/zinc/81/23/87/377812387.db2.gz BXFLQDKQOIUJOI-SNVBAGLBSA-N -1 3 258.281 1.318 10 0 CDAEHM O=C(N[C@@H]1CCCc2c(O)cccc21)c1cnn[n-]1 ZINC000190282764 377812393 /nfs/dbraw/zinc/81/23/93/377812393.db2.gz BXFLQDKQOIUJOI-SNVBAGLBSA-N -1 3 258.281 1.318 10 0 CDAEHM O=C(N[C@@H]1CCCc2c(O)cccc21)c1cn[n-]n1 ZINC000190282764 377812402 /nfs/dbraw/zinc/81/24/02/377812402.db2.gz BXFLQDKQOIUJOI-SNVBAGLBSA-N -1 3 258.281 1.318 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(=O)[nH]1)[C@@H]1CC12CCCC2 ZINC000633520217 378508613 /nfs/dbraw/zinc/50/86/13/378508613.db2.gz BEZIIPLAMNSWRO-VIFPVBQESA-N -1 3 263.297 1.084 10 0 CDAEHM CC[C@@H](C)[C@H](C)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633520691 378509959 /nfs/dbraw/zinc/50/99/59/378509959.db2.gz JSQMTTKDTFVQPC-SFYZADRCSA-N -1 3 253.302 1.186 10 0 CDAEHM COc1cc(C(=O)N[C@@H]2CCOC[C@H]2C)cc(OC)c1[O-] ZINC000278636852 194079911 /nfs/dbraw/zinc/07/99/11/194079911.db2.gz SCSFLJLZOOUUDU-MWLCHTKSSA-N -1 3 295.335 1.564 10 0 CDAEHM COc1cc(C(=O)N2C[C@H](OC)C[C@]2(C)CO)ccc1[O-] ZINC000634073640 379022038 /nfs/dbraw/zinc/02/20/38/379022038.db2.gz XMGXJORUNBCQEG-IAQYHMDHSA-N -1 3 295.335 1.013 10 0 CDAEHM COC[C@@H](NCc1nc(C)ccc1[O-])[C@H]1CCCO1 ZINC000278646353 194082235 /nfs/dbraw/zinc/08/22/35/194082235.db2.gz MBIRHIJZKXICDY-TZMCWYRMSA-N -1 3 266.341 1.379 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@H]2CCOC[C@H]2C)c1 ZINC000278817193 194168253 /nfs/dbraw/zinc/16/82/53/194168253.db2.gz ZXKWCBMDJWPDLE-SKDRFNHKSA-N -1 3 265.309 1.556 10 0 CDAEHM NC(=O)[C@H]1CCC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000449866024 251053116 /nfs/dbraw/zinc/05/31/16/251053116.db2.gz CQNXPINOAJQUHC-QWRGUYRKSA-N -1 3 294.326 1.234 10 0 CDAEHM CCOC(=O)c1csc(=NCC[C@H](O)C(F)(F)F)[n-]1 ZINC000450327038 251224276 /nfs/dbraw/zinc/22/42/76/251224276.db2.gz AJUFMERNNNKRBF-ZETCQYMHSA-N -1 3 298.286 1.467 10 0 CDAEHM CC[C@@H](NC(=O)c1ccc2n[n-]nc2c1)[C@H](O)C(F)F ZINC000452501152 252080434 /nfs/dbraw/zinc/08/04/34/252080434.db2.gz NHIYMHBEPCAYQD-XCBNKYQSSA-N -1 3 284.266 1.092 10 0 CDAEHM COc1ccc(CN2CCN(CCC(=O)[O-])CC2)cc1C ZINC000086730390 184611112 /nfs/dbraw/zinc/61/11/12/184611112.db2.gz GGZXZGOEYCNPDA-UHFFFAOYSA-N -1 3 292.379 1.596 10 0 CDAEHM C[C@@H](c1ccc2c(c1)OCO2)N1CCN(CC(=O)[O-])CC1 ZINC000086731361 184611304 /nfs/dbraw/zinc/61/13/04/184611304.db2.gz JGZBXRBOAFHKOP-NSHDSACASA-N -1 3 292.335 1.179 10 0 CDAEHM O=c1nc(C2CCN(Cc3ccc(F)cc3)CC2)[nH][n-]1 ZINC000280896016 195019621 /nfs/dbraw/zinc/01/96/21/195019621.db2.gz DNEUUFSTUSNCIZ-UHFFFAOYSA-N -1 3 276.315 1.617 10 0 CDAEHM O=c1nc(C2CCN(Cc3cn4ccccc4n3)CC2)[nH][n-]1 ZINC000289357477 197309877 /nfs/dbraw/zinc/30/98/77/197309877.db2.gz GWRYTYSYJMFVTI-UHFFFAOYSA-N -1 3 298.350 1.125 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)[n-]1 ZINC000158189659 533184331 /nfs/dbraw/zinc/18/43/31/533184331.db2.gz HSSIVNFTNFOTTC-SECBINFHSA-N -1 3 276.296 1.528 10 0 CDAEHM COc1nc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)n[n-]1 ZINC000158189659 533184335 /nfs/dbraw/zinc/18/43/35/533184335.db2.gz HSSIVNFTNFOTTC-SECBINFHSA-N -1 3 276.296 1.528 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](C)Oc2ccc(C)cc2)n1 ZINC000158189659 533184339 /nfs/dbraw/zinc/18/43/39/533184339.db2.gz HSSIVNFTNFOTTC-SECBINFHSA-N -1 3 276.296 1.528 10 0 CDAEHM C[C@@H]1CCC[C@@H](NC(=O)C2CC3(C2)NC(=O)[N-]C3=O)CC1 ZINC000188931352 296434401 /nfs/dbraw/zinc/43/44/01/296434401.db2.gz VURXCEDSQRRBSL-GPZIFOQPSA-N -1 3 293.367 1.060 10 0 CDAEHM CO[C@](C)(C[N-]S(=O)(=O)c1cscn1)C1CC1 ZINC000517232516 390233126 /nfs/dbraw/zinc/23/31/26/390233126.db2.gz ATQGYDFDTVCXPY-SNVBAGLBSA-N -1 3 276.383 1.237 10 0 CDAEHM Oc1[n-]c(SCCC[C@@H]2CCOC2)nc2nncc1-2 ZINC000647157006 390588762 /nfs/dbraw/zinc/58/87/62/390588762.db2.gz AAEDMYBQLSMVGQ-MRVPVSSYSA-N -1 3 280.353 1.967 10 0 CDAEHM C[C@@H](F)CCN=c1cc(NCC[C@H](C)F)n2[n-]cnc2n1 ZINC000338751662 390944038 /nfs/dbraw/zinc/94/40/38/390944038.db2.gz OVEGFNMUJIZLPQ-ZJUUUORDSA-N -1 3 298.341 1.866 10 0 CDAEHM CCO[C@@]1(C(=O)Nc2ccc(C)cc2[O-])CCOC1 ZINC000402362197 390918959 /nfs/dbraw/zinc/91/89/59/390918959.db2.gz DCJJOKJLUVSOAL-AWEZNQCLSA-N -1 3 265.309 1.835 10 0 CDAEHM Cc1ncc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c(C)n1 ZINC000527500041 391023347 /nfs/dbraw/zinc/02/33/47/391023347.db2.gz QYZLSVCLXQUENJ-LBPRGKRZSA-N -1 3 287.323 1.342 10 0 CDAEHM Cc1cccc(C(=O)N2CCCC[C@@H](CO)C2)c1[O-] ZINC000367535504 390990819 /nfs/dbraw/zinc/99/08/19/390990819.db2.gz IQYXCTZZVKZJCX-GFCCVEGCSA-N -1 3 263.337 1.935 10 0 CDAEHM O=C(CC1(O)CCCC1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527208726 391003569 /nfs/dbraw/zinc/00/35/69/391003569.db2.gz GBUPYKBHHCSPHZ-NSHDSACASA-N -1 3 279.340 1.317 10 0 CDAEHM COc1cccc(C(=O)N(C)c2cnn(C)c2)c1[O-] ZINC000173180084 533394530 /nfs/dbraw/zinc/39/45/30/533394530.db2.gz GIJURNIDSRRCHC-UHFFFAOYSA-N -1 3 261.281 1.411 10 0 CDAEHM CC(=O)N1CCN(C(=O)c2cc(C)ccc2[O-])[C@@H](C)C1 ZINC000268715292 391223279 /nfs/dbraw/zinc/22/32/79/391223279.db2.gz BOMOBIIKDWBILQ-NSHDSACASA-N -1 3 276.336 1.393 10 0 CDAEHM O=C(NCc1ncccc1[O-])[C@@H]1CCCOCC1 ZINC000526941375 391230111 /nfs/dbraw/zinc/23/01/11/391230111.db2.gz BQXNCTNLVARERF-SNVBAGLBSA-N -1 3 250.298 1.220 10 0 CDAEHM Cc1ccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cn1 ZINC000526960309 391236572 /nfs/dbraw/zinc/23/65/72/391236572.db2.gz VZCIBIUBOCIHHG-LBPRGKRZSA-N -1 3 272.308 1.639 10 0 CDAEHM C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ncccc1[O-] ZINC000526975176 391238643 /nfs/dbraw/zinc/23/86/43/391238643.db2.gz GPOUZNBFNCXODT-ZWNOBZJWSA-N -1 3 290.367 1.069 10 0 CDAEHM C[C@H]1CN(C(=O)c2ccc([O-])cc2F)[C@@H](C)CN1CCO ZINC000416308391 391269316 /nfs/dbraw/zinc/26/93/16/391269316.db2.gz MDKRYONKDNLVBD-QWRGUYRKSA-N -1 3 296.342 1.058 10 0 CDAEHM CC[C@@H]1C[C@H]1C(=O)Nc1c(C(=O)OC)c[n-]c1C(=O)OC ZINC000410721449 391332990 /nfs/dbraw/zinc/33/29/90/391332990.db2.gz WNBGLRSPZAINSC-HTQZYQBOSA-N -1 3 294.307 1.573 10 0 CDAEHM CCOCCO[C@H](C)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352983682 391319466 /nfs/dbraw/zinc/31/94/66/391319466.db2.gz IYGOJVLVPAMBKQ-PWSUYJOCSA-N -1 3 297.355 1.063 10 0 CDAEHM O=C(NCc1ccncn1)c1ccc2c(c1[O-])CCCC2 ZINC000425303944 391362139 /nfs/dbraw/zinc/36/21/39/391362139.db2.gz GDIYHDYXCKOVDT-UHFFFAOYSA-N -1 3 283.331 1.991 10 0 CDAEHM COc1cc(C(=O)N2C[C@@H](C)[C@H]2C)cc(OC)c1[O-] ZINC000294016925 391662549 /nfs/dbraw/zinc/66/25/49/391662549.db2.gz IYTBWBLRJVODFG-RKDXNWHRSA-N -1 3 265.309 1.890 10 0 CDAEHM Cc1nc(C)c([C@H](C)N(C)CCOCC(=O)[O-])s1 ZINC000519648785 391680934 /nfs/dbraw/zinc/68/09/34/391680934.db2.gz YJRWMPBKGSTGNZ-VIFPVBQESA-N -1 3 272.370 1.854 10 0 CDAEHM Cc1cc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cs1 ZINC000647665143 391831436 /nfs/dbraw/zinc/83/14/36/391831436.db2.gz QBFGHHABLFJCSI-SNVBAGLBSA-N -1 3 291.380 1.575 10 0 CDAEHM CC(C)C(=O)N1CCCN(C(=O)c2cccc([O-])c2)CC1 ZINC000169851430 391833845 /nfs/dbraw/zinc/83/38/45/391833845.db2.gz OOQFBHYPUCEEMU-UHFFFAOYSA-N -1 3 290.363 1.723 10 0 CDAEHM CC(C)C(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000169877476 391834133 /nfs/dbraw/zinc/83/41/33/391834133.db2.gz FPRQBVSSLNFRMJ-UHFFFAOYSA-N -1 3 290.363 1.769 10 0 CDAEHM C[C@@H]1CN(C(=O)c2ccc3n[n-]nc3c2)[C@@H](C)[C@@H](C)O1 ZINC000438412061 391924557 /nfs/dbraw/zinc/92/45/57/391924557.db2.gz PPALZOWJVXWVCP-KXUCPTDWSA-N -1 3 274.324 1.596 10 0 CDAEHM C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N(C)CCCC(=O)[O-] ZINC000430661749 392035220 /nfs/dbraw/zinc/03/52/20/392035220.db2.gz HWHSKCBLHSQKPT-XQQFMLRXSA-N -1 3 284.400 1.676 10 0 CDAEHM C[C@H](C(=O)NC1CCC(C)CC1)N(C)CCCC(=O)[O-] ZINC000430667149 392038270 /nfs/dbraw/zinc/03/82/70/392038270.db2.gz DVAHJMQQFHXQQO-OTTFEQOBSA-N -1 3 284.400 1.866 10 0 CDAEHM CC[C@H]1C[C@H](NC(=O)c2ccc(O)cc2[O-])CCO1 ZINC000421668614 392056551 /nfs/dbraw/zinc/05/65/51/392056551.db2.gz ZLULMSDCYZSDFB-KOLCDFICSA-N -1 3 265.309 1.785 10 0 CDAEHM CCc1[n-][nH]c(=NC(=O)c2nccn3cc(C)nc23)c1C ZINC000432505217 392231951 /nfs/dbraw/zinc/23/19/51/392231951.db2.gz YPOKKSSIHRGMSU-UHFFFAOYSA-N -1 3 284.323 1.306 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CC[C@H](CO)[C@H]2CC)n1 ZINC000448549352 392394608 /nfs/dbraw/zinc/39/46/08/392394608.db2.gz LKCATKUJSGBSNV-ZYHUDNBSSA-N -1 3 265.357 1.337 10 0 CDAEHM C[C@@H](CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)CC(F)F ZINC000648962251 392483500 /nfs/dbraw/zinc/48/35/00/392483500.db2.gz UZOHAZHSNNZTGV-SSDOTTSWSA-N -1 3 296.273 1.591 10 0 CDAEHM CCn1ncc(CNC(=O)c2cc(C)ccc2[O-])n1 ZINC000529592587 392510945 /nfs/dbraw/zinc/51/09/45/392510945.db2.gz SAJIAHLFRQFFRP-UHFFFAOYSA-N -1 3 260.297 1.242 10 0 CDAEHM Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)c([O-])c1 ZINC000252851364 392695576 /nfs/dbraw/zinc/69/55/76/392695576.db2.gz FQMVMCWFQCSJHM-DRZSPHRISA-N -1 3 261.321 1.544 10 0 CDAEHM CSc1cc(F)ccc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000649136322 392838364 /nfs/dbraw/zinc/83/83/64/392838364.db2.gz GMFLGEOESDUKRM-QMMMGPOBSA-N -1 3 297.311 1.084 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1nnn(C(C)C)c1C ZINC000649229358 393121888 /nfs/dbraw/zinc/12/18/88/393121888.db2.gz XYYPIYQTBFGQOS-UHFFFAOYSA-N -1 3 290.371 1.997 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)CCCCOC)C(F)F ZINC000451621416 393366893 /nfs/dbraw/zinc/36/68/93/393366893.db2.gz BIRRLKMLNHUNFO-QMMMGPOBSA-N -1 3 259.318 1.376 10 0 CDAEHM Cc1ccc([O-])c(CNc2cccc(C(N)=O)c2)n1 ZINC000091993536 139688856 /nfs/dbraw/zinc/68/88/56/139688856.db2.gz PKXBBXNWIYHOCK-UHFFFAOYSA-N -1 3 257.293 1.807 10 0 CDAEHM O=C(NCCCOC[C@@H]1CCOC1)c1cccc([O-])c1 ZINC000182491327 140021245 /nfs/dbraw/zinc/02/12/45/140021245.db2.gz OPVMYXADXHSJAP-LBPRGKRZSA-N -1 3 279.336 1.565 10 0 CDAEHM C[C@H]([N-]S(=O)(=O)N1CCC[C@@H]1C)C(=O)OC(C)(C)C ZINC000185080363 140036172 /nfs/dbraw/zinc/03/61/72/140036172.db2.gz JMHZSCKKJCWYFG-UWVGGRQHSA-N -1 3 292.401 1.035 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCO[C@H]2CCCC[C@H]21 ZINC000193590057 140146387 /nfs/dbraw/zinc/14/63/87/140146387.db2.gz HTZCNHRXAOAYMU-OCCSQVGLSA-N -1 3 277.320 1.881 10 0 CDAEHM Cc1ccc([O-])c(CN[C@@H](C)C(=O)NC(C)C)n1 ZINC000228947054 140198555 /nfs/dbraw/zinc/19/85/55/140198555.db2.gz HZYWGBWBKUHKJP-JTQLQIEISA-N -1 3 251.330 1.098 10 0 CDAEHM Cc1ccc(-n2ncc(C(=O)[O-])c2N2CCNCC2)cc1 ZINC000045949730 292037957 /nfs/dbraw/zinc/03/79/57/292037957.db2.gz XDRVDHQGRCSCGJ-UHFFFAOYSA-N -1 3 286.335 1.289 10 0 CDAEHM CC[C@@H](N=c1ncnc2[nH][n-]cc1-2)[C@H]1CCCCO1 ZINC000656227577 413123740 /nfs/dbraw/zinc/12/37/40/413123740.db2.gz MOOHSBZAJHHMRX-GHMZBOCLSA-N -1 3 261.329 1.486 10 0 CDAEHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1C ZINC000121375734 147370618 /nfs/dbraw/zinc/37/06/18/147370618.db2.gz TZJVSFBALYVPAA-JGVFFNPUSA-N -1 3 277.367 1.212 10 0 CDAEHM O=S(=O)([N-][C@@H]1Cc2ccccc2[C@@H]1O)c1cccs1 ZINC000178713861 148080099 /nfs/dbraw/zinc/08/00/99/148080099.db2.gz KRQWQMGXSLNMCC-YPMHNXCESA-N -1 3 295.385 1.685 10 0 CDAEHM C[C@@H](NC(=O)c1cccc([O-])c1)C(=O)NCc1ccco1 ZINC000182246381 148251268 /nfs/dbraw/zinc/25/12/68/148251268.db2.gz IWGFBOOFECSTKI-SNVBAGLBSA-N -1 3 288.303 1.420 10 0 CDAEHM CCC(C)(C)NC(=O)CS(=O)(=O)c1cccc([O-])c1 ZINC000183987505 148324160 /nfs/dbraw/zinc/32/41/60/148324160.db2.gz DCPLKDBUCFBRTN-UHFFFAOYSA-N -1 3 285.365 1.471 10 0 CDAEHM CC(C)(COCC(F)F)C(=O)NCc1ncccc1[O-] ZINC000352510596 155237658 /nfs/dbraw/zinc/23/76/58/155237658.db2.gz ULPDASPKQDSHBB-UHFFFAOYSA-N -1 3 288.294 1.711 10 0 CDAEHM CC(C)NC(=O)CCCC(=O)NCc1ncccc1[O-] ZINC000352514817 155241421 /nfs/dbraw/zinc/24/14/21/155241421.db2.gz CSYILLJOFMBPDU-UHFFFAOYSA-N -1 3 279.340 1.098 10 0 CDAEHM CCC(=O)N1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000335092777 150280036 /nfs/dbraw/zinc/28/00/36/150280036.db2.gz ASSYKKRHICURAP-UHFFFAOYSA-N -1 3 282.727 1.698 10 0 CDAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]CCF)cn21 ZINC000335242664 150449364 /nfs/dbraw/zinc/44/93/64/150449364.db2.gz TZNHCRGUAFLQGH-QMMMGPOBSA-N -1 3 261.322 1.028 10 0 CDAEHM COc1cc(Br)c(OC)c(C=O)c1[O-] ZINC000013379845 286191211 /nfs/dbraw/zinc/19/12/11/286191211.db2.gz NEKOVMKODGNGKY-UHFFFAOYSA-N -1 3 261.071 1.984 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](O)C2)o1 ZINC000335796032 151026535 /nfs/dbraw/zinc/02/65/35/151026535.db2.gz QTQIXBUYOAKNJF-VHSXEESVSA-N -1 3 259.327 1.027 10 0 CDAEHM CC[C@@H]1[C@@H](CO)CCN1C(=O)c1ccc([O-])c(C)c1 ZINC000335899552 151095936 /nfs/dbraw/zinc/09/59/36/151095936.db2.gz JULYLJJJTKRSQI-CHWSQXEVSA-N -1 3 263.337 1.934 10 0 CDAEHM COc1nc(NC(=O)C(=O)c2ccc(Cl)cc2)n[n-]1 ZINC000352635111 155318017 /nfs/dbraw/zinc/31/80/17/155318017.db2.gz ACLTZKAFWDCSKC-UHFFFAOYSA-N -1 3 280.671 1.288 10 0 CDAEHM COc1nnc(NC(=O)C(=O)c2ccc(Cl)cc2)[n-]1 ZINC000352635111 155318020 /nfs/dbraw/zinc/31/80/20/155318020.db2.gz ACLTZKAFWDCSKC-UHFFFAOYSA-N -1 3 280.671 1.288 10 0 CDAEHM COc1n[n-]c(NC(=O)C(=O)c2ccc(Cl)cc2)n1 ZINC000352635111 155318034 /nfs/dbraw/zinc/31/80/34/155318034.db2.gz ACLTZKAFWDCSKC-UHFFFAOYSA-N -1 3 280.671 1.288 10 0 CDAEHM CN(Cc1nc(=O)c2sccc2[n-]1)[C@H]1CCC[C@H]1O ZINC000352669222 155343534 /nfs/dbraw/zinc/34/35/34/155343534.db2.gz YCJLXKQBFAXDIS-VHSXEESVSA-N -1 3 279.365 1.742 10 0 CDAEHM Oc1[n-]c(N2CCC=C(c3ccncc3)C2)nc2nncc1-2 ZINC000343941900 152363658 /nfs/dbraw/zinc/36/36/58/152363658.db2.gz IWTHBADNMVVMAE-UHFFFAOYSA-N -1 3 294.318 1.747 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](CCO)c2ccco2)o1 ZINC000345653900 152905351 /nfs/dbraw/zinc/90/53/51/152905351.db2.gz SGWPPOGQGHYOJG-JTQLQIEISA-N -1 3 285.321 1.583 10 0 CDAEHM CCOC(=O)c1cc(C(=O)[N-]c2ncccc2C)on1 ZINC000346147714 153071185 /nfs/dbraw/zinc/07/11/85/153071185.db2.gz JTMWZAKXBHNTPP-UHFFFAOYSA-N -1 3 275.264 1.807 10 0 CDAEHM C[C@@H](O)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000346304439 153131446 /nfs/dbraw/zinc/13/14/46/153131446.db2.gz DBTZRJOVBYAJAY-RXMQYKEDSA-N -1 3 265.187 1.610 10 0 CDAEHM C[C@H](NC(=O)NCc1ncccc1[O-])C1CCOCC1 ZINC000349664787 154174061 /nfs/dbraw/zinc/17/40/61/154174061.db2.gz HQLYTTCIMYQVOF-JTQLQIEISA-N -1 3 279.340 1.402 10 0 CDAEHM CC(C)[C@@H]1C[C@@H](NC(=O)NCc2ncccc2[O-])CCO1 ZINC000349787163 154217986 /nfs/dbraw/zinc/21/79/86/154217986.db2.gz ITDAKTQYYOUGAT-FZMZJTMJSA-N -1 3 293.367 1.790 10 0 CDAEHM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1cncc(F)c1 ZINC000352327928 155097618 /nfs/dbraw/zinc/09/76/18/155097618.db2.gz FITIQZMMEYRWPN-UHFFFAOYSA-N -1 3 298.261 1.842 10 0 CDAEHM COCc1cnc(NC(=O)NCc2ncccc2[O-])s1 ZINC000352334902 155102678 /nfs/dbraw/zinc/10/26/78/155102678.db2.gz MWYWXDWJVSVOFC-UHFFFAOYSA-N -1 3 294.336 1.712 10 0 CDAEHM O=c1cc(CNC2(CCO)CCCCC2)nc2cc[n-]n21 ZINC000353672916 156004050 /nfs/dbraw/zinc/00/40/50/156004050.db2.gz DAEBYARQVCVFHP-UHFFFAOYSA-N -1 3 290.367 1.198 10 0 CDAEHM CCOC[C@@H]([N-]S(=O)(=O)c1ccc(C)o1)C(C)C ZINC000353841938 156117194 /nfs/dbraw/zinc/11/71/94/156117194.db2.gz LXKUAWOABFHHDO-LLVKDONJSA-N -1 3 275.370 1.927 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1snnc1C1CC1 ZINC000356109201 157357808 /nfs/dbraw/zinc/35/78/08/157357808.db2.gz QJFXDTSJAZQTKZ-UHFFFAOYSA-N -1 3 276.321 1.446 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2ccc(F)cc2)o1 ZINC000358468458 157943614 /nfs/dbraw/zinc/94/36/14/157943614.db2.gz ZIWJCFZSRUVKIH-GFCCVEGCSA-N -1 3 299.323 1.739 10 0 CDAEHM CC=CC[C@H]1NC(=O)N(Cc2ccc([O-])c(F)c2)C1=O ZINC000358744341 158010083 /nfs/dbraw/zinc/01/00/83/158010083.db2.gz OBUKLUVOXQFDRQ-OTDNITJGSA-N -1 3 278.283 1.918 10 0 CDAEHM CO[C@H](C)[C@@H](C)NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000359143935 158140033 /nfs/dbraw/zinc/14/00/33/158140033.db2.gz NIAPKHPKAPOXOR-PHDIDXHHSA-N -1 3 295.265 1.046 10 0 CDAEHM CO[C@H](C)[C@@H](C)NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000359143935 158140034 /nfs/dbraw/zinc/14/00/34/158140034.db2.gz NIAPKHPKAPOXOR-PHDIDXHHSA-N -1 3 295.265 1.046 10 0 CDAEHM CO[C@H](C)[C@@H](C)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000359143935 158140036 /nfs/dbraw/zinc/14/00/36/158140036.db2.gz NIAPKHPKAPOXOR-PHDIDXHHSA-N -1 3 295.265 1.046 10 0 CDAEHM Cc1noc([N-]C(=O)[C@H](C)OC[C@H]2CCCO2)c1C ZINC000359374639 158227800 /nfs/dbraw/zinc/22/78/00/158227800.db2.gz CFEBSIBBUMBLMI-WDEREUQCSA-N -1 3 268.313 1.814 10 0 CDAEHM CCCC[C@@H](C)N(CCCC)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000359441184 158247727 /nfs/dbraw/zinc/24/77/27/158247727.db2.gz QAZAQSUCCVAVKT-NEPJUHHUSA-N -1 3 297.399 1.792 10 0 CDAEHM Cn1cc([C@@H]2C[C@H]2C(=O)[N-]OCc2cccnc2)cn1 ZINC000372762310 160146902 /nfs/dbraw/zinc/14/69/02/160146902.db2.gz OQQBCMNQDYIBBE-QWHCGFSZSA-N -1 3 272.308 1.167 10 0 CDAEHM CCCS(=O)(=O)[N-]Cc1noc(-c2cccc(F)c2)n1 ZINC000374603121 160300076 /nfs/dbraw/zinc/30/00/76/160300076.db2.gz LXSZOIIEYFKIQQ-UHFFFAOYSA-N -1 3 299.327 1.705 10 0 CDAEHM O=C(Cc1ccc(Cl)cc1)Nc1cc(=O)[n-]c(=O)[nH]1 ZINC000005944751 170160428 /nfs/dbraw/zinc/16/04/28/170160428.db2.gz AIDKGZRFYDSPCR-UHFFFAOYSA-N -1 3 279.683 1.310 10 0 CDAEHM CCOC(=O)[C@H]1C([O-])=CC(=O)C[C@@H]1c1ccco1 ZINC000008228234 170326062 /nfs/dbraw/zinc/32/60/62/170326062.db2.gz YNLQURMLYFGCDV-BXKDBHETSA-N -1 3 250.250 1.475 10 0 CDAEHM CCOC(=O)[C@H]1C(=O)C=C([O-])C[C@@H]1c1ccco1 ZINC000008228234 170326063 /nfs/dbraw/zinc/32/60/63/170326063.db2.gz YNLQURMLYFGCDV-BXKDBHETSA-N -1 3 250.250 1.475 10 0 CDAEHM CC[C@@H](C)[N-]S(=O)(=O)c1cc(N)c(F)cc1F ZINC000021501976 171305820 /nfs/dbraw/zinc/30/58/20/171305820.db2.gz VNVKGMFZDPYKCX-ZCFIWIBFSA-N -1 3 264.297 1.624 10 0 CDAEHM NCc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000022162742 171364736 /nfs/dbraw/zinc/36/47/36/171364736.db2.gz WBWQLXDEIIRVRN-UHFFFAOYSA-N -1 3 262.334 1.946 10 0 CDAEHM N[C@H](CSCC(=O)Nc1ccc(F)c(F)c1)C(=O)[O-] ZINC000035082774 171968060 /nfs/dbraw/zinc/96/80/60/171968060.db2.gz AOGQQJIFXKNLJJ-SECBINFHSA-N -1 3 290.291 1.048 10 0 CDAEHM CCc1ccc(NC(=O)CNCCCC(=O)[O-])cc1 ZINC000035415616 172190524 /nfs/dbraw/zinc/19/05/24/172190524.db2.gz LQIRCGYNGBKFFX-UHFFFAOYSA-N -1 3 264.325 1.642 10 0 CDAEHM CCC[C@](C)(N)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656855836 413758688 /nfs/dbraw/zinc/75/86/88/413758688.db2.gz TUZKZPXAKFCUIM-ZVXAKGHKSA-N -1 3 284.400 1.756 10 0 CDAEHM COC1CC(CC[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000657036299 413858593 /nfs/dbraw/zinc/85/85/93/413858593.db2.gz DIQBKODHEGLODJ-UHFFFAOYSA-N -1 3 287.356 1.919 10 0 CDAEHM Cc1cc([N-]C(=O)[C@H](C)N2CCO[C@](C)(C3CC3)C2)on1 ZINC000661171731 413861099 /nfs/dbraw/zinc/86/10/99/413861099.db2.gz XMCGYZFGPDSVCI-NHYWBVRUSA-N -1 3 293.367 1.811 10 0 CDAEHM CCCn1c(=O)[n-]nc1SC[C@@H](COC)OC ZINC000657232390 414055393 /nfs/dbraw/zinc/05/53/93/414055393.db2.gz YIDNNJDAWSLYRJ-MRVPVSSYSA-N -1 3 261.347 1.147 10 0 CDAEHM CN[C@@H](C(=O)[O-])c1cc(OC)c(OC)cc1OC ZINC000037181061 173013496 /nfs/dbraw/zinc/01/34/96/173013496.db2.gz DGMYFBQQXAPOTP-LLVKDONJSA-N -1 3 255.270 1.058 10 0 CDAEHM O=C1[N-]C(=O)c2cc(Nc3ccc(Cl)nn3)ccc21 ZINC000037330048 173131110 /nfs/dbraw/zinc/13/11/10/173131110.db2.gz HYKDCWZHJWMNGZ-UHFFFAOYSA-N -1 3 274.667 1.757 10 0 CDAEHM CN(C)[C@H](C(=O)[O-])c1cc2c(c(Cl)c1)OCO2 ZINC000037358179 173147588 /nfs/dbraw/zinc/14/75/88/173147588.db2.gz XDNNXDXVWMKLKY-VIFPVBQESA-N -1 3 257.673 1.756 10 0 CDAEHM O=C([O-])c1cccc(OCCN2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000659799329 414128510 /nfs/dbraw/zinc/12/85/10/414128510.db2.gz ASCZZEKTJYLQPV-SWLSCSKDSA-N -1 3 277.320 1.220 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-]C[C@@H]2C(C)(C)C2(F)F)cn1C ZINC000660021314 414367266 /nfs/dbraw/zinc/36/72/66/414367266.db2.gz LEAWDYXOODUSCV-MRVPVSSYSA-N -1 3 293.339 1.298 10 0 CDAEHM Cc1nc(Cl)sc1S(=O)(=O)[N-]C[C@@H](C)N(C)C ZINC000038110718 174122914 /nfs/dbraw/zinc/12/29/14/174122914.db2.gz OMUSELNJFBYOFJ-ZCFIWIBFSA-N -1 3 297.833 1.333 10 0 CDAEHM O=C(C=C1SC(=O)[N-]C1=O)Nc1ccccc1F ZINC000039794525 174173839 /nfs/dbraw/zinc/17/38/39/174173839.db2.gz HOBHJJASAMYNEI-YVMONPNESA-N -1 3 266.253 1.631 10 0 CDAEHM Nc1n[nH]cc1S(=O)(=O)[N-]Cc1cccc(Cl)c1 ZINC000040328185 174237631 /nfs/dbraw/zinc/23/76/31/174237631.db2.gz RQEVDCFVLWEGAK-UHFFFAOYSA-N -1 3 286.744 1.124 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000040469716 174278299 /nfs/dbraw/zinc/27/82/99/174278299.db2.gz FXECOXXRGVAARQ-GDLCADMTSA-N -1 3 290.363 1.398 10 0 CDAEHM O=C([O-])[C@@H](NC(=O)[C@@H]1CCCCN1)c1ccccc1 ZINC000040470686 174278584 /nfs/dbraw/zinc/27/85/84/174278584.db2.gz XEZNRSKUVRXBKL-RYUDHWBXSA-N -1 3 262.309 1.071 10 0 CDAEHM CC[C@H](C)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)[O-] ZINC000040472545 174280632 /nfs/dbraw/zinc/28/06/32/174280632.db2.gz JWBLQDDHSDGEGR-WCFLWFBJSA-N -1 3 278.352 1.172 10 0 endogenous,in-vitro CDAEHM CC[C@@H](N)C(=O)Nc1ccc(NC(C)=O)cc1C(=O)[O-] ZINC000040479127 174283867 /nfs/dbraw/zinc/28/38/67/174283867.db2.gz QJWVHIRCFGJWDY-SNVBAGLBSA-N -1 3 279.296 1.019 10 0 CDAEHM NC1(C(=O)Nc2ccc(F)cc2C(=O)[O-])CCCC1 ZINC000040480007 174284265 /nfs/dbraw/zinc/28/42/65/174284265.db2.gz CVMAUGJYKYDMPC-UHFFFAOYSA-N -1 3 266.272 1.734 10 0 CDAEHM CC[C@H](C)[C@@H](N)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000040481786 174285964 /nfs/dbraw/zinc/28/59/64/174285964.db2.gz HGOLXEBOSFWLMW-WDEREUQCSA-N -1 3 270.373 1.654 10 0 CDAEHM CCCC[C@@H](N)C(=O)N(CCC(=O)[O-])C(C)(C)C ZINC000040484523 174287977 /nfs/dbraw/zinc/28/79/77/174287977.db2.gz MXYRVHLQRKRRMA-SNVBAGLBSA-N -1 3 258.362 1.606 10 0 CDAEHM CC[C@@H](N)C(=O)N(CC(=O)[O-])c1cccc(Cl)c1 ZINC000040484620 174288245 /nfs/dbraw/zinc/28/82/45/174288245.db2.gz FPVRBWHLWCBRFL-SNVBAGLBSA-N -1 3 270.716 1.495 10 0 CDAEHM CCCC[C@@H](N)C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000040485778 174288444 /nfs/dbraw/zinc/28/84/44/174288444.db2.gz FBROYCYEEPVKRO-LLVKDONJSA-N -1 3 256.346 1.360 10 0 CDAEHM CCN1CCC[C@H]1CNC(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000040552844 174329532 /nfs/dbraw/zinc/32/95/32/174329532.db2.gz BYGDCJQCLFFQFA-QWRGUYRKSA-N -1 3 285.388 1.269 10 0 CDAEHM CO[C@H]1CN[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2C)C1 ZINC000040632591 174359069 /nfs/dbraw/zinc/35/90/69/174359069.db2.gz HAEYSIIBELAKQV-BXKDBHETSA-N -1 3 278.308 1.009 10 0 CDAEHM CO[C@H]1CN[C@@H](C(=O)Nc2ccc(C)cc2C(=O)[O-])C1 ZINC000040637037 174361924 /nfs/dbraw/zinc/36/19/24/174361924.db2.gz BROPBKUTYNTYDU-BXKDBHETSA-N -1 3 278.308 1.009 10 0 CDAEHM CCC(CC)(CC(=O)N[C@@H]1CCCN(C)C1)C(=O)[O-] ZINC000040673245 174372049 /nfs/dbraw/zinc/37/20/49/174372049.db2.gz UKKOVHLEYGWPCP-LLVKDONJSA-N -1 3 270.373 1.478 10 0 CDAEHM CN1CCC[C@H](n2ccnc2SCC(=O)[O-])C1 ZINC000040715886 174383841 /nfs/dbraw/zinc/38/38/41/174383841.db2.gz UIFMFTSPSIFSKU-VIFPVBQESA-N -1 3 255.343 1.327 10 0 CDAEHM CC(C)C[C@@H](N)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000043413688 175037538 /nfs/dbraw/zinc/03/75/38/175037538.db2.gz QHWCSSAWRCZZPF-GFCCVEGCSA-N -1 3 284.400 1.901 10 0 CDAEHM Cc1nc(C)c([C@@H](C)[NH2+][C@H](C(=O)[O-])C(C)C)c(=O)[n-]1 ZINC000043431344 175043497 /nfs/dbraw/zinc/04/34/97/175043497.db2.gz WGWOYVLEVOWETD-KCJUWKMLSA-N -1 3 267.329 1.147 10 0 CDAEHM COc1ccc(CNC2CC2)cc1O[C@H](C)C(=O)[O-] ZINC000043624520 175081545 /nfs/dbraw/zinc/08/15/45/175081545.db2.gz BBQWEVLURLAZTD-SECBINFHSA-N -1 3 265.309 1.799 10 0 CDAEHM O=C([O-])[C@H]1CN(CC23CC4CC(CC(C4)C2)C3)CCO1 ZINC000043703809 175098858 /nfs/dbraw/zinc/09/88/58/175098858.db2.gz OAPZMGDSHKOXQG-MHCOZEDOSA-N -1 3 279.380 1.988 10 0 CDAEHM CCCC[C@@H](N)C(=O)N1CCc2sccc2[C@H]1C(=O)[O-] ZINC000044592654 175213419 /nfs/dbraw/zinc/21/34/19/175213419.db2.gz ONFUFDDDRBIIIR-PWSUYJOCSA-N -1 3 296.392 1.776 10 0 CDAEHM COCCCC[N-]S(=O)(=O)c1cc(N)cs1 ZINC000044656073 175225350 /nfs/dbraw/zinc/22/53/50/175225350.db2.gz LUYDWSQAOLIEBQ-UHFFFAOYSA-N -1 3 264.372 1.035 10 0 CDAEHM Brc1ccc2c(c1)CC[C@H]2NCc1nn[n-]n1 ZINC000044929137 175279061 /nfs/dbraw/zinc/27/90/61/175279061.db2.gz UNNZDMRSOZNPPD-SNVBAGLBSA-N -1 3 294.156 1.739 10 0 CDAEHM C[C@@H](Cn1cc(C(=O)[O-])ccc1=O)N1CCCCC1 ZINC000045007930 175288708 /nfs/dbraw/zinc/28/87/08/175288708.db2.gz RVDQEERIOAUSBE-NSHDSACASA-N -1 3 264.325 1.421 10 0 CDAEHM C[C@H](CNC(=O)c1ncccc1[O-])N1CCCCC1 ZINC000045010679 175289274 /nfs/dbraw/zinc/28/92/74/175289274.db2.gz MEEZEQUTQBBBCG-LLVKDONJSA-N -1 3 263.341 1.391 10 0 CDAEHM C[C@H](CNc1ccc(C(=O)[O-])nn1)N1CCCCC1 ZINC000045011028 175289867 /nfs/dbraw/zinc/28/98/67/175289867.db2.gz YDQUYIWQUCLQBK-SNVBAGLBSA-N -1 3 264.329 1.461 10 0 CDAEHM Cc1cc(C)c(C(=O)[O-])c(NCCc2nccn2C)n1 ZINC000045137539 175314495 /nfs/dbraw/zinc/31/44/95/175314495.db2.gz RGUZNVQMKJCSOL-UHFFFAOYSA-N -1 3 274.324 1.785 10 0 CDAEHM CCN(C(=O)c1cc(OC)ccc1[O-])[C@@H](C)COC ZINC000055468493 175579720 /nfs/dbraw/zinc/57/97/20/175579720.db2.gz ZKONWXMKSOLRGD-JTQLQIEISA-N -1 3 267.325 1.898 10 0 CDAEHM NC(=S)CCCC[N-]S(=O)(=O)c1cccs1 ZINC000070671047 176000623 /nfs/dbraw/zinc/00/06/23/176000623.db2.gz WKFZWTIQCUQPEC-UHFFFAOYSA-N -1 3 278.424 1.483 10 0 CDAEHM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(N)cs1 ZINC000070827296 176007836 /nfs/dbraw/zinc/00/78/36/176007836.db2.gz FZHLRHLBTLOSHC-APPZFPTMSA-N -1 3 260.384 1.797 10 0 CDAEHM CNCc1cccc(NC(=O)/C(C)=C(/C)C(=O)[O-])c1 ZINC000071165648 176048138 /nfs/dbraw/zinc/04/81/38/176048138.db2.gz VOZGKKBUPHBOHE-KTKRTIGZSA-N -1 3 262.309 1.766 10 0 CDAEHM CCN1CCC[C@H](Nc2cnc(C(=O)[O-])cn2)C1 ZINC000071181689 176057242 /nfs/dbraw/zinc/05/72/42/176057242.db2.gz DLRHQKDZOUZYLB-VIFPVBQESA-N -1 3 250.302 1.071 10 0 CDAEHM Cc1cc(C[N-]S(=O)(=O)c2cc(N)cc(F)c2)on1 ZINC000071402992 176154950 /nfs/dbraw/zinc/15/49/50/176154950.db2.gz BXRVQPHAUVLULL-UHFFFAOYSA-N -1 3 285.300 1.183 10 0 CDAEHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2cccs2)o1 ZINC000074802185 176616607 /nfs/dbraw/zinc/61/66/07/176616607.db2.gz AEKLJSYOSBBQHD-UHFFFAOYSA-N -1 3 286.378 1.874 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC[C@H](O)C(C)(C)C ZINC000077109671 177225161 /nfs/dbraw/zinc/22/51/61/177225161.db2.gz YMRTUVBTPPLBCD-JTQLQIEISA-N -1 3 290.385 1.367 10 0 CDAEHM CCOC[C@H](C)[N-]S(=O)(=O)c1cccc(C)c1F ZINC000313235096 260267145 /nfs/dbraw/zinc/26/71/45/260267145.db2.gz HKEULHFCBJGXAT-JTQLQIEISA-N -1 3 275.345 1.837 10 0 CDAEHM CO[C@@](C)(CO)CNC(=O)c1cc([O-])ccc1Cl ZINC000655218546 423888051 /nfs/dbraw/zinc/88/80/51/423888051.db2.gz FIRDAHZVISYTHP-GFCCVEGCSA-N -1 3 273.716 1.173 10 0 CDAEHM CO[C@@](C)(CO)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000655214852 423847112 /nfs/dbraw/zinc/84/71/12/423847112.db2.gz HEHMZAVJTBUGMQ-MRXNPFEDSA-N -1 3 293.363 1.398 10 0 CDAEHM Cn1cnc(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000655625879 424207423 /nfs/dbraw/zinc/20/74/23/424207423.db2.gz NUHIRQBRYJESPS-DGCLKSJQSA-N -1 3 299.396 1.046 10 0 CDAEHM O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1c[n-]nn1 ZINC000655337486 424457991 /nfs/dbraw/zinc/45/79/91/424457991.db2.gz SSQMYGGQTRNIRF-SVRRBLITSA-N -1 3 278.234 1.035 10 0 CDAEHM O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1cnn[n-]1 ZINC000655337486 424457996 /nfs/dbraw/zinc/45/79/96/424457996.db2.gz SSQMYGGQTRNIRF-SVRRBLITSA-N -1 3 278.234 1.035 10 0 CDAEHM O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1cn[n-]n1 ZINC000655337486 424458003 /nfs/dbraw/zinc/45/80/03/424458003.db2.gz SSQMYGGQTRNIRF-SVRRBLITSA-N -1 3 278.234 1.035 10 0 CDAEHM C[C@@H](C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1)C(C)(F)F ZINC000651976521 424552285 /nfs/dbraw/zinc/55/22/85/424552285.db2.gz QCNQYAFKZNTPGB-YUMQZZPRSA-N -1 3 287.314 1.182 10 0 CDAEHM C[C@@H]1CCC[C@@H](CNC(=O)NCc2ncccc2[O-])O1 ZINC000661817136 424604286 /nfs/dbraw/zinc/60/42/86/424604286.db2.gz JPBVAMMINIWREJ-MNOVXSKESA-N -1 3 279.340 1.544 10 0 CDAEHM Cc1ccc([O-])c([C@@H]2NC(=N)Nc3nc4ccccc4n32)n1 ZINC000103501652 270235188 /nfs/dbraw/zinc/23/51/88/270235188.db2.gz WTBPULJNWXPNQH-CYBMUJFWSA-N -1 3 294.318 1.542 10 0 CDAEHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2ccco2)O1 ZINC000188866249 270273652 /nfs/dbraw/zinc/27/36/52/270273652.db2.gz VVMFBIIUTODKNK-VIFPVBQESA-N -1 3 259.327 1.516 10 0 CDAEHM COc1ccc(C(=O)N2C[C@H](O)CC[C@H]2C)c([O-])c1 ZINC000399241256 270372003 /nfs/dbraw/zinc/37/20/03/270372003.db2.gz IUQWQROKPJMRFX-NXEZZACHSA-N -1 3 265.309 1.386 10 0 CDAEHM Cc1cc(C(=O)N[C@]23C[C@H]2COC3(C)C)ccc1[O-] ZINC000529788770 271041781 /nfs/dbraw/zinc/04/17/81/271041781.db2.gz AUCCRWLSPLIXAB-XHDPSFHLSA-N -1 3 261.321 1.998 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cc(F)cc3[n-]nnc32)CCS1 ZINC000277599695 288017956 /nfs/dbraw/zinc/01/79/56/288017956.db2.gz GUULOGMEPMZBAF-SSDOTTSWSA-N -1 3 280.328 1.675 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cc(F)cc3nn[n-]c32)CCS1 ZINC000277599695 288017960 /nfs/dbraw/zinc/01/79/60/288017960.db2.gz GUULOGMEPMZBAF-SSDOTTSWSA-N -1 3 280.328 1.675 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cc(F)cc3n[n-]nc32)CCS1 ZINC000277599695 288017962 /nfs/dbraw/zinc/01/79/62/288017962.db2.gz GUULOGMEPMZBAF-SSDOTTSWSA-N -1 3 280.328 1.675 10 0 CDAEHM CC(C)[C@H]1OCC[C@H]1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000408272757 280493438 /nfs/dbraw/zinc/49/34/38/280493438.db2.gz ITMPJLJPLGURHJ-ZWNOBZJWSA-N -1 3 291.351 1.128 10 0 CDAEHM O=S(=O)([N-]CC1=CCOCC1)c1cccs1 ZINC000514777068 280845777 /nfs/dbraw/zinc/84/57/77/280845777.db2.gz XZHLDJSLJNFSRH-UHFFFAOYSA-N -1 3 259.352 1.373 10 0 CDAEHM Cc1ccc(CC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cn1 ZINC000527499660 281145792 /nfs/dbraw/zinc/14/57/92/281145792.db2.gz QSPZTJZTXHSNTG-ZDUSSCGKSA-N -1 3 286.335 1.568 10 0 CDAEHM [O-]c1cccc(CNCC2COC2)c1Br ZINC000527818588 281194701 /nfs/dbraw/zinc/19/47/01/281194701.db2.gz KZMGYVVXHWIPEY-UHFFFAOYSA-N -1 3 272.142 1.891 10 0 CDAEHM CC1CCC(c2noc(C[C@@H]3NC(=O)[N-]C3=O)n2)CC1 ZINC000546353991 289725633 /nfs/dbraw/zinc/72/56/33/289725633.db2.gz ZZLCVEURHVJMIP-HACHORDNSA-N -1 3 278.312 1.114 10 0 CDAEHM CCc1ncc(C(=O)N=c2cc(OC)n(C)[n-]2)s1 ZINC000547817702 289812376 /nfs/dbraw/zinc/81/23/76/289812376.db2.gz SHDYJMUGIDXWRI-UHFFFAOYSA-N -1 3 266.326 1.122 10 0 CDAEHM COc1cc(=NC(=O)NCc2cccs2)[n-]n1C ZINC000547839705 289815344 /nfs/dbraw/zinc/81/53/44/289815344.db2.gz IAABFQZCDXAVFR-UHFFFAOYSA-N -1 3 266.326 1.234 10 0 CDAEHM COc1cc(=NC(=O)N[C@H](C)Cc2cccs2)[n-]n1C ZINC000548495972 289895809 /nfs/dbraw/zinc/89/58/09/289895809.db2.gz MTRCOYYLBOAVKJ-SECBINFHSA-N -1 3 294.380 1.665 10 0 CDAEHM O=C(NC[C@@H]1C[C@H]1C1CC1)c1cccc2nn[n-]c21 ZINC000556690310 290281747 /nfs/dbraw/zinc/28/17/47/290281747.db2.gz RULCIIMYGVGSIZ-ONGXEEELSA-N -1 3 256.309 1.734 10 0 CDAEHM O=C(NC[C@@H]1C[C@H]1C1CC1)c1cccc2[n-]nnc21 ZINC000556690310 290281748 /nfs/dbraw/zinc/28/17/48/290281748.db2.gz RULCIIMYGVGSIZ-ONGXEEELSA-N -1 3 256.309 1.734 10 0 CDAEHM O=C(NC[C@@H]1C[C@H]1C1CC1)c1cccc2n[n-]nc21 ZINC000556690310 290281750 /nfs/dbraw/zinc/28/17/50/290281750.db2.gz RULCIIMYGVGSIZ-ONGXEEELSA-N -1 3 256.309 1.734 10 0 CDAEHM COc1cc(=NC(=O)N2CCC[C@H]2[C@@H]2CCCO2)[n-]n1C ZINC000556725594 290288610 /nfs/dbraw/zinc/28/86/10/290288610.db2.gz IOHMXDFPOKQVJZ-QWRGUYRKSA-N -1 3 294.355 1.026 10 0 CDAEHM Cc1cc([N-]S(=O)(=O)N2CCC2)nn1[C@H](C)C1CC1 ZINC000560449487 290489517 /nfs/dbraw/zinc/48/95/17/290489517.db2.gz YKDWPTNBBASSCK-SNVBAGLBSA-N -1 3 284.385 1.525 10 0 CDAEHM COc1ccc(O)cc1C(=O)N=c1cc2ccccn2[n-]1 ZINC000561154364 293056073 /nfs/dbraw/zinc/05/60/73/293056073.db2.gz SIONQJXFEQPKPA-UHFFFAOYSA-N -1 3 283.287 1.723 10 0 CDAEHM C[C@@H]1CCCN(S(=O)(=O)[N-]c2cc(C3CC3)n(C)n2)C1 ZINC000564555733 293370840 /nfs/dbraw/zinc/37/08/40/293370840.db2.gz MNBNKFFSKWGSJL-SNVBAGLBSA-N -1 3 298.412 1.686 10 0 CDAEHM COC(=O)c1cc(C)nc([N-]c2cn(C)nc2OC)n1 ZINC000564598086 293378317 /nfs/dbraw/zinc/37/83/17/293378317.db2.gz QNDNUJLCUSKFAB-UHFFFAOYSA-N -1 3 277.284 1.057 10 0 CDAEHM C[C@H](CN1CCC(C)CC1)NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000568286961 294010308 /nfs/dbraw/zinc/01/03/08/294010308.db2.gz LYSKHVFIMJSJBJ-OLZOCXBDSA-N -1 3 297.399 1.223 10 0 CDAEHM COc1cc(=NC(=O)NCCOCC2CCCC2)[n-]n1C ZINC000569201024 294172895 /nfs/dbraw/zinc/17/28/95/294172895.db2.gz IMEOGBXJQJRJBS-UHFFFAOYSA-N -1 3 296.371 1.179 10 0 CDAEHM COc1cccc(C(=O)N2CCCC3(C2)OCCO3)c1[O-] ZINC000133782463 295283668 /nfs/dbraw/zinc/28/36/68/295283668.db2.gz PEVUMRTYMJMTOM-UHFFFAOYSA-N -1 3 293.319 1.380 10 0 CDAEHM COC(=O)c1ccc(-c2nc(-c3cccnc3)no2)[n-]1 ZINC000350530603 316171947 /nfs/dbraw/zinc/17/19/47/316171947.db2.gz HZBFFCFHNQTFSP-UHFFFAOYSA-N -1 3 270.248 1.913 10 0 CDAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3[C@@H]4CCC[C@@H]43)cn21 ZINC000570146132 316918990 /nfs/dbraw/zinc/91/89/90/316918990.db2.gz FECDJXSZYNUUSX-NJBDSQKTSA-N -1 3 295.408 1.857 10 0 CDAEHM C[C@@]12CN(Cc3cc(=O)n4[n-]ccc4n3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000576467173 317144446 /nfs/dbraw/zinc/14/44/46/317144446.db2.gz FLDSFTJGULTGNB-GNNTXSLPSA-N -1 3 296.374 1.667 10 0 CDAEHM CCCCS(=O)(=O)[N-][C@@H](c1ccccc1F)[C@@H](C)O ZINC000576589199 317168815 /nfs/dbraw/zinc/16/88/15/317168815.db2.gz NGGNIFRRDJBJOZ-ZWNOBZJWSA-N -1 3 289.372 1.967 10 0 CDAEHM Cc1cccc(S(=O)(=O)[N-]CCCn2ccnn2)c1F ZINC000183160797 323323058 /nfs/dbraw/zinc/32/30/58/323323058.db2.gz KTUMKSQAUITRDX-UHFFFAOYSA-N -1 3 298.343 1.094 10 0 CDAEHM CC(C)C[C@@H](C)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000185534104 323391624 /nfs/dbraw/zinc/39/16/24/323391624.db2.gz HROFAXKMRJSQQW-SNVBAGLBSA-N -1 3 263.341 1.337 10 0 CDAEHM CCC(O)(CC)CC[N-]S(=O)(=O)c1cscn1 ZINC000578886238 324049808 /nfs/dbraw/zinc/04/98/08/324049808.db2.gz QZWICSPBLXWABC-UHFFFAOYSA-N -1 3 278.399 1.363 10 0 CDAEHM CCc1nocc1CN1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000578891535 324051555 /nfs/dbraw/zinc/05/15/55/324051555.db2.gz CZKCHAXFWAXMBX-ONGXEEELSA-N -1 3 252.314 1.780 10 0 CDAEHM COc1cc(=NC(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)[n-]n1C ZINC000579920100 324313781 /nfs/dbraw/zinc/31/37/81/324313781.db2.gz WBXHZTPXSUMLHB-RISCZKNCSA-N -1 3 294.399 1.995 10 0 CDAEHM CC[C@@H](C)C[C@@H](N=c1ncnc2[nH][n-]cc1-2)C(=O)OC ZINC000581485651 324758565 /nfs/dbraw/zinc/75/85/65/324758565.db2.gz GIUCGOZPJQHZTP-PSASIEDQSA-N -1 3 277.328 1.116 10 0 CDAEHM COc1cc(=NC(=O)N(C)[C@H](C)c2ccccn2)[n-]n1C ZINC000582700765 325025185 /nfs/dbraw/zinc/02/51/85/325025185.db2.gz TVANNTYNPNJFOY-SNVBAGLBSA-N -1 3 289.339 1.471 10 0 CDAEHM COc1cc(=NC(=O)N2CC(C)=C[C@@H](C)C2)[n-]n1C ZINC000583601809 325206045 /nfs/dbraw/zinc/20/60/45/325206045.db2.gz AZVTXLRCDRPOKR-SECBINFHSA-N -1 3 264.329 1.281 10 0 CDAEHM O=C(c1cccc2[n-]nnc21)N1CC(C2CCOCC2)C1 ZINC000669733134 482472321 /nfs/dbraw/zinc/47/23/21/482472321.db2.gz BTRRNAMPYZXKEU-UHFFFAOYSA-N -1 3 286.335 1.457 10 0 CDAEHM O=C(c1cccc2nn[n-]c21)N1CC(C2CCOCC2)C1 ZINC000669733134 482472322 /nfs/dbraw/zinc/47/23/22/482472322.db2.gz BTRRNAMPYZXKEU-UHFFFAOYSA-N -1 3 286.335 1.457 10 0 CDAEHM O=C(c1cccc2n[n-]nc21)N1CC(C2CCOCC2)C1 ZINC000669733134 482472323 /nfs/dbraw/zinc/47/23/23/482472323.db2.gz BTRRNAMPYZXKEU-UHFFFAOYSA-N -1 3 286.335 1.457 10 0 CDAEHM COc1ccc(C(=O)N2CC3(CC(F)C3)C2)c([O-])c1 ZINC000677125082 482540519 /nfs/dbraw/zinc/54/05/19/482540519.db2.gz HLMFKNXYPQBOCM-UHFFFAOYSA-N -1 3 265.284 1.975 10 0 CDAEHM Cc1cccc([C@@H](C)N[C@@H]2CCN(CC(=O)[O-])C2=O)c1C ZINC000662211493 482613858 /nfs/dbraw/zinc/61/38/58/482613858.db2.gz PLNAZGHZLHWBIK-TZMCWYRMSA-N -1 3 290.363 1.640 10 0 CDAEHM CN(C(=O)c1ccc([O-])c(F)c1)[C@@H]1CCN(C2CC2)C1 ZINC000681047037 482669261 /nfs/dbraw/zinc/66/92/61/482669261.db2.gz SUWJJXJBUJLYJF-GFCCVEGCSA-N -1 3 278.327 1.840 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N[C@@](C)(CO)COC)c1 ZINC000681074291 482686839 /nfs/dbraw/zinc/68/68/39/482686839.db2.gz IFMNPKPITIMQNS-AWEZNQCLSA-N -1 3 267.325 1.082 10 0 CDAEHM COc1ccc(NC(=O)[C@@H](O)C2CCOCC2)c([O-])c1 ZINC000525949621 482762496 /nfs/dbraw/zinc/76/24/96/482762496.db2.gz ROQQGTCZIGMPQP-ZDUSSCGKSA-N -1 3 281.308 1.127 10 0 CDAEHM CCc1ccc(C(=O)N2C[C@H](O)CC(F)(F)C2)c([O-])c1 ZINC000682589273 482818647 /nfs/dbraw/zinc/81/86/47/482818647.db2.gz YQYMMZOUNMGZJF-SNVBAGLBSA-N -1 3 285.290 1.797 10 0 CDAEHM CCN1CCC[C@H]1CN(C)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000166788673 482845797 /nfs/dbraw/zinc/84/57/97/482845797.db2.gz 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/nfs/dbraw/zinc/49/59/35/483495935.db2.gz MUXKDCKYTKBTNZ-UHFFFAOYSA-N -1 3 289.339 1.565 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)C2(C)CCOCC2)[n-]n1 ZINC000676454880 483495936 /nfs/dbraw/zinc/49/59/36/483495936.db2.gz MUXKDCKYTKBTNZ-UHFFFAOYSA-N -1 3 289.339 1.565 10 0 CDAEHM CC(C)C[C@H](CN(C)C)NC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000049560966 519334466 /nfs/dbraw/zinc/33/44/66/519334466.db2.gz HCJZGNPXSATGDK-OLZOCXBDSA-N -1 3 299.415 1.611 10 0 CDAEHM Cc1ccc([O-])c(CN2C[C@H](C)OC3(CCOCC3)C2)n1 ZINC000280585884 534196234 /nfs/dbraw/zinc/19/62/34/534196234.db2.gz XADHMSJXGODMII-ZDUSSCGKSA-N -1 3 292.379 1.866 10 0 CDAEHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000111600015 519694768 /nfs/dbraw/zinc/69/47/68/519694768.db2.gz WCDXDZCQBHCWPO-NEPJUHHUSA-N -1 3 295.383 1.259 10 0 CDAEHM CC(C)CNC(=O)[C@H](C)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925402 519740718 /nfs/dbraw/zinc/74/07/18/519740718.db2.gz FULUTTVWNJGJMX-QWHCGFSZSA-N -1 3 284.400 1.866 10 0 CDAEHM CC(C)[C@@H](CN(C)C)n1cnnc1SCC(=O)[O-] 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/nfs/dbraw/zinc/88/30/51/350883051.db2.gz IBRUDVWPYPJUQN-QMMMGPOBSA-N -1 3 290.241 1.770 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C(C)(C)n1cccn1 ZINC000622122114 351018544 /nfs/dbraw/zinc/01/85/44/351018544.db2.gz YUZUGHJMCMFQHG-UHFFFAOYSA-N -1 3 275.356 1.834 10 0 CDAEHM C[C@H]1CCC[C@H](CNC(=O)c2c([O-])cccc2O)O1 ZINC000622171204 351051129 /nfs/dbraw/zinc/05/11/29/351051129.db2.gz CFCYZOKSFJVMBQ-VHSXEESVSA-N -1 3 265.309 1.785 10 0 CDAEHM Cc1nc(CS(=O)(=O)c2nc(C)c(C)[n-]2)co1 ZINC000565162531 293537563 /nfs/dbraw/zinc/53/75/63/293537563.db2.gz IQBKWNDUGIIASP-UHFFFAOYSA-N -1 3 255.299 1.297 10 0 CDAEHM COC(=O)Cc1n[n-]c(NC(=O)CC2(C)CCCC2)n1 ZINC000291888828 198097398 /nfs/dbraw/zinc/09/73/98/198097398.db2.gz IWSJGZORDGMZRR-UHFFFAOYSA-N -1 3 280.328 1.429 10 0 CDAEHM COC(=O)Cc1nnc(NC(=O)CC2(C)CCCC2)[n-]1 ZINC000291888828 198097400 /nfs/dbraw/zinc/09/74/00/198097400.db2.gz IWSJGZORDGMZRR-UHFFFAOYSA-N -1 3 280.328 1.429 10 0 CDAEHM COC(=O)Cc1nc(NC(=O)CC2(C)CCCC2)n[n-]1 ZINC000291888828 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CO[C@H](CS(=O)(=O)[N-]Cc1cscn1)C(C)C ZINC000645504711 363417596 /nfs/dbraw/zinc/41/75/96/363417596.db2.gz IXLFEEPCNZWXNZ-SNVBAGLBSA-N -1 3 278.399 1.234 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)N(C3CC3)C2)o1 ZINC000336360605 363442122 /nfs/dbraw/zinc/44/21/22/363442122.db2.gz MUVGBZDVYRCWCC-MWLCHTKSSA-N -1 3 284.381 1.492 10 0 CDAEHM COc1ccc2cnn([C@H]3CCSC3)c([O-])c-2c1=O ZINC000634628347 356596586 /nfs/dbraw/zinc/59/65/86/356596586.db2.gz VUBDFFAWJCAQDO-VIFPVBQESA-N -1 3 278.333 1.789 10 0 CDAEHM COc1ccc2cnn([C@H]3CCSC3)c(=O)c2c1[O-] ZINC000634628347 356596590 /nfs/dbraw/zinc/59/65/90/356596590.db2.gz VUBDFFAWJCAQDO-VIFPVBQESA-N -1 3 278.333 1.789 10 0 CDAEHM COC(C)(C)CS(=O)(=O)[N-][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528543896 356674438 /nfs/dbraw/zinc/67/44/38/356674438.db2.gz IUIDLYWLBWIBGK-NAKRPEOUSA-N -1 3 279.402 1.143 10 0 CDAEHM COc1nnc(NC(=O)c2cccn2Cc2ccccc2)[n-]1 ZINC000309590772 538821001 /nfs/dbraw/zinc/82/10/01/538821001.db2.gz FPOWFPXXEDQWJD-UHFFFAOYSA-N -1 3 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CDAEHM COc1ccc([O-])c(C(=O)N[C@@H]2CCOC2(C)C)c1 ZINC000295964910 357590309 /nfs/dbraw/zinc/59/03/09/357590309.db2.gz RWZSJWLWWBQIGH-GFCCVEGCSA-N -1 3 265.309 1.698 10 0 CDAEHM COC[C@@H]1CN(C(=O)c2cccc([O-])c2)C[C@@H](C)O1 ZINC000188225451 357861715 /nfs/dbraw/zinc/86/17/15/357861715.db2.gz DMZZNDNNRCNFRF-MFKMUULPSA-N -1 3 265.309 1.268 10 0 CDAEHM COC(=O)CS(=O)(=O)[N-][C@@H](C)c1cccc(Cl)c1 ZINC000072275110 358088683 /nfs/dbraw/zinc/08/86/83/358088683.db2.gz HARYHRRQBHFWBF-QMMMGPOBSA-N -1 3 291.756 1.493 10 0 CDAEHM O=C(Cc1ccc([O-])cc1Cl)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000408186808 358323712 /nfs/dbraw/zinc/32/37/12/358323712.db2.gz JMNQPBCWISNZHL-SUHUHFCYSA-N -1 3 295.766 1.817 10 0 CDAEHM Cc1sc(NCCN2CCCC[C@H]2C)nc1C(=O)[O-] ZINC000569367098 358398408 /nfs/dbraw/zinc/39/84/08/358398408.db2.gz ZDYXADQZIFCNBJ-SECBINFHSA-N -1 3 283.397 1.858 10 0 CDAEHM O=C(NC[C@@H](O)Cc1ccccc1)c1c([O-])cccc1O ZINC000092121146 358524776 /nfs/dbraw/zinc/52/47/76/358524776.db2.gz 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/nfs/dbraw/zinc/20/33/94/359203394.db2.gz CAFKNUOQSZRGOL-SWLSCSKDSA-N -1 3 277.320 1.460 10 0 CDAEHM CCc1nc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)co1 ZINC000347529669 359423663 /nfs/dbraw/zinc/42/36/63/359423663.db2.gz QROWXYXZJGTZFT-UHFFFAOYSA-N -1 3 283.291 1.696 10 0 CDAEHM C[C@@H](CC(=O)NCc1ncccc1[O-])n1ccnc1 ZINC000580455960 359628175 /nfs/dbraw/zinc/62/81/75/359628175.db2.gz VGZASAHAKXBROA-JTQLQIEISA-N -1 3 260.297 1.251 10 0 CDAEHM C[C@H](CC(=O)NCc1ncccc1[O-])n1ccnc1 ZINC000580455962 359628652 /nfs/dbraw/zinc/62/86/52/359628652.db2.gz VGZASAHAKXBROA-SNVBAGLBSA-N -1 3 260.297 1.251 10 0 CDAEHM C[C@@H]1c2ccccc2CN1C(=O)CN1CC(=O)[N-]C1=O ZINC000329328025 202284855 /nfs/dbraw/zinc/28/48/55/202284855.db2.gz KGLTZDRMIXAPQB-SECBINFHSA-N -1 3 273.292 1.482 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000408406856 359739992 /nfs/dbraw/zinc/73/99/92/359739992.db2.gz JIGBTPAFSCVVOZ-UMVBOHGHSA-N -1 3 291.347 1.394 10 0 CDAEHM O=C(NCC(F)F)c1cc(=O)c2ccccc2[n-]1 ZINC000336524164 363692514 /nfs/dbraw/zinc/69/25/14/363692514.db2.gz UGXOMXNDSMHWHX-UHFFFAOYSA-N -1 3 252.220 1.523 10 0 CDAEHM C[C@]1(CN2CCN(c3nc(=N)[n-]s3)CC2)CCCS1 ZINC000628189819 360192514 /nfs/dbraw/zinc/19/25/14/360192514.db2.gz NYPAKLGKDJHAIU-GFCCVEGCSA-N -1 3 299.469 1.358 10 0 CDAEHM Cc1ccc([O-])c(CNCCOC(F)(F)F)n1 ZINC000353190904 360240224 /nfs/dbraw/zinc/24/02/24/360240224.db2.gz IPIAEEAVIJBUEI-UHFFFAOYSA-N -1 3 250.220 1.722 10 0 CDAEHM COc1nn(C)cc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000337576255 360263525 /nfs/dbraw/zinc/26/35/25/360263525.db2.gz WZBITHMMUGIINT-UHFFFAOYSA-N -1 3 290.258 1.091 10 0 CDAEHM COc1nn(C)cc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000337576255 360263529 /nfs/dbraw/zinc/26/35/29/360263529.db2.gz WZBITHMMUGIINT-UHFFFAOYSA-N -1 3 290.258 1.091 10 0 CDAEHM COc1nn(C)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000337576255 360263532 /nfs/dbraw/zinc/26/35/32/360263532.db2.gz WZBITHMMUGIINT-UHFFFAOYSA-N -1 3 290.258 1.091 10 0 CDAEHM CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000634845112 360283705 /nfs/dbraw/zinc/28/37/05/360283705.db2.gz ZONWXDUWIISNOM-WOPDTQHZSA-N -1 3 282.384 1.476 10 0 CDAEHM CNC(=O)[C@@H]1CCN(C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000335509355 360288727 /nfs/dbraw/zinc/28/87/27/360288727.db2.gz FOJKLYYXWGVBPS-LLVKDONJSA-N -1 3 276.336 1.217 10 0 CDAEHM COc1cc2c(cc1F)CC[C@@H]2N=c1ncnc2[nH][n-]cc1-2 ZINC000337753152 360404800 /nfs/dbraw/zinc/40/48/00/360404800.db2.gz KJAFSZKPYWFOCH-LBPRGKRZSA-N -1 3 299.309 1.974 10 0 CDAEHM CCC(=O)N1CCN(C(=O)c2cc(CC)ccc2[O-])C1 ZINC000335609995 360544919 /nfs/dbraw/zinc/54/49/19/360544919.db2.gz HJUTUYCXNUETJQ-UHFFFAOYSA-N -1 3 276.336 1.607 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CCCC2(C)C)c1 ZINC000408370596 360731224 /nfs/dbraw/zinc/73/12/24/360731224.db2.gz MZTZHORDVBQMMF-SNVBAGLBSA-N -1 3 271.386 1.760 10 0 CDAEHM COc1cc2c(cc1F)CC[C@H]2NC(=O)c1c[n-]nn1 ZINC000338170340 360740668 /nfs/dbraw/zinc/74/06/68/360740668.db2.gz QXRONFMFRFEHCN-SNVBAGLBSA-N -1 3 276.271 1.370 10 0 CDAEHM COc1cc2c(cc1F)CC[C@H]2NC(=O)c1cnn[n-]1 ZINC000338170340 360740675 /nfs/dbraw/zinc/74/06/75/360740675.db2.gz QXRONFMFRFEHCN-SNVBAGLBSA-N -1 3 276.271 1.370 10 0 CDAEHM COc1cc2c(cc1F)CC[C@H]2NC(=O)c1cn[n-]n1 ZINC000338170340 360740681 /nfs/dbraw/zinc/74/06/81/360740681.db2.gz QXRONFMFRFEHCN-SNVBAGLBSA-N -1 3 276.271 1.370 10 0 CDAEHM CSc1ccc([O-])c(C(=O)NC[C@H](O)[C@H]2CCCO2)c1 ZINC000628601716 360845130 /nfs/dbraw/zinc/84/51/30/360845130.db2.gz YCHMLZOSVVWNNP-QWHCGFSZSA-N -1 3 297.376 1.384 10 0 CDAEHM C[C@@H](CN(C)C)N=c1[n-]nc(C2CCOCC2)s1 ZINC000338728341 360985253 /nfs/dbraw/zinc/98/52/53/360985253.db2.gz XEOLFQDPGQUFKO-VIFPVBQESA-N -1 3 270.402 1.216 10 0 CDAEHM COC(=O)C1CCC(C(=O)[N-]C2=NCCS2)CC1 ZINC000179908112 189227545 /nfs/dbraw/zinc/22/75/45/189227545.db2.gz DYFDMFZMANFRHU-UHFFFAOYSA-N -1 3 270.354 1.185 10 0 CDAEHM CSc1ccc([O-])c(C(=O)N[C@H]2C[C@H](C(N)=O)C2)c1 ZINC000628772721 361055713 /nfs/dbraw/zinc/05/57/13/361055713.db2.gz GCQBJHJTTCHFFV-ZKCHVHJHSA-N -1 3 280.349 1.108 10 0 CDAEHM O=C(NC[C@@H]1CCC[C@@H]1O)c1cc([O-])ccc1Cl ZINC000236567568 361345200 /nfs/dbraw/zinc/34/52/00/361345200.db2.gz RSPRVBZYWJGELN-UFBFGSQYSA-N -1 3 269.728 1.936 10 0 CDAEHM CCc1cc(C(=O)Nc2cc(OC)n(C)n2)ccc1[O-] ZINC000644068884 363768647 /nfs/dbraw/zinc/76/86/47/363768647.db2.gz SIONGCIUAQEWDX-UHFFFAOYSA-N -1 3 275.308 1.949 10 0 CDAEHM C/C=C/CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000629036015 361425881 /nfs/dbraw/zinc/42/58/81/361425881.db2.gz GWDDBABZGWSHCH-SNAWJCMRSA-N -1 3 251.282 1.715 10 0 CDAEHM COc1cc(NC(=O)[N-]c2cnns2)ccc1O ZINC000436394631 361504783 /nfs/dbraw/zinc/50/47/83/361504783.db2.gz WLAIIHHWLLEPKN-UHFFFAOYSA-N -1 3 266.282 1.896 10 0 CDAEHM Cc1ccc(C(=O)Nc2ccc(C(N)=O)nc2)c([O-])c1C ZINC000436592214 361537878 /nfs/dbraw/zinc/53/78/78/361537878.db2.gz ZPLXXAITGXYTFW-UHFFFAOYSA-N -1 3 285.303 1.755 10 0 CDAEHM CCc1nnc([C@H](C)NC(=O)c2cccc(OC)c2[O-])[nH]1 ZINC000436735460 361567123 /nfs/dbraw/zinc/56/71/23/361567123.db2.gz GBIQJSJSAIVKEQ-QMMMGPOBSA-N -1 3 290.323 1.572 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CDAEHM COc1nnc(NC(=O)C[C@@H](C)C(=O)c2ccccc2)[n-]1 ZINC000679320527 483336933 /nfs/dbraw/zinc/33/69/33/483336933.db2.gz XDPYSWVERMSIFV-SECBINFHSA-N -1 3 288.307 1.661 10 0 CDAEHM COc1nc(NC(=O)C[C@@H](C)C(=O)c2ccccc2)n[n-]1 ZINC000679320527 483336929 /nfs/dbraw/zinc/33/69/29/483336929.db2.gz XDPYSWVERMSIFV-SECBINFHSA-N -1 3 288.307 1.661 10 0 CDAEHM COc1n[n-]c(NC(=O)C[C@@H](C)C(=O)c2ccccc2)n1 ZINC000679320527 483336937 /nfs/dbraw/zinc/33/69/37/483336937.db2.gz XDPYSWVERMSIFV-SECBINFHSA-N -1 3 288.307 1.661 10 0 CDAEHM Cc1cc(C(=O)N2CCC(OCCCO)CC2)ccc1[O-] ZINC000679410457 483361525 /nfs/dbraw/zinc/36/15/25/483361525.db2.gz UTUWNXCLXYSELQ-UHFFFAOYSA-N -1 3 293.363 1.704 10 0 CDAEHM COc1nc(NC(=O)C(C)(C)C2CCC(O)CC2)n[n-]1 ZINC000667975791 483505908 /nfs/dbraw/zinc/50/59/08/483505908.db2.gz RFPLHTCLDHYREZ-UHFFFAOYSA-N -1 3 282.344 1.329 10 0 CDAEHM COc1nnc(NC(=O)C(C)(C)C2CCC(O)CC2)[n-]1 ZINC000667975791 483505910 /nfs/dbraw/zinc/50/59/10/483505910.db2.gz RFPLHTCLDHYREZ-UHFFFAOYSA-N -1 3 282.344 1.329 10 0 CDAEHM Cc1cc(NC(=O)c2nnc[n-]2)nn1[C@@H](C)C1CC1 ZINC000680227392 483556253 /nfs/dbraw/zinc/55/62/53/483556253.db2.gz CRBRRDONXMTXOY-QMMMGPOBSA-N -1 3 260.301 1.533 10 0 CDAEHM Cc1cc(NC(=O)c2nc[n-]n2)nn1[C@@H](C)C1CC1 ZINC000680227392 483556256 /nfs/dbraw/zinc/55/62/56/483556256.db2.gz CRBRRDONXMTXOY-QMMMGPOBSA-N -1 3 260.301 1.533 10 0 CDAEHM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@H]2C[C@H]2C)c(C)o1 ZINC000163500635 1160680291 /nfs/dbraw/zinc/68/02/91/1160680291.db2.gz KSUSMLNEWHJZKD-VXNVDRBHSA-N -1 3 287.337 1.309 10 0 CDAEHM CC(C)c1n[n-]c(=S)n1C[C@H]1CN(C)CCN1C ZINC000068807037 519857958 /nfs/dbraw/zinc/85/79/58/519857958.db2.gz CGSLDQAQMVBPEQ-SNVBAGLBSA-N -1 3 269.418 1.310 10 0 CDAEHM CCc1ncc(S(=O)(=O)[N-]Cc2cscn2)s1 ZINC000359256164 522576732 /nfs/dbraw/zinc/57/67/32/522576732.db2.gz SBXQOLZSURWGCH-UHFFFAOYSA-N -1 3 289.407 1.641 10 0 CDAEHM CC(C)[C@@H](CN(C)C)NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000049230679 519793370 /nfs/dbraw/zinc/79/33/70/519793370.db2.gz 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O=S(=O)([N-][C@@H]1CNOC1)c1cccc(Cl)c1Cl ZINC000722500917 901608328 /nfs/dbraw/zinc/60/83/28/901608328.db2.gz MGOBRGZTJIMEBD-ZCFIWIBFSA-N -1 3 297.163 1.175 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2nncn2C)C(C)C)o1 ZINC000352281694 914658720 /nfs/dbraw/zinc/65/87/20/914658720.db2.gz NQZOQAXLJVPXMU-LLVKDONJSA-N -1 3 298.368 1.392 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C2([C@H]3CCCCO3)CC2)o1 ZINC000922098520 921272043 /nfs/dbraw/zinc/27/20/43/921272043.db2.gz FVYWNAVPIZOZGO-LLVKDONJSA-N -1 3 285.365 1.968 10 0 CDAEHM C[C@H](CCNC(=O)c1cc2c(cc1[O-])OCO2)[S@@](C)=O ZINC000436882117 910459384 /nfs/dbraw/zinc/45/93/84/910459384.db2.gz QKNJGFZRKNTHIU-ZPWHCFADSA-N -1 3 299.348 1.008 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cc3c(cc2[O-])OCO3)[C@@H](C)[C@@H](C)O1 ZINC000438410665 911223855 /nfs/dbraw/zinc/22/38/55/911223855.db2.gz LQIFZYMCNKYPDT-KXUCPTDWSA-N -1 3 293.319 1.759 10 0 CDAEHM O=C1N[C@]2(CCSC2)C(=O)N1Cc1ccc([O-])c(F)c1 ZINC000349051781 911322904 /nfs/dbraw/zinc/32/29/04/911322904.db2.gz 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260.297 1.775 10 0 CDAEHM O=C(OCCO[C@@H]1CCOC1)c1cc2occc2[n-]1 ZINC000922669159 921737390 /nfs/dbraw/zinc/73/73/90/921737390.db2.gz JTQXGEMIIRFEIW-SECBINFHSA-N -1 3 265.265 1.723 10 0 CDAEHM CCC1(C(=O)N[C@@H](C)CCCNCc2n[nH]c(=O)[n-]2)CC1 ZINC001485738994 917234402 /nfs/dbraw/zinc/23/44/02/917234402.db2.gz ZZUOOSRRZYPIJY-JTQLQIEISA-N -1 3 295.387 1.075 10 0 CDAEHM CSC(C)(C)C[N-]S(=O)(=O)c1cscn1 ZINC000827276302 936518768 /nfs/dbraw/zinc/51/87/68/936518768.db2.gz ZOIASTNUTKHPEM-UHFFFAOYSA-N -1 3 266.413 1.563 10 0 CDAEHM CO[C@@H]1CC[C@H](C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000832444740 936579577 /nfs/dbraw/zinc/57/95/77/936579577.db2.gz RZRNZIZBKXHBNT-NKWVEPMBSA-N -1 3 292.261 1.255 10 0 CDAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccco2)CCS1 ZINC000921713446 919990085 /nfs/dbraw/zinc/99/00/85/919990085.db2.gz XDGBEMJWLDUNLJ-RKDXNWHRSA-N -1 3 261.368 1.842 10 0 CDAEHM FC(F)(F)c1cnc(CN=c2ncnc3[nH][n-]cc2-3)nc1 ZINC001186499656 920038554 /nfs/dbraw/zinc/03/85/54/920038554.db2.gz 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ZINC001363188682 971956015 /nfs/dbraw/zinc/95/60/15/971956015.db2.gz ATISAXNNKFXRJO-SSDOTTSWSA-N -1 3 299.331 1.055 10 0 CDAEHM CCOc1n[n-]c(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)n1 ZINC001363188682 971956021 /nfs/dbraw/zinc/95/60/21/971956021.db2.gz ATISAXNNKFXRJO-SSDOTTSWSA-N -1 3 299.331 1.055 10 0 CDAEHM CC(=O)c1nn(C)cc1OCc1cc(=O)[n-]c(C2CC2)n1 ZINC001363767843 953767551 /nfs/dbraw/zinc/76/75/51/953767551.db2.gz XKAZBGDLFOTHGP-UHFFFAOYSA-N -1 3 288.307 1.575 10 0 CDAEHM Cc1cccc(OCCCNC(=O)c2cnncc2[O-])c1 ZINC001290362792 954041716 /nfs/dbraw/zinc/04/17/16/954041716.db2.gz HJZXUWCLMXWAEN-UHFFFAOYSA-N -1 3 287.319 1.690 10 0 CDAEHM C[C@@H](CCNCc1cc2n(n1)CCCC2)CC(=O)[O-] ZINC001326756200 954527007 /nfs/dbraw/zinc/52/70/07/954527007.db2.gz GUOOZHVPMZIPNQ-NSHDSACASA-N -1 3 265.357 1.810 10 0 CDAEHM C[C@H](NC(=O)C(C)(C)CO)c1nc(C(F)(F)F)n[n-]1 ZINC001365028453 955516630 /nfs/dbraw/zinc/51/66/30/955516630.db2.gz QOJXZVWTBXEYPG-YFKPBYRVSA-N -1 3 280.250 1.019 10 0 CDAEHM O=C(CC(F)(F)C(F)F)N1CCc2c(=O)[n-]cnc2C1 ZINC001339409752 956628682 /nfs/dbraw/zinc/62/86/82/956628682.db2.gz QHDBBBPKAYXVPL-UHFFFAOYSA-N -1 3 293.220 1.357 10 0 CDAEHM O=C([O-])[C@@H]1C=C[C@@H](NCc2cc3cccnc3o2)C1 ZINC001331981342 957381611 /nfs/dbraw/zinc/38/16/11/957381611.db2.gz DEJYPVGZBCKSLM-GHMZBOCLSA-N -1 3 258.277 1.947 10 0 CDAEHM CCCn1cc(CN[C@@H](C[C@@H](C)CC)C(=O)[O-])nn1 ZINC001333125726 958090511 /nfs/dbraw/zinc/09/05/11/958090511.db2.gz WVEOFTLRUDYENR-JQWIXIFHSA-N -1 3 268.361 1.667 10 0 CDAEHM Cc1ccnc(C(=O)[N-]c2ncn(Cc3cccnc3)n2)n1 ZINC001321015949 959535588 /nfs/dbraw/zinc/53/55/88/959535588.db2.gz LKGRDGCEDKTSAN-UHFFFAOYSA-N -1 3 295.306 1.072 10 0 CDAEHM CC[C@@H](F)C(=O)NC[C@H]1CCN1C(=O)c1ccccc1[O-] ZINC001433779206 960609089 /nfs/dbraw/zinc/60/90/89/960609089.db2.gz QHMPRGPMNJIHKU-ZYHUDNBSSA-N -1 3 294.326 1.471 10 0 CDAEHM CC(C)CN(Cc1nnn[n-]1)C(=O)[C@H]1CCCN1C(C)C ZINC001434342042 961174085 /nfs/dbraw/zinc/17/40/85/961174085.db2.gz VHQQXWBIRMTZGL-GFCCVEGCSA-N -1 3 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ZINC000597186697 343478940 /nfs/dbraw/zinc/47/89/40/343478940.db2.gz MBBUHTHATZFBAQ-JOYOIKCWSA-N -1 3 285.727 1.466 10 0 CDAEHM COC(=O)[C@H]1C[C@@H](N(C)C(=O)c2ccc(C)cc2[O-])C1 ZINC000598426804 343787368 /nfs/dbraw/zinc/78/73/68/343787368.db2.gz NQNUQKKFDLEHHM-PHIMTYICSA-N -1 3 277.320 1.724 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)[C@@H]2C[C@H](C)O[C@@H]2C)[n-]1 ZINC000601530473 344190115 /nfs/dbraw/zinc/19/01/15/344190115.db2.gz URUPFPRGSZEPFD-DJLDLDEBSA-N -1 3 281.312 1.338 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)[C@@H]2C[C@H](C)O[C@@H]2C)c[n-]1 ZINC000601530473 344190116 /nfs/dbraw/zinc/19/01/16/344190116.db2.gz URUPFPRGSZEPFD-DJLDLDEBSA-N -1 3 281.312 1.338 10 0 CDAEHM CCCn1c(=O)[n-]nc1S[C@@H](C)c1nnnn1C1CC1 ZINC000571392951 362483653 /nfs/dbraw/zinc/48/36/53/362483653.db2.gz ONBSQNIDGXOPMI-ZETCQYMHSA-N -1 3 295.372 1.568 10 0 CDAEHM N[C@H](COc1ccc(Br)cc1)C(=O)[O-] ZINC000083828161 178751120 /nfs/dbraw/zinc/75/11/20/178751120.db2.gz FPJXAVTUSPPJEN-MRVPVSSYSA-N -1 3 260.087 1.240 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000617266047 345093387 /nfs/dbraw/zinc/09/33/87/345093387.db2.gz LNDSMSJSKRUMKA-GFCCVEGCSA-N -1 3 286.335 1.454 10 0 CDAEHM CCc1cc([N-]C(=O)c2ccc(CS(C)(=O)=O)o2)no1 ZINC000606889959 345100404 /nfs/dbraw/zinc/10/04/04/345100404.db2.gz ONFTZIVQSZTIFS-UHFFFAOYSA-N -1 3 298.320 1.049 10 0 CDAEHM CC[C@@H](COCC1CC1)NC(=O)c1cccc2nn[n-]c21 ZINC000617334458 345162415 /nfs/dbraw/zinc/16/24/15/345162415.db2.gz LMBQXXBFLBSTAI-NSHDSACASA-N -1 3 288.351 1.893 10 0 CDAEHM CC[C@@H](COCC1CC1)NC(=O)c1cccc2[n-]nnc21 ZINC000617334458 345162420 /nfs/dbraw/zinc/16/24/20/345162420.db2.gz LMBQXXBFLBSTAI-NSHDSACASA-N -1 3 288.351 1.893 10 0 CDAEHM CC[C@@H](COCC1CC1)NC(=O)c1cccc2n[n-]nc21 ZINC000617334458 345162422 /nfs/dbraw/zinc/16/24/22/345162422.db2.gz LMBQXXBFLBSTAI-NSHDSACASA-N -1 3 288.351 1.893 10 0 CDAEHM Cn1c([N-]C(=O)c2conc2C2CC2)nnc1C1CC1 ZINC000617283778 345124073 /nfs/dbraw/zinc/12/40/73/345124073.db2.gz GUNQNUGTNPUEGD-UHFFFAOYSA-N -1 3 273.296 1.810 10 0 CDAEHM O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1cc(=O)[n-]cn1 ZINC000626350677 345264275 /nfs/dbraw/zinc/26/42/75/345264275.db2.gz PAPWGDCKDXAMBG-WFASDCNBSA-N -1 3 299.330 1.690 10 0 CDAEHM CCn1ccc(=NC(=O)c2c(C)[n-]nc2C(C)C)[nH]1 ZINC000618042113 345328491 /nfs/dbraw/zinc/32/84/91/345328491.db2.gz MSGVJRLHNFLCCR-UHFFFAOYSA-N -1 3 261.329 1.732 10 0 CDAEHM CCn1ccc(=NC(=O)c2c(C)n[n-]c2C(C)C)[nH]1 ZINC000618042113 345328494 /nfs/dbraw/zinc/32/84/94/345328494.db2.gz MSGVJRLHNFLCCR-UHFFFAOYSA-N -1 3 261.329 1.732 10 0 CDAEHM O=S(=O)(Cc1ccon1)[N-]Cc1ccc(Cl)o1 ZINC000608018666 345510641 /nfs/dbraw/zinc/51/06/41/345510641.db2.gz ISYRXBOQZINRLJ-UHFFFAOYSA-N -1 3 276.701 1.541 10 0 CDAEHM O=C([N-]c1cnoc1)c1cn(Cc2cccs2)nn1 ZINC000608122352 345600830 /nfs/dbraw/zinc/60/08/30/345600830.db2.gz WMMNSCSVJFXZPJ-UHFFFAOYSA-N -1 3 275.293 1.628 10 0 CDAEHM CCn1ccnc1NC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000412862158 362599425 /nfs/dbraw/zinc/59/94/25/362599425.db2.gz FWUBWNPGDISPCQ-UHFFFAOYSA-N -1 3 262.269 1.270 10 0 CDAEHM CCN(C(=O)c1ccc(OC)cc1[O-])[C@@H]1CCN(C)C1 ZINC000617558507 345853725 /nfs/dbraw/zinc/85/37/25/345853725.db2.gz DOUUNPMRSZZHEU-LLVKDONJSA-N -1 3 278.352 1.567 10 0 CDAEHM CCN1CCC[C@H](NC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C1 ZINC000085338395 179025019 /nfs/dbraw/zinc/02/50/19/179025019.db2.gz MANXCHBFLVNGII-SDDRHHMPSA-N -1 3 283.372 1.023 10 0 CDAEHM C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000085338692 179025064 /nfs/dbraw/zinc/02/50/64/179025064.db2.gz UAVJGCJOGCJQDE-AGIUHOORSA-N -1 3 297.399 1.413 10 0 CDAEHM CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000085339088 179025106 /nfs/dbraw/zinc/02/51/06/179025106.db2.gz NWFWSOWGHXJJJT-FRRDWIJNSA-N -1 3 299.415 1.515 10 0 CDAEHM CCC[C@](C)(N)C(=O)N[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000085324293 179017225 /nfs/dbraw/zinc/01/72/25/179017225.db2.gz UVDHEVBOHASIJF-KWBADKCTSA-N -1 3 256.346 1.264 10 0 CDAEHM CC(C)N(C(=O)CN1CC[C@@H](C)[C@H](C(=O)[O-])C1)C(C)C ZINC000571561953 362682723 /nfs/dbraw/zinc/68/27/23/362682723.db2.gz YBPAZWCXBBLNMX-CHWSQXEVSA-N -1 3 284.400 1.674 10 0 CDAEHM CC(C)CO[C@@H]1C[C@H](N[C@@H](C)c2nn[n-]n2)C1(C)C ZINC000085401380 179052239 /nfs/dbraw/zinc/05/22/39/179052239.db2.gz RGINOXZCBMVMKV-GARJFASQSA-N -1 3 267.377 1.690 10 0 CDAEHM CC(C)CO[C@@H]1C[C@H](N[C@@H](C)c2nnn[n-]2)C1(C)C ZINC000085401380 179052242 /nfs/dbraw/zinc/05/22/42/179052242.db2.gz RGINOXZCBMVMKV-GARJFASQSA-N -1 3 267.377 1.690 10 0 CDAEHM Cc1nc([C@H]2CCC[C@@H](C)C2)[n-]c(=O)c1CCO ZINC000085403925 179053176 /nfs/dbraw/zinc/05/31/76/179053176.db2.gz YVCJGCQILVMVKA-KOLCDFICSA-N -1 3 250.342 1.907 10 0 CDAEHM COC[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000354974380 365811506 /nfs/dbraw/zinc/81/15/06/365811506.db2.gz LAKSDWIJGQDRQK-VIFPVBQESA-N -1 3 260.293 1.293 10 0 CDAEHM COc1ccc2c(c1)N(C(=O)c1cnn[n-]1)CCC2 ZINC000619936130 349969470 /nfs/dbraw/zinc/96/94/70/349969470.db2.gz LDSVZFUMIDEIMZ-UHFFFAOYSA-N -1 3 258.281 1.406 10 0 CDAEHM COc1ccc2c(c1)N(C(=O)c1c[n-]nn1)CCC2 ZINC000619936130 349969474 /nfs/dbraw/zinc/96/94/74/349969474.db2.gz LDSVZFUMIDEIMZ-UHFFFAOYSA-N -1 3 258.281 1.406 10 0 CDAEHM COc1ccc2c(c1)N(C(=O)c1cn[n-]n1)CCC2 ZINC000619936130 349969478 /nfs/dbraw/zinc/96/94/78/349969478.db2.gz LDSVZFUMIDEIMZ-UHFFFAOYSA-N -1 3 258.281 1.406 10 0 CDAEHM O=C([O-])CCN1CCN2c3ccccc3CC[C@@H]2C1 ZINC000584632603 346510257 /nfs/dbraw/zinc/51/02/57/346510257.db2.gz NCHANTFDNAGTMG-CYBMUJFWSA-N -1 3 260.337 1.598 10 0 CDAEHM Cc1c(S(=O)(=O)[N-][C@H]2CCCC2(F)F)cnn1C ZINC000644221104 365821884 /nfs/dbraw/zinc/82/18/84/365821884.db2.gz HJBJETYZPWHYHL-VIFPVBQESA-N -1 3 279.312 1.195 10 0 CDAEHM COc1ccc(NC(=O)COCC(F)F)c([O-])c1 ZINC000626608434 346655129 /nfs/dbraw/zinc/65/51/29/346655129.db2.gz YCPPPKIVEQXRRK-UHFFFAOYSA-N -1 3 261.224 1.621 10 0 CDAEHM O=C(N=c1cc2ccccn2[n-]1)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000626562445 346640228 /nfs/dbraw/zinc/64/02/28/346640228.db2.gz XQBAVVOWOUKHIZ-DGCLKSJQSA-N -1 3 286.335 1.445 10 0 CDAEHM CC(C)c1ccc([C@H](C)NC(=O)[C@@H](N)CC(=O)[O-])cc1 ZINC000085813756 179178679 /nfs/dbraw/zinc/17/86/79/179178679.db2.gz XCNNGZLXCPNDDB-GWCFXTLKSA-N -1 3 278.352 1.789 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000085811122 179177373 /nfs/dbraw/zinc/17/73/73/179177373.db2.gz CKHSFZNHLWJZSG-QMMMGPOBSA-N -1 3 277.107 1.734 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)Nc1cccc(Cl)c1F ZINC000085811567 179177673 /nfs/dbraw/zinc/17/76/73/179177673.db2.gz JXSLXIQWRIRBJC-ZCFIWIBFSA-N -1 3 260.652 1.220 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000085810974 179177801 /nfs/dbraw/zinc/17/78/01/179177801.db2.gz LWZCMUPVQZSXDW-SECBINFHSA-N -1 3 290.241 1.124 10 0 CDAEHM CC(C)CCCCCCNC(=O)[C@@H](N)CCC(=O)[O-] ZINC000085842162 179184888 /nfs/dbraw/zinc/18/48/88/179184888.db2.gz HRVWZHQICTUKTQ-LBPRGKRZSA-N -1 3 272.389 1.901 10 0 CDAEHM N[C@@H](CCC(=O)[O-])C(=O)N(Cc1cccc(O)c1)C1CC1 ZINC000085840283 179185184 /nfs/dbraw/zinc/18/51/84/179185184.db2.gz CETQZBDKMMQMMN-ZDUSSCGKSA-N -1 3 292.335 1.075 10 0 CDAEHM Cc1ccc(C)c([C@H](C)NC(=O)[C@H](N)CC(=O)[O-])c1 ZINC000085814732 179179027 /nfs/dbraw/zinc/17/90/27/179179027.db2.gz OVRDRUCEYKYEFR-CMPLNLGQSA-N -1 3 264.325 1.283 10 0 CDAEHM COc1ccc([C@@H]2CCCN2C(=O)[C@@H](N)CC(=O)[O-])cc1 ZINC000085815410 179179588 /nfs/dbraw/zinc/17/95/88/179179588.db2.gz LXIVQXHPBPKMGQ-STQMWFEESA-N -1 3 292.335 1.161 10 0 CDAEHM CCN(C(=O)[C@@H](N)CC(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000085816253 179180204 /nfs/dbraw/zinc/18/02/04/179180204.db2.gz LCBHDPQMCMPGDN-CABZTGNLSA-N -1 3 282.315 1.537 10 0 CDAEHM Cc1ccc2cccc(NC(=O)[C@H](N)CC(=O)[O-])c2n1 ZINC000085817988 179181387 /nfs/dbraw/zinc/18/13/87/179181387.db2.gz SYFAWNXYJALQNI-SNVBAGLBSA-N -1 3 273.292 1.284 10 0 CDAEHM C[C@@H](O)CC[N-]S(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000085964861 179205622 /nfs/dbraw/zinc/20/56/22/179205622.db2.gz YDWFDQNKKHUPGV-ZCFIWIBFSA-N -1 3 296.751 1.111 10 0 CDAEHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@@]2(O)C[C@H]2C1 ZINC000618756441 347282095 /nfs/dbraw/zinc/28/20/95/347282095.db2.gz XJCSOIBVFPNASX-SUMWQHHRSA-N -1 3 287.359 1.868 10 0 CDAEHM COc1nc(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)n[n-]1 ZINC000613196686 347462850 /nfs/dbraw/zinc/46/28/50/347462850.db2.gz URIIOUZSRZPMNI-CPCISQLKSA-N -1 3 286.282 1.967 10 0 CDAEHM COc1nnc(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)[n-]1 ZINC000613196686 347462852 /nfs/dbraw/zinc/46/28/52/347462852.db2.gz URIIOUZSRZPMNI-CPCISQLKSA-N -1 3 286.282 1.967 10 0 CDAEHM COc1n[n-]c(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)n1 ZINC000613196686 347462854 /nfs/dbraw/zinc/46/28/54/347462854.db2.gz URIIOUZSRZPMNI-CPCISQLKSA-N -1 3 286.282 1.967 10 0 CDAEHM O=C(Nc1ccc([O-])cc1F)[C@H]1CCc2nc[nH]c2C1 ZINC000613332947 347688681 /nfs/dbraw/zinc/68/86/81/347688681.db2.gz ZPMGJDUWXBUVQL-QMMMGPOBSA-N -1 3 275.283 1.998 10 0 CDAEHM O=C(Nc1ccc([O-])cc1F)[C@H]1CCc2[nH]cnc2C1 ZINC000613332947 347688685 /nfs/dbraw/zinc/68/86/85/347688685.db2.gz ZPMGJDUWXBUVQL-QMMMGPOBSA-N -1 3 275.283 1.998 10 0 CDAEHM COc1cc(=NC(=O)c2ccc3c(c2)C[C@@H](C)O3)[n-]n1C ZINC000613617622 347802631 /nfs/dbraw/zinc/80/26/31/347802631.db2.gz YMYBVIWGUAPNNC-SECBINFHSA-N -1 3 287.319 1.426 10 0 CDAEHM [O-]c1ccc([C@H](CCO)NO)cc1Br ZINC000308592544 365951166 /nfs/dbraw/zinc/95/11/66/365951166.db2.gz PRUXRFXJUAHTHK-QMMMGPOBSA-N -1 3 262.103 1.557 10 0 CDAEHM O=C(Cn1cc(C2CC2)cn1)NCc1ncccc1[O-] ZINC000614254145 348058789 /nfs/dbraw/zinc/05/87/89/348058789.db2.gz FNJKSBGOAYOGMK-UHFFFAOYSA-N -1 3 272.308 1.178 10 0 CDAEHM Cc1cc(C(=O)N[C@H]2C[C@@H](O)C23CCC3)ccc1[O-] ZINC000619078026 348188618 /nfs/dbraw/zinc/18/86/18/348188618.db2.gz NSWFUHXGBXCOJI-QWHCGFSZSA-N -1 3 261.321 1.734 10 0 CDAEHM O=C(NC[C@@H](O)C1CC1)c1ccc2c(c1[O-])CCCC2 ZINC000273376395 192131949 /nfs/dbraw/zinc/13/19/49/192131949.db2.gz CXWLTFDXTYYNFE-CQSZACIVSA-N -1 3 275.348 1.772 10 0 CDAEHM CCc1c(N)nc(-c2ccc(F)c(F)c2)[n-]c1=O ZINC000104167216 185915455 /nfs/dbraw/zinc/91/54/55/185915455.db2.gz RZBZDQWIOBAORH-UHFFFAOYSA-N -1 3 251.236 1.860 10 0 CDAEHM CC(C)OCn1cc(Br)c(=O)[n-]c1=O ZINC000306850437 362932020 /nfs/dbraw/zinc/93/20/20/362932020.db2.gz OWBORKVJSDHOQP-UHFFFAOYSA-N -1 3 263.091 1.094 10 0 CDAEHM CCOC(=O)c1nnc(CNC(=O)CC2CCCCC2)[n-]1 ZINC000615916587 348992498 /nfs/dbraw/zinc/99/24/98/348992498.db2.gz FJLSSILRUXTYOC-UHFFFAOYSA-N -1 3 294.355 1.568 10 0 CDAEHM NC(=O)C1(C(=O)NCc2ccc([O-])c3ncccc23)CCC1 ZINC000616024945 349252452 /nfs/dbraw/zinc/25/24/52/349252452.db2.gz IGJMGGMGNZVJHZ-UHFFFAOYSA-N -1 3 299.330 1.212 10 0 CDAEHM CC(C)OCC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616025846 349254173 /nfs/dbraw/zinc/25/41/73/349254173.db2.gz WYIAVLUSFGIIPV-UHFFFAOYSA-N -1 3 274.320 1.982 10 0 CDAEHM C[C@@H]1CN(Cc2nc(=O)[n-][nH]2)C[C@@H](c2ccccc2)O1 ZINC000271213149 191006308 /nfs/dbraw/zinc/00/63/08/191006308.db2.gz WAWKEETULTXMMN-PWSUYJOCSA-N -1 3 274.324 1.060 10 0 CDAEHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@@H]2COC[C@H]2C1 ZINC000620157055 350072055 /nfs/dbraw/zinc/07/20/55/350072055.db2.gz TVRBRISEFBFNLF-GHMZBOCLSA-N -1 3 272.308 1.066 10 0 CDAEHM CCN(CC(=O)OC)C(=O)c1ccc(C)c(C)c1[O-] ZINC000271247726 191025956 /nfs/dbraw/zinc/02/59/56/191025956.db2.gz IPXFBAVFAVMLIY-UHFFFAOYSA-N -1 3 265.309 1.644 10 0 CDAEHM C[C@@H](CNC(=O)CC[C@@H]1NC(=O)[N-]C1=O)C1CCCCC1 ZINC000620371858 350154387 /nfs/dbraw/zinc/15/43/87/350154387.db2.gz MSWYIYYJHNJZFA-JQWIXIFHSA-N -1 3 295.383 1.307 10 0 CDAEHM COC(=O)C[C@@H](C(=O)OC)c1ccc([O-])c(C=O)c1 ZINC000091302012 180129302 /nfs/dbraw/zinc/12/93/02/180129302.db2.gz NNGPVAKFXRCNGV-SNVBAGLBSA-N -1 3 266.249 1.024 10 0 CDAEHM Cc1[n-][nH]c(=NC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1-c1ccccc1 ZINC000621808999 350788202 /nfs/dbraw/zinc/78/82/02/350788202.db2.gz GDSPCCSXSRVBMQ-IMRBUKKESA-N -1 3 283.331 1.638 10 0 CDAEHM O=C(c1cc(F)c[n-]c1=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000621931606 350868234 /nfs/dbraw/zinc/86/82/34/350868234.db2.gz BWHSNLYBTZZMEI-SKDRFNHKSA-N -1 3 280.299 1.567 10 0 CDAEHM O=C(Nc1nnc(SCCO)[n-]1)[C@H]1CCCC2(CC2)C1 ZINC000621915036 350853624 /nfs/dbraw/zinc/85/36/24/350853624.db2.gz PSWCJZPVIBACKJ-VIFPVBQESA-N -1 3 296.396 1.798 10 0 CDAEHM O=C(Nc1nc(SCCO)n[n-]1)[C@H]1CCCC2(CC2)C1 ZINC000621915036 350853627 /nfs/dbraw/zinc/85/36/27/350853627.db2.gz PSWCJZPVIBACKJ-VIFPVBQESA-N -1 3 296.396 1.798 10 0 CDAEHM O=C(Nc1n[n-]c(SCCO)n1)[C@H]1CCCC2(CC2)C1 ZINC000621915036 350853629 /nfs/dbraw/zinc/85/36/29/350853629.db2.gz PSWCJZPVIBACKJ-VIFPVBQESA-N -1 3 296.396 1.798 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C[C@H]1O ZINC000621939776 350874881 /nfs/dbraw/zinc/87/48/81/350874881.db2.gz PMMWFAKRCJYMGS-RDDDGLTNSA-N -1 3 289.253 1.864 10 0 CDAEHM CC(C)(C)n1nnc(C(=O)[N-]c2cc(F)ccn2)n1 ZINC000622151199 351038218 /nfs/dbraw/zinc/03/82/18/351038218.db2.gz AGFFGJPLXUMQSW-UHFFFAOYSA-N -1 3 264.264 1.215 10 0 CDAEHM COCC1(C2CCC2)CN(C(=O)c2cc(F)c[n-]c2=O)C1 ZINC000622155444 351041469 /nfs/dbraw/zinc/04/14/69/351041469.db2.gz IMUMBIDXRVJNKC-UHFFFAOYSA-N -1 3 294.326 1.815 10 0 CDAEHM O=C(NCC[C@@H]1CC1(F)F)c1c([O-])cccc1O ZINC000622198724 351067302 /nfs/dbraw/zinc/06/73/02/351067302.db2.gz HFTKEFDYNLOVPF-SSDOTTSWSA-N -1 3 257.236 1.873 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1ncoc1-c1ccon1 ZINC000622570443 351216433 /nfs/dbraw/zinc/21/64/33/351216433.db2.gz FEVWRVGLQGABOE-UHFFFAOYSA-N -1 3 286.247 1.360 10 0 CDAEHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1ccc(C)o1)OC ZINC000451678840 363067092 /nfs/dbraw/zinc/06/70/92/363067092.db2.gz ISYFHPBCCLOPAN-KOLCDFICSA-N -1 3 275.370 1.927 10 0 CDAEHM CCc1cc(C(=O)N2CCN(CCO)[C@H](C)C2)ccc1[O-] ZINC000487460812 366057444 /nfs/dbraw/zinc/05/74/44/366057444.db2.gz KZIHVOVMMFDHFU-GFCCVEGCSA-N -1 3 292.379 1.093 10 0 CDAEHM CO[C@H](C)[C@@H](C)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000291914367 198103945 /nfs/dbraw/zinc/10/39/45/198103945.db2.gz TUSUZGQZQYRAEF-RNFRBKRXSA-N -1 3 266.276 1.250 10 0 CDAEHM CO[C@H](C)[C@@H](C)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000291914367 198103946 /nfs/dbraw/zinc/10/39/46/198103946.db2.gz TUSUZGQZQYRAEF-RNFRBKRXSA-N -1 3 266.276 1.250 10 0 CDAEHM CO[C@H](C)[C@@H](C)NC(=O)c1cc(F)cc2n[n-]nc21 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CC(C)n1cc(C[S@](=O)c2cccc([O-])c2)nn1 ZINC000427473052 247149044 /nfs/dbraw/zinc/14/90/44/247149044.db2.gz UJEOLQKUOGFJCH-SFHVURJKSA-N -1 3 265.338 1.872 10 0 CDAEHM Cc1cnc(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)c([O-])c1 ZINC000428019236 247230379 /nfs/dbraw/zinc/23/03/79/247230379.db2.gz ACWJLJGQXQMFKG-WDEREUQCSA-N -1 3 263.341 1.260 10 0 CDAEHM CCn1nnc(C)c1CNC(=O)c1c(C)cccc1[O-] ZINC000627867776 375810355 /nfs/dbraw/zinc/81/03/55/375810355.db2.gz IXYSPDOQBDJHBM-UHFFFAOYSA-N -1 3 274.324 1.550 10 0 CDAEHM C[C@@H]([N-]C(=O)C(F)F)c1cn(-c2ccccc2)nn1 ZINC000194751432 375960302 /nfs/dbraw/zinc/96/03/02/375960302.db2.gz IBNWVKONMFLMAS-MRVPVSSYSA-N -1 3 266.251 1.710 10 0 CDAEHM CNC(=O)CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000330418148 376108615 /nfs/dbraw/zinc/10/86/15/376108615.db2.gz XYJYSXVOMLCQIM-UHFFFAOYSA-N -1 3 264.325 1.764 10 0 CDAEHM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000631747834 376538852 /nfs/dbraw/zinc/53/88/52/376538852.db2.gz RNOJOOFSLWTCJJ-RQJHMYQMSA-N -1 3 297.302 1.373 10 0 CDAEHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2c[nH]c(=O)s2)C1 ZINC000631789421 376596877 /nfs/dbraw/zinc/59/68/77/376596877.db2.gz PGQARESZHVICKF-DTWKUNHWSA-N -1 3 290.410 1.953 10 0 CDAEHM O=c1[nH]cc(S(=O)(=O)[N-]C2CCSCC2)s1 ZINC000631866282 376747690 /nfs/dbraw/zinc/74/76/90/376747690.db2.gz WNHGAVBTVIURKL-UHFFFAOYSA-N -1 3 280.396 1.023 10 0 CDAEHM COC(=O)c1[n-]c(=NCc2cccc(CO)c2)sc1C ZINC000434084519 248075579 /nfs/dbraw/zinc/07/55/79/248075579.db2.gz JMAWBYROUMBFNG-UHFFFAOYSA-N -1 3 292.360 1.764 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@@H](C)[C@H](C)CO)sc1C ZINC000434099840 248077190 /nfs/dbraw/zinc/07/71/90/248077190.db2.gz MBFJDBCFULEEBW-RQJHMYQMSA-N -1 3 258.343 1.089 10 0 CDAEHM CN(C)c1nc(C(=O)Nc2cccc(F)c2F)cc(=O)[n-]1 ZINC000434125021 248078774 /nfs/dbraw/zinc/07/87/74/248078774.db2.gz RBCINARRMRWKTH-UHFFFAOYSA-N -1 3 294.261 1.779 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@H]2C[C@@H](O)C2(C)C)sc1C ZINC000433784387 248054086 /nfs/dbraw/zinc/05/40/86/248054086.db2.gz CZFYPEXPJAEJAE-JGVFFNPUSA-N -1 3 270.354 1.231 10 0 CDAEHM COCCN(C(=O)c1cccc(C)c1[O-])[C@H]1CCOC1 ZINC000331246313 376799291 /nfs/dbraw/zinc/79/92/91/376799291.db2.gz UVQOSRXKEYJHMF-LBPRGKRZSA-N -1 3 279.336 1.578 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)Cc2ccccc2)o1 ZINC000344827980 376893210 /nfs/dbraw/zinc/89/32/10/376893210.db2.gz MKKIYAGIHLYWIV-ZDUSSCGKSA-N -1 3 295.360 1.470 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H](CO)C(C)C)o1 ZINC000344850280 376917882 /nfs/dbraw/zinc/91/78/82/376917882.db2.gz IZLOZWPXNFDBFV-SNVBAGLBSA-N -1 3 261.343 1.131 10 0 CDAEHM Cn1[n-]c(CN2C[C@H](c3ccccc3)C3(CCC3)C2)nc1=O ZINC000334638091 376947393 /nfs/dbraw/zinc/94/73/93/376947393.db2.gz NICXIYYLZGACHA-CQSZACIVSA-N -1 3 298.390 1.878 10 0 CDAEHM COc1nnc(NC(=O)c2cc(Cl)cc(OC)c2)[n-]1 ZINC000344866744 376965948 /nfs/dbraw/zinc/96/59/48/376965948.db2.gz VLXBCCWRDTUXJL-UHFFFAOYSA-N -1 3 282.687 1.728 10 0 CDAEHM COc1nc(NC(=O)c2cc(Cl)cc(OC)c2)n[n-]1 ZINC000344866744 376965956 /nfs/dbraw/zinc/96/59/56/376965956.db2.gz VLXBCCWRDTUXJL-UHFFFAOYSA-N -1 3 282.687 1.728 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cc(Cl)cc(OC)c2)n1 ZINC000344866744 376965960 /nfs/dbraw/zinc/96/59/60/376965960.db2.gz VLXBCCWRDTUXJL-UHFFFAOYSA-N -1 3 282.687 1.728 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000272775942 296253131 /nfs/dbraw/zinc/25/31/31/296253131.db2.gz UAHDZTSDJGVIIR-GHMZBOCLSA-N -1 3 289.253 1.920 10 0 CDAEHM O=c1[nH]cc(S(=O)(=O)[N-]C2Cc3ccccc3C2)s1 ZINC000632212929 377140017 /nfs/dbraw/zinc/14/00/17/377140017.db2.gz HXDPYJLFDHFFBG-UHFFFAOYSA-N -1 3 296.373 1.294 10 0 CDAEHM Cc1ccc(NC(=O)c2cccn(C)c2=O)cc1C(=N)[O-] ZINC000334683529 377180048 /nfs/dbraw/zinc/18/00/48/377180048.db2.gz DSIFSXXTNDDBHT-UHFFFAOYSA-N -1 3 285.303 1.829 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1cc(Cl)c[nH]1 ZINC000334685426 377184551 /nfs/dbraw/zinc/18/45/51/377184551.db2.gz HHWNQNJIQODHPS-UHFFFAOYSA-N -1 3 251.673 1.699 10 0 CDAEHM Cc1noc(C[N-]S(=O)(=O)C2CCC(C)CC2)n1 ZINC000632267482 377212757 /nfs/dbraw/zinc/21/27/57/377212757.db2.gz GPZYKUGUXDGWHQ-UHFFFAOYSA-N -1 3 273.358 1.376 10 0 CDAEHM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2c[nH]c(=O)s2)C1 ZINC000632295933 377258563 /nfs/dbraw/zinc/25/85/63/377258563.db2.gz ZFHOCGLBVMCFFA-YUMQZZPRSA-N -1 3 276.383 1.563 10 0 CDAEHM O=c1[nH]cc(S(=O)(=O)[N-]CC2=CCCCC2)s1 ZINC000632379223 377365277 /nfs/dbraw/zinc/36/52/77/377365277.db2.gz NDMXRJCYVDLBMN-UHFFFAOYSA-N -1 3 274.367 1.627 10 0 CDAEHM CC1(C2([N-]S(=O)(=O)c3c[nH]c(=O)s3)CC2)CC1 ZINC000632422001 377426358 /nfs/dbraw/zinc/42/63/58/377426358.db2.gz YIQKROHSWDPWFV-UHFFFAOYSA-N -1 3 274.367 1.460 10 0 CDAEHM Cc1nocc1S(=O)(=O)[N-]C(C)(C1CC1)C1CC1 ZINC000632569002 377616215 /nfs/dbraw/zinc/61/62/15/377616215.db2.gz WRXCEGBHODXCOC-UHFFFAOYSA-N -1 3 270.354 1.840 10 0 CDAEHM CCc1ccc(C(=O)NC[C@H](CO)C2CC2)c([O-])c1 ZINC000436617812 249435303 /nfs/dbraw/zinc/43/53/03/249435303.db2.gz JMGKMMGTXMBLAK-GFCCVEGCSA-N -1 3 263.337 1.703 10 0 CDAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]CC(C)(C)F)cn21 ZINC000632608015 377664818 /nfs/dbraw/zinc/66/48/18/377664818.db2.gz AVXWRORWKKRIGQ-VIFPVBQESA-N -1 3 289.376 1.807 10 0 CDAEHM C[C@@H]1C[C@H](C(=O)N=c2cc3ccccn3[n-]2)[C@@H](C)O1 ZINC000633020387 378051468 /nfs/dbraw/zinc/05/14/68/378051468.db2.gz UUQIVQNBAFBSQU-FOGDFJRCSA-N -1 3 259.309 1.508 10 0 CDAEHM COc1cccc(C(=O)N[C@@H]2CCCN(C)C2)c1[O-] ZINC000040452247 378089515 /nfs/dbraw/zinc/08/95/15/378089515.db2.gz ZNZLBWOQFCTLEN-SNVBAGLBSA-N -1 3 264.325 1.225 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc3[n-]nnc32)[C@H](C)[C@H](C)O1 ZINC000525873427 378474480 /nfs/dbraw/zinc/47/44/80/378474480.db2.gz HFRXTVXMHKVLKY-BBBLOLIVSA-N -1 3 274.324 1.596 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc3nn[n-]c32)[C@H](C)[C@H](C)O1 ZINC000525873427 378474483 /nfs/dbraw/zinc/47/44/83/378474483.db2.gz HFRXTVXMHKVLKY-BBBLOLIVSA-N -1 3 274.324 1.596 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc3n[n-]nc32)[C@H](C)[C@H](C)O1 ZINC000525873427 378474487 /nfs/dbraw/zinc/47/44/87/378474487.db2.gz HFRXTVXMHKVLKY-BBBLOLIVSA-N -1 3 274.324 1.596 10 0 CDAEHM COc1nnc([N-]C(=O)c2nc(C)sc2C)s1 ZINC000633907818 378859141 /nfs/dbraw/zinc/85/91/41/378859141.db2.gz CKATVFCAZYJVMF-UHFFFAOYSA-N -1 3 270.339 1.872 10 0 CDAEHM Cc1cccc(C(=O)N(C)C[C@H]2CN(C)CCO2)c1[O-] ZINC000633924728 378882855 /nfs/dbraw/zinc/88/28/55/378882855.db2.gz BYEAZFDPPLNJBC-GFCCVEGCSA-N -1 3 278.352 1.103 10 0 CDAEHM CCc1ccc(C(=O)N2C[C@@H](OC)C[C@]2(C)CO)c([O-])c1 ZINC000634072619 379020012 /nfs/dbraw/zinc/02/00/12/379020012.db2.gz KXBOFNOSOCNHCL-BLLLJJGKSA-N -1 3 293.363 1.567 10 0 CDAEHM CCc1ccc(C(=O)N2C[C@H](OC)C[C@]2(C)CO)c([O-])c1 ZINC000634072622 379020474 /nfs/dbraw/zinc/02/04/74/379020474.db2.gz KXBOFNOSOCNHCL-MLGOLLRUSA-N -1 3 293.363 1.567 10 0 CDAEHM CSc1nnc(NC(=O)[C@H]2CCOC[C@@H]2C)[n-]1 ZINC000444138277 250085123 /nfs/dbraw/zinc/08/51/23/250085123.db2.gz GYMPDACLVKYWPL-BQBZGAKWSA-N -1 3 256.331 1.138 10 0 CDAEHM CSc1n[n-]c(NC(=O)[C@H]2CCOC[C@@H]2C)n1 ZINC000444138277 250085125 /nfs/dbraw/zinc/08/51/25/250085125.db2.gz GYMPDACLVKYWPL-BQBZGAKWSA-N -1 3 256.331 1.138 10 0 CDAEHM CSc1nc(NC(=O)[C@H]2CCOC[C@@H]2C)n[n-]1 ZINC000444138277 250085127 /nfs/dbraw/zinc/08/51/27/250085127.db2.gz GYMPDACLVKYWPL-BQBZGAKWSA-N -1 3 256.331 1.138 10 0 CDAEHM O=c1sccn1Cc1noc(-c2ccccc2[O-])n1 ZINC000446974256 250330216 /nfs/dbraw/zinc/33/02/16/250330216.db2.gz YMBDZQPQAGFOQO-UHFFFAOYSA-N -1 3 275.289 1.714 10 0 CDAEHM CC[C@@H](O)CC(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000450609667 251365473 /nfs/dbraw/zinc/36/54/73/251365473.db2.gz FPTQFPKANOYZAM-LLVKDONJSA-N -1 3 273.336 1.907 10 0 CDAEHM CC[C@H](NC(=O)c1ccc2n[n-]nc2c1)[C@@H](O)C(F)F ZINC000452501151 252080067 /nfs/dbraw/zinc/08/00/67/252080067.db2.gz NHIYMHBEPCAYQD-OIBJUYFYSA-N -1 3 284.266 1.092 10 0 CDAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCC1(C)CC1 ZINC000280524540 194869313 /nfs/dbraw/zinc/86/93/13/194869313.db2.gz RCYOQFMHANFPOC-UHFFFAOYSA-N -1 3 291.804 1.850 10 0 CDAEHM COc1nnc(NC(=O)CCn2cnc3ccccc32)[n-]1 ZINC000158170267 533184654 /nfs/dbraw/zinc/18/46/54/533184654.db2.gz OLWDFVBWFSQQOD-UHFFFAOYSA-N -1 3 286.295 1.192 10 0 CDAEHM COc1nc(NC(=O)CCn2cnc3ccccc32)n[n-]1 ZINC000158170267 533184657 /nfs/dbraw/zinc/18/46/57/533184657.db2.gz OLWDFVBWFSQQOD-UHFFFAOYSA-N -1 3 286.295 1.192 10 0 CDAEHM COc1n[n-]c(NC(=O)CCn2cnc3ccccc32)n1 ZINC000158170267 533184663 /nfs/dbraw/zinc/18/46/63/533184663.db2.gz OLWDFVBWFSQQOD-UHFFFAOYSA-N -1 3 286.295 1.192 10 0 CDAEHM COC(=O)Cc1n[n-]c(NC(=O)c2ccoc2C2CC2)n1 ZINC000281326573 195198195 /nfs/dbraw/zinc/19/81/95/195198195.db2.gz RTABRSRJPSEOIP-UHFFFAOYSA-N -1 3 290.279 1.243 10 0 CDAEHM COC(=O)Cc1nnc(NC(=O)c2ccoc2C2CC2)[n-]1 ZINC000281326573 195198197 /nfs/dbraw/zinc/19/81/97/195198197.db2.gz RTABRSRJPSEOIP-UHFFFAOYSA-N -1 3 290.279 1.243 10 0 CDAEHM COC(=O)Cc1nc(NC(=O)c2ccoc2C2CC2)n[n-]1 ZINC000281326573 195198198 /nfs/dbraw/zinc/19/81/98/195198198.db2.gz RTABRSRJPSEOIP-UHFFFAOYSA-N -1 3 290.279 1.243 10 0 CDAEHM CC(=O)N[C@H](CN[C@H](C)c1cccc(Cl)c1)C(=O)[O-] ZINC000081126973 177775861 /nfs/dbraw/zinc/77/58/61/177775861.db2.gz IMAKMKPCAQCQEY-PRHODGIISA-N -1 3 284.743 1.580 10 0 CDAEHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2cn(CC3CC3)nn2)C1 ZINC000568072878 390436296 /nfs/dbraw/zinc/43/62/96/390436296.db2.gz OVKYKSDEBOASSZ-OAHLLOKOSA-N -1 3 292.383 1.621 10 0 CDAEHM COc1cc(=NC(=O)[C@H]2CCCC[C@H]2C)[n-]n1C ZINC000574151187 390803902 /nfs/dbraw/zinc/80/39/02/390803902.db2.gz OYFWXENGSNLCAV-ZJUUUORDSA-N -1 3 251.330 1.615 10 0 CDAEHM C[C@H](F)CCN=c1cc(NCC[C@H](C)F)n2[n-]cnc2n1 ZINC000338751659 390944041 /nfs/dbraw/zinc/94/40/41/390944041.db2.gz OVEGFNMUJIZLPQ-UWVGGRQHSA-N -1 3 298.341 1.866 10 0 CDAEHM CC(C)C[C@@H](CN(C)C)NC(=O)NCCCCC(=O)[O-] ZINC000070200771 413048130 /nfs/dbraw/zinc/04/81/30/413048130.db2.gz JGIBIYLUHCQHDF-LBPRGKRZSA-N -1 3 287.404 1.517 10 0 CDAEHM COc1cc(=NC(=O)C[C@H]2CCC[C@@H](OC)C2)[n-]n1C ZINC000527259030 391017997 /nfs/dbraw/zinc/01/79/97/391017997.db2.gz OZOUYHPJHJXWLJ-WDEREUQCSA-N -1 3 281.356 1.384 10 0 CDAEHM COc1ccc(C(=O)N2CCCC[C@H](CO)C2)c([O-])c1 ZINC000367536609 390991248 /nfs/dbraw/zinc/99/12/48/390991248.db2.gz VZUGIHCWGIIEAR-NSHDSACASA-N -1 3 279.336 1.635 10 0 CDAEHM CCC(CC)(CN)NC(=O)N=c1ccc(OC(C)C)n[n-]1 ZINC000415546364 391163714 /nfs/dbraw/zinc/16/37/14/391163714.db2.gz MVICYCXCUOHBEP-UHFFFAOYSA-N -1 3 295.387 1.325 10 0 CDAEHM C[C@]1(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)CCCO1 ZINC000526959271 391235625 /nfs/dbraw/zinc/23/56/25/391235625.db2.gz CLPIRTXFGRFFAT-ZWNOBZJWSA-N -1 3 265.313 1.191 10 0 CDAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@@H]1CCCOCC1 ZINC000526961017 391236677 /nfs/dbraw/zinc/23/66/77/391236677.db2.gz ZBPPHCVIHLWUGU-ZYHUDNBSSA-N -1 3 279.340 1.438 10 0 CDAEHM CO[C@@H]1CCC[C@@H]1Sc1nnc2[n-]c(=O)c(C)nn21 ZINC000273102643 391320871 /nfs/dbraw/zinc/32/08/71/391320871.db2.gz LGGDYBNIUSFGRY-SFYZADRCSA-N -1 3 281.341 1.193 10 0 CDAEHM CN(C)[C@@H](CN=c1[n-]c(C2CCOCC2)no1)C1CC1 ZINC000515513946 391781875 /nfs/dbraw/zinc/78/18/75/391781875.db2.gz SGWZKXJDFSGKQJ-LBPRGKRZSA-N -1 3 280.372 1.138 10 0 CDAEHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000342077202 130240283 /nfs/dbraw/zinc/24/02/83/130240283.db2.gz OUIBGEIBNNVKGK-ZJUUUORDSA-N -1 3 275.374 1.166 10 0 CDAEHM O=C(NCc1nnc(C(F)(F)F)[n-]1)[C@H]1CCC[C@H](F)C1 ZINC000424767337 391784148 /nfs/dbraw/zinc/78/41/48/391784148.db2.gz GMSWCZNYHAHFEA-BQBZGAKWSA-N -1 3 294.252 1.968 10 0 CDAEHM O=C(NCc1n[n-]c(C(F)(F)F)n1)[C@H]1CCC[C@H](F)C1 ZINC000424767337 391784150 /nfs/dbraw/zinc/78/41/50/391784150.db2.gz GMSWCZNYHAHFEA-BQBZGAKWSA-N -1 3 294.252 1.968 10 0 CDAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1CCC[C@H](F)C1 ZINC000424767337 391784154 /nfs/dbraw/zinc/78/41/54/391784154.db2.gz GMSWCZNYHAHFEA-BQBZGAKWSA-N -1 3 294.252 1.968 10 0 CDAEHM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cc(F)cc2nn[n-]c21 ZINC000333385976 391867566 /nfs/dbraw/zinc/86/75/66/391867566.db2.gz CEZIXIGLGVYPMK-SRSLHRDFSA-N -1 3 260.272 1.625 10 0 CDAEHM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cc(F)cc2[n-]nnc21 ZINC000333385976 391867572 /nfs/dbraw/zinc/86/75/72/391867572.db2.gz CEZIXIGLGVYPMK-SRSLHRDFSA-N -1 3 260.272 1.625 10 0 CDAEHM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cc(F)cc2n[n-]nc21 ZINC000333385976 391867577 /nfs/dbraw/zinc/86/75/77/391867577.db2.gz CEZIXIGLGVYPMK-SRSLHRDFSA-N -1 3 260.272 1.625 10 0 CDAEHM O=C(COCC1CC1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000525966882 392007644 /nfs/dbraw/zinc/00/76/44/392007644.db2.gz BGTSUXCCDPHNCR-NSHDSACASA-N -1 3 265.313 1.048 10 0 CDAEHM CCCn1c(=O)[n-]nc1S[C@H](C)c1nc(C)no1 ZINC000025856730 391954281 /nfs/dbraw/zinc/95/42/81/391954281.db2.gz PPKVIFNMPKISIY-ZCFIWIBFSA-N -1 3 269.330 1.938 10 0 CDAEHM CCc1cc(=NC(=O)c2nn(C)c3c2CCCC3)[n-]o1 ZINC000648958801 392232344 /nfs/dbraw/zinc/23/23/44/392232344.db2.gz LJYRGDAHMSIYBH-UHFFFAOYSA-N -1 3 274.324 1.524 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)N=c1cc2ccccn2[n-]1 ZINC000529092098 392248243 /nfs/dbraw/zinc/24/82/43/392248243.db2.gz JOFAKOUBPZEKNU-KZWBYHQPSA-N -1 3 288.351 1.690 10 0 CDAEHM Cn1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](OC(C)(C)C)C2)n1 ZINC000645841857 392252250 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CC[S@@](C)(=O)=NS(=O)(=O)[N-]CCC(C)(C)C ZINC000866483248 783620214 /nfs/dbraw/zinc/62/02/14/783620214.db2.gz FVUSXHYKVISEKP-OAHLLOKOSA-N -1 3 270.420 1.375 10 0 CDAEHM CN(C[C@H]1CCCO1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436715051 783661462 /nfs/dbraw/zinc/66/14/62/783661462.db2.gz HNDIVSXPBQMHIS-SECBINFHSA-N -1 3 279.292 1.372 10 0 CDAEHM CCOc1nnc(NC(=O)c2ccccc2COC)[n-]1 ZINC000228774392 783874563 /nfs/dbraw/zinc/87/45/63/783874563.db2.gz KQMLAVZGOMPBHT-UHFFFAOYSA-N -1 3 276.296 1.602 10 0 CDAEHM CCOc1nc(NC(=O)c2ccccc2COC)n[n-]1 ZINC000228774392 783874566 /nfs/dbraw/zinc/87/45/66/783874566.db2.gz KQMLAVZGOMPBHT-UHFFFAOYSA-N -1 3 276.296 1.602 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2ccccc2COC)n1 ZINC000228774392 783874567 /nfs/dbraw/zinc/87/45/67/783874567.db2.gz KQMLAVZGOMPBHT-UHFFFAOYSA-N -1 3 276.296 1.602 10 0 CDAEHM CC[C@@H]1CCN(c2nc([O-])c(CC(=O)NC3CC3)s2)C1 ZINC000864345592 783945481 /nfs/dbraw/zinc/94/54/81/783945481.db2.gz ZVMGAXGMYWIRNP-KOLCDFICSA-N -1 3 295.408 1.385 10 0 CDAEHM CO[C@@H](C(=O)Nc1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000867007505 784114446 /nfs/dbraw/zinc/11/44/46/784114446.db2.gz ZPCAGAOOAOCEKQ-NSHDSACASA-N -1 3 299.298 1.827 10 0 CDAEHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1CC12CC2 ZINC000817232182 784142307 /nfs/dbraw/zinc/14/23/07/784142307.db2.gz DMTJJMHTJLHCHO-JTQLQIEISA-N -1 3 260.293 1.903 10 0 CDAEHM O=C(NN=c1cccn[n-]1)N[C@H]1C[C@H]1c1ccccc1 ZINC000077349754 784642291 /nfs/dbraw/zinc/64/22/91/784642291.db2.gz YHUARLJCLKIRQX-RYUDHWBXSA-N -1 3 269.308 1.659 10 0 CDAEHM O=C([N-][C@H](CO)CCc1ccccc1)C(F)(F)C(F)F ZINC000928257567 784732147 /nfs/dbraw/zinc/73/21/47/784732147.db2.gz KATZBEODTRRIOJ-JTQLQIEISA-N -1 3 293.260 1.997 10 0 CDAEHM CCc1cccc(C(=O)NNC(=O)c2ccoc2)c1[O-] ZINC000081777117 785084080 /nfs/dbraw/zinc/08/40/80/785084080.db2.gz GKZWDBZHYWTKRA-UHFFFAOYSA-N -1 3 274.276 1.622 10 0 CDAEHM CC([N-]S(=O)(=O)N=S(C)(C)=O)(C1CC1)C1CC1 ZINC000867529895 785089850 /nfs/dbraw/zinc/08/98/50/785089850.db2.gz PDNGMAOTBSGZSU-UHFFFAOYSA-N -1 3 280.415 1.127 10 0 CDAEHM COC(=O)C1(COC(=O)c2cccc3nn[n-]c32)CC1 ZINC000837654553 785393526 /nfs/dbraw/zinc/39/35/26/785393526.db2.gz JUUWAULNTDQABG-UHFFFAOYSA-N -1 3 275.264 1.068 10 0 CDAEHM COC(=O)C1(COC(=O)c2cccc3[n-]nnc32)CC1 ZINC000837654553 785393534 /nfs/dbraw/zinc/39/35/34/785393534.db2.gz JUUWAULNTDQABG-UHFFFAOYSA-N -1 3 275.264 1.068 10 0 CDAEHM COC(=O)C1(COC(=O)c2cccc3n[n-]nc32)CC1 ZINC000837654553 785393543 /nfs/dbraw/zinc/39/35/43/785393543.db2.gz JUUWAULNTDQABG-UHFFFAOYSA-N -1 3 275.264 1.068 10 0 CDAEHM CCN(Cc1nc(C)cc(=O)[n-]1)C(C)(C)C(=O)OC ZINC000933192482 785784923 /nfs/dbraw/zinc/78/49/23/785784923.db2.gz AMOYZVLBARMACX-UHFFFAOYSA-N -1 3 267.329 1.264 10 0 CDAEHM O=C1[N-]C(=O)/C(=C\NCC[C@@H]2CCOC2)c2ccccc21 ZINC000783687977 785798080 /nfs/dbraw/zinc/79/80/80/785798080.db2.gz RVVGBOHHNQYVHE-RLIURORJSA-N -1 3 286.331 1.314 10 0 CDAEHM O=C(c1cc2c(cc1[O-])OCO2)N1CC[C@@]2(CC2(F)F)C1 ZINC000846622983 785891229 /nfs/dbraw/zinc/89/12/29/785891229.db2.gz ZJXRSNNKGNZWPI-CYBMUJFWSA-N -1 3 297.257 1.992 10 0 CDAEHM COC[C@H](Cn1cc(Cl)c(=O)[n-]c1=O)C(C)C ZINC000721722755 786034440 /nfs/dbraw/zinc/03/44/40/786034440.db2.gz DCRFQIMHVPFFSW-QMMMGPOBSA-N -1 3 260.721 1.521 10 0 CDAEHM O=C(c1cc2c(cc1[O-])OCO2)N1CCN(C2CC2)CC1 ZINC000127712897 786040412 /nfs/dbraw/zinc/04/04/12/786040412.db2.gz LYJNXOYRTRTGCN-UHFFFAOYSA-N -1 3 290.319 1.041 10 0 CDAEHM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](C)CC1CCC1 ZINC000867673634 786208559 /nfs/dbraw/zinc/20/85/59/786208559.db2.gz GTNBTZDLZWWWAL-JTQLQIEISA-N -1 3 296.458 1.907 10 0 CDAEHM CSCCO[N-]C(=O)[C@H]1C[C@@]1(C)Br ZINC000861471091 786245129 /nfs/dbraw/zinc/24/51/29/786245129.db2.gz RGARJLRZIODCTB-HTRCEHHLSA-N -1 3 268.176 1.571 10 0 CDAEHM Cc1nc(C)c(CC(=O)N2CCC[C@H](CCF)C2)c(=O)[n-]1 ZINC000855825629 786247425 /nfs/dbraw/zinc/24/74/25/786247425.db2.gz RYXPMSUKUKWOGG-GFCCVEGCSA-N -1 3 295.358 1.940 10 0 CDAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C1(C2CCC2)CC1 ZINC000867463959 786298739 /nfs/dbraw/zinc/29/87/39/786298739.db2.gz UZCHSCFNCBDVHD-MRXNPFEDSA-N -1 3 280.415 1.271 10 0 CDAEHM COc1nnc(NC(=O)C=C(C)c2cccc(OC)c2)[n-]1 ZINC000255144490 786425741 /nfs/dbraw/zinc/42/57/41/786425741.db2.gz OBFPNBRXAVXCNP-CLFYSBASSA-N -1 3 288.307 1.864 10 0 CDAEHM COc1nc(NC(=O)C=C(C)c2cccc(OC)c2)n[n-]1 ZINC000255144490 786425785 /nfs/dbraw/zinc/42/57/85/786425785.db2.gz OBFPNBRXAVXCNP-CLFYSBASSA-N -1 3 288.307 1.864 10 0 CDAEHM COc1n[n-]c(NC(=O)C=C(C)c2cccc(OC)c2)n1 ZINC000255144490 786425813 /nfs/dbraw/zinc/42/58/13/786425813.db2.gz OBFPNBRXAVXCNP-CLFYSBASSA-N -1 3 288.307 1.864 10 0 CDAEHM O=C(C[C@H](O)Cc1ccccc1)[N-]OCC(F)F ZINC000813516980 786527255 /nfs/dbraw/zinc/52/72/55/786527255.db2.gz JELNIXWTQSZWNW-SNVBAGLBSA-N -1 3 259.252 1.293 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCO[C@@H](C(F)F)CC2)n1 ZINC000872271729 786528501 /nfs/dbraw/zinc/52/85/01/786528501.db2.gz UWHFULZTHWMPLL-SECBINFHSA-N -1 3 273.283 1.347 10 0 CDAEHM C[NH+](C)CCO[N-]C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000379193368 786612239 /nfs/dbraw/zinc/61/22/39/786612239.db2.gz WITCZVSMNCOWDV-UHFFFAOYSA-N -1 3 272.345 1.021 10 0 CDAEHM O=C([N-]C[C@H](n1cccn1)C(F)(F)F)C(F)F ZINC000862405842 786700117 /nfs/dbraw/zinc/70/01/17/786700117.db2.gz IRWNKSQKFVCYAR-YFKPBYRVSA-N -1 3 257.162 1.368 10 0 CDAEHM CN(C)c1cnccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000801923856 786750774 /nfs/dbraw/zinc/75/07/74/786750774.db2.gz NXBUGPKYLKRFBJ-GFCCVEGCSA-N -1 3 280.328 1.149 10 0 CDAEHM CC1(C)OCC[C@@H]1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000452947321 786864148 /nfs/dbraw/zinc/86/41/48/786864148.db2.gz QUJHWRGEBYSRFQ-LBPRGKRZSA-N -1 3 279.292 1.418 10 0 CDAEHM C[C@@H](NCc1cn(C)nn1)c1cc([O-])cc(F)c1 ZINC000926126863 786874376 /nfs/dbraw/zinc/87/43/76/786874376.db2.gz NHCMCUHWDXNNEH-MRVPVSSYSA-N -1 3 250.277 1.511 10 0 CDAEHM O=C(c1cc([O-])ccc1Cl)N1CC=C[C@@H]1CO ZINC000922279298 787030621 /nfs/dbraw/zinc/03/06/21/787030621.db2.gz VEBJWBBBSWBDKZ-MRVPVSSYSA-N -1 3 253.685 1.419 10 0 CDAEHM C[C@@H]1[C@H](C)NCCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000871669448 787068005 /nfs/dbraw/zinc/06/80/05/787068005.db2.gz NNDDIMMHWDGDRC-RRAVTNDYSA-N -1 3 278.308 1.200 10 0 CDAEHM CCOC(=O)[C@H](CC1CC1)NCc1nc(C)cc(=O)[n-]1 ZINC000879979782 787701539 /nfs/dbraw/zinc/70/15/39/787701539.db2.gz CNTUKGPBUXXXQN-NSHDSACASA-N -1 3 279.340 1.312 10 0 CDAEHM C[C@H](C(=O)C(C)(C)C)n1cc(Cl)c(=O)[n-]c1=O ZINC000865359278 787722241 /nfs/dbraw/zinc/72/22/41/787722241.db2.gz XMJWCCYYQIWRNC-ZCFIWIBFSA-N -1 3 258.705 1.779 10 0 CDAEHM CO[C@H]1CCCN(NC(=O)c2cc(SC)ccc2[O-])C1 ZINC000928424436 787839873 /nfs/dbraw/zinc/83/98/73/787839873.db2.gz UZTPYSTWPZPWMU-JTQLQIEISA-N -1 3 296.392 1.870 10 0 CDAEHM CO[C@]1(C(=O)[O-])CCN(Cc2cnc3ccc(C)cn23)C1 ZINC000859820822 787885620 /nfs/dbraw/zinc/88/56/20/787885620.db2.gz YODCDROBMUAXPE-OAHLLOKOSA-N -1 3 289.335 1.318 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-]Cc2cccnc2F)s1 ZINC000795267672 788046193 /nfs/dbraw/zinc/04/61/93/788046193.db2.gz IZJRJGFHCZTSDL-UHFFFAOYSA-N -1 3 287.341 1.464 10 0 CDAEHM CN1CCC[C@H]1CNC(=O)c1cccc(Cl)c1[O-] ZINC000775739342 788058993 /nfs/dbraw/zinc/05/89/93/788058993.db2.gz CUQJFGKFKYHXBX-VIFPVBQESA-N -1 3 268.744 1.870 10 0 CDAEHM C[C@H]1CCN(CCOc2ccccc2C(=O)[O-])CCO1 ZINC000720448151 788069278 /nfs/dbraw/zinc/06/92/78/788069278.db2.gz WXJRSUUDFNFNBV-LBPRGKRZSA-N -1 3 279.336 1.874 10 0 CDAEHM CO[C@H]1COCC[C@H]1CC(=O)[N-]OCCC(F)(F)F ZINC000829058764 788131405 /nfs/dbraw/zinc/13/14/05/788131405.db2.gz LJQMSNWUOLWVEG-IUCAKERBSA-N -1 3 285.262 1.428 10 0 CDAEHM C[C@@H]1COCC[C@H]1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436950926 788291370 /nfs/dbraw/zinc/29/13/70/788291370.db2.gz QKJVWDXWJVAGIH-PSASIEDQSA-N -1 3 279.292 1.276 10 0 CDAEHM CCc1cccc(C(=O)N2CC(n3ccnn3)C2)c1[O-] ZINC000779553313 788294777 /nfs/dbraw/zinc/29/47/77/788294777.db2.gz WKACNRGPTPNSDL-UHFFFAOYSA-N -1 3 272.308 1.243 10 0 CDAEHM CCC/C=C\COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000813911170 788509539 /nfs/dbraw/zinc/50/95/39/788509539.db2.gz ZETJFSPFIDEJMH-TYBABMIJSA-N -1 3 291.413 1.850 10 0 CDAEHM CCOC(=O)C(C)(C)ON=C([O-])Nc1c(C)cnn1C ZINC000824415351 788524008 /nfs/dbraw/zinc/52/40/08/788524008.db2.gz GIQBBQNBKLBTKW-UHFFFAOYSA-N -1 3 284.316 1.123 10 0 CDAEHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1c(C)cnn1C ZINC000824415351 788524022 /nfs/dbraw/zinc/52/40/22/788524022.db2.gz GIQBBQNBKLBTKW-UHFFFAOYSA-N -1 3 284.316 1.123 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC2(C3CC3)CC2)nn1 ZINC000867002751 788578161 /nfs/dbraw/zinc/57/81/61/788578161.db2.gz VJQDACWTAZJTSW-UHFFFAOYSA-N -1 3 267.354 1.254 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1cccc(C(=O)[O-])n1 ZINC000701033740 788658166 /nfs/dbraw/zinc/65/81/66/788658166.db2.gz LUUOOZILCLRJCV-QISWUMQESA-N -1 3 264.325 1.681 10 0 CDAEHM O=C(C[N-]C(=O)C(F)F)C1CCC(F)(F)CC1 ZINC000819578279 788672985 /nfs/dbraw/zinc/67/29/85/788672985.db2.gz DXGBKLMEQKSFBO-UHFFFAOYSA-N -1 3 255.211 1.762 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCC(c3ccon3)CC2)n1 ZINC000852672546 789047407 /nfs/dbraw/zinc/04/74/07/789047407.db2.gz FVQDNSBLRAQFIO-UHFFFAOYSA-N -1 3 274.324 1.858 10 0 CDAEHM C[C@]1(CC[N-]S(=O)(=O)c2c[nH]cn2)C[C@]1(F)Cl ZINC000845983534 789213623 /nfs/dbraw/zinc/21/36/23/789213623.db2.gz UAYMBWKEPAVVOV-DTWKUNHWSA-N -1 3 281.740 1.393 10 0 CDAEHM CSCCO[N-]C(=O)CCc1ccc2c(c1)OCCO2 ZINC000794188383 789325201 /nfs/dbraw/zinc/32/52/01/789325201.db2.gz PJRYEDSZDSFBMB-UHFFFAOYSA-N -1 3 297.376 1.801 10 0 CDAEHM CCOc1nnc(NC(=O)c2ccc3c(c2)CCO3)[n-]1 ZINC000228782245 789349082 /nfs/dbraw/zinc/34/90/82/789349082.db2.gz QLUDRAASPOADPR-UHFFFAOYSA-N -1 3 274.280 1.391 10 0 CDAEHM CCOc1nc(NC(=O)c2ccc3c(c2)CCO3)n[n-]1 ZINC000228782245 789349094 /nfs/dbraw/zinc/34/90/94/789349094.db2.gz QLUDRAASPOADPR-UHFFFAOYSA-N -1 3 274.280 1.391 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2ccc3c(c2)CCO3)n1 ZINC000228782245 789349110 /nfs/dbraw/zinc/34/91/10/789349110.db2.gz QLUDRAASPOADPR-UHFFFAOYSA-N -1 3 274.280 1.391 10 0 CDAEHM CCC[C@]1([N-]S(=O)(=O)c2ccc(C)nn2)CCOC1 ZINC000867261032 789391044 /nfs/dbraw/zinc/39/10/44/789391044.db2.gz GQVFZFOAKAZYGH-LBPRGKRZSA-N -1 3 285.369 1.023 10 0 CDAEHM C[C@H](CN1CC[C@](F)(CO)C1)C(=O)c1ccc([O-])cc1 ZINC000930359971 789733596 /nfs/dbraw/zinc/73/35/96/789733596.db2.gz HRPVNDDRMRSSDK-IAQYHMDHSA-N -1 3 281.327 1.617 10 0 CDAEHM Cn1c(COC(=O)c2cncc([O-])c2)nnc1C1CCC1 ZINC000783155060 789762481 /nfs/dbraw/zinc/76/24/81/789762481.db2.gz PASQJDXHVWMMRI-UHFFFAOYSA-N -1 3 288.307 1.540 10 0 CDAEHM CC(C)C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000866381959 789816645 /nfs/dbraw/zinc/81/66/45/789816645.db2.gz WBFHTZQNEXWLEM-KRWDZBQOSA-N -1 3 290.410 1.634 10 0 CDAEHM CC(=O)Nc1ccccc1CC(=O)[N-]OC(C)C ZINC001637694928 1166778211 /nfs/dbraw/zinc/77/82/11/1166778211.db2.gz QNGSCXCGXMVBCD-UHFFFAOYSA-N -1 3 250.298 1.644 10 0 CDAEHM CC/C(=C\C(=O)[N-]OCC(N)=O)c1ccc(OC)cc1 ZINC001566981049 1168488419 /nfs/dbraw/zinc/48/84/19/1168488419.db2.gz YUBAOSZJAWGGMM-CSKARUKUSA-N -1 3 278.308 1.022 10 0 CDAEHM Cc1conc1C[S@@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001647340595 1168589579 /nfs/dbraw/zinc/58/95/79/1168589579.db2.gz CARUMEUHQKEROL-FQEVSTJZSA-N 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MNEWDFYYLUEFET-UHFFFAOYSA-N -1 3 273.292 1.294 10 0 CDAEHM CCC[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)[C@@H](N)[C@@H](C)CC ZINC000104259099 185946979 /nfs/dbraw/zinc/94/69/79/185946979.db2.gz QEMIITYMEFCPBW-NAKRPEOUSA-N -1 3 288.413 1.515 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2CC(C)(CO)C2)cc1[O-] ZINC000615863966 348906104 /nfs/dbraw/zinc/90/61/04/348906104.db2.gz BVPVIQSELQLMCG-UHFFFAOYSA-N -1 3 263.293 1.049 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)NC[C@@H]1CCC[C@H]1O ZINC000074374656 349215200 /nfs/dbraw/zinc/21/52/00/349215200.db2.gz AJGPDVVXHGQYTQ-CMPLNLGQSA-N -1 3 282.315 1.492 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)NCC2CSC2)c1 ZINC000616054444 349271122 /nfs/dbraw/zinc/27/11/22/349271122.db2.gz RIOAEAJLGWMLBX-UHFFFAOYSA-N -1 3 280.349 1.443 10 0 CDAEHM CCN(C(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cccc(Cl)c1 ZINC000271334274 191081554 /nfs/dbraw/zinc/08/15/54/191081554.db2.gz AYYLXVLDCXAYED-JTQLQIEISA-N -1 3 295.726 1.291 10 0 CDAEHM CCN(Cc1cc(=O)n2nc(N)[n-]c2n1)c1ccccc1C ZINC000621264227 350512689 /nfs/dbraw/zinc/51/26/89/350512689.db2.gz XMUJUWTYWVPJNE-UHFFFAOYSA-N -1 3 298.350 1.165 10 0 CDAEHM CC(C)n1cnc(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)c1 ZINC000621303742 350532167 /nfs/dbraw/zinc/53/21/67/350532167.db2.gz NXGOBYVDHQZWOO-VIFPVBQESA-N -1 3 293.339 1.788 10 0 CDAEHM CO[C@@H]1CC[C@@H](C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)C1 ZINC000621811353 350788744 /nfs/dbraw/zinc/78/87/44/350788744.db2.gz QCWCRQYXQDXVRY-VXGBXAGGSA-N -1 3 286.335 1.647 10 0 CDAEHM CO[C@@H](C(=O)[N-]c1onc(C)c1C)[C@@H]1CCOC1 ZINC000621886950 350834331 /nfs/dbraw/zinc/83/43/31/350834331.db2.gz JSMKZWZBZQTQNM-NXEZZACHSA-N -1 3 254.286 1.281 10 0 CDAEHM O=C(Nc1nnc(SCCO)[n-]1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000621915538 350855063 /nfs/dbraw/zinc/85/50/63/350855063.db2.gz GHSXPGHBQSJGEZ-DJLDLDEBSA-N -1 3 282.369 1.264 10 0 CDAEHM O=C(Nc1nc(SCCO)n[n-]1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000621915538 350855067 /nfs/dbraw/zinc/85/50/67/350855067.db2.gz GHSXPGHBQSJGEZ-DJLDLDEBSA-N -1 3 282.369 1.264 10 0 CDAEHM O=C(Nc1n[n-]c(SCCO)n1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000621915538 350855071 /nfs/dbraw/zinc/85/50/71/350855071.db2.gz GHSXPGHBQSJGEZ-DJLDLDEBSA-N -1 3 282.369 1.264 10 0 CDAEHM C[C@@H](CO)N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621936735 350872655 /nfs/dbraw/zinc/87/26/55/350872655.db2.gz MGBBIZFNTWGRIT-ZETCQYMHSA-N -1 3 277.242 1.864 10 0 CDAEHM CC1(C)OCC[C@@H]1CNC(=O)c1cc(F)c[n-]c1=O ZINC000622181676 351057775 /nfs/dbraw/zinc/05/77/75/351057775.db2.gz DUPXCEUUCZXEPV-MRVPVSSYSA-N -1 3 268.288 1.471 10 0 CDAEHM Cc1nc(C)c(CCC(=O)NCC[C@H]2CC2(F)F)c(=O)[n-]1 ZINC000622203875 351069825 /nfs/dbraw/zinc/06/98/25/351069825.db2.gz LGNNEWZPDKIGSO-JTQLQIEISA-N -1 3 299.321 1.893 10 0 CDAEHM COc1cc(F)cc(-c2noc(=NCCN(C)C)[n-]2)c1 ZINC000623789131 351278546 /nfs/dbraw/zinc/27/85/46/351278546.db2.gz FSOGOLZBQAIYBU-UHFFFAOYSA-N -1 3 280.303 1.280 10 0 CDAEHM CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccccc1[O-] ZINC000151207540 363071424 /nfs/dbraw/zinc/07/14/24/363071424.db2.gz HVWKMAPAPLGMFO-LLVKDONJSA-N -1 3 286.335 1.811 10 0 CDAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2CCOC2(C)C)c1 ZINC000451697528 363075144 /nfs/dbraw/zinc/07/51/44/363075144.db2.gz QXGCJVXKEGDNCN-JTQLQIEISA-N -1 3 287.385 1.310 10 0 CDAEHM C[C@H]1N(Cc2ccccc2)CC[C@@]12N[C@@H](C(=O)[O-])CS2 ZINC000307211524 366032433 /nfs/dbraw/zinc/03/24/33/366032433.db2.gz SXTWGDVJJBDNCA-KYOSRNDESA-N -1 3 292.404 1.767 10 0 CDAEHM CC[C@H](C)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291615566 198051316 /nfs/dbraw/zinc/05/13/16/198051316.db2.gz SWGBMZIAJIWQGF-QMMMGPOBSA-N -1 3 277.324 1.567 10 0 CDAEHM O=S(=O)([N-][C@H]1CCCC[C@H]1O)c1cc(F)cc(F)c1 ZINC000052005600 363121313 /nfs/dbraw/zinc/12/13/13/363121313.db2.gz ZKBQYOGCPUXRMD-NWDGAFQWSA-N -1 3 291.319 1.547 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@H](C)c2nccn2CC)c1 ZINC000451934129 363194435 /nfs/dbraw/zinc/19/44/35/363194435.db2.gz VQKDMCCXNIEFAP-SNVBAGLBSA-N -1 3 297.384 1.159 10 0 CDAEHM COc1nnc(NC(=O)COc2ccc(Cl)c(C)c2)[n-]1 ZINC000158172570 188361214 /nfs/dbraw/zinc/36/12/14/188361214.db2.gz BGBSKPVGIKIXHY-UHFFFAOYSA-N -1 3 296.714 1.793 10 0 CDAEHM COc1nc(NC(=O)COc2ccc(Cl)c(C)c2)n[n-]1 ZINC000158172570 188361216 /nfs/dbraw/zinc/36/12/16/188361216.db2.gz BGBSKPVGIKIXHY-UHFFFAOYSA-N -1 3 296.714 1.793 10 0 CDAEHM COc1n[n-]c(NC(=O)COc2ccc(Cl)c(C)c2)n1 ZINC000158172570 188361218 /nfs/dbraw/zinc/36/12/18/188361218.db2.gz BGBSKPVGIKIXHY-UHFFFAOYSA-N -1 3 296.714 1.793 10 0 CDAEHM CCc1cc(C(=O)N[C@@H](CF)C(=O)OC)ccc1[O-] ZINC000292714630 198385913 /nfs/dbraw/zinc/38/59/13/198385913.db2.gz UGOFGQZTOXNRLF-JTQLQIEISA-N -1 3 269.272 1.196 10 0 CDAEHM C[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000158816774 188395380 /nfs/dbraw/zinc/39/53/80/188395380.db2.gz NHVIBERMBCIRFF-JGVFFNPUSA-N -1 3 295.763 1.774 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)[C@H](C)CO ZINC000158818039 188395918 /nfs/dbraw/zinc/39/59/18/188395918.db2.gz RXDDFVZVZLQZSO-HTQZYQBOSA-N -1 3 295.763 1.774 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-]CCC2=CCCC2)cn1C ZINC000159079509 188407128 /nfs/dbraw/zinc/40/71/28/188407128.db2.gz GOMININVJZDKJS-UHFFFAOYSA-N -1 3 269.370 1.507 10 0 CDAEHM Cc1ccc(C(=O)N2CCSC[C@@H]2CCO)c([O-])c1C ZINC000336357207 363434116 /nfs/dbraw/zinc/43/41/16/363434116.db2.gz XTHVZLBONRKFQE-LBPRGKRZSA-N -1 3 295.404 1.949 10 0 CDAEHM O=C([N-]c1cnoc1)c1cccc(OCC(F)F)n1 ZINC000677661753 482742681 /nfs/dbraw/zinc/74/26/81/482742681.db2.gz IJKKYCATIQLPQO-UHFFFAOYSA-N -1 3 269.207 1.966 10 0 CDAEHM CN1CC[C@H]2OCCN(C(=O)c3ccc([O-])cc3F)[C@@H]2C1 ZINC000285695964 283156388 /nfs/dbraw/zinc/15/63/88/283156388.db2.gz IMNNJKJTLHQESD-ZIAGYGMSSA-N -1 3 294.326 1.076 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)o1 ZINC000336386381 363485860 /nfs/dbraw/zinc/48/58/60/363485860.db2.gz KFDAQXJJTULTIA-LLVKDONJSA-N -1 3 285.365 1.968 10 0 CDAEHM COc1nc(NC(=O)C2=CCC(C)(C)CC2)n[n-]1 ZINC000456020964 363502035 /nfs/dbraw/zinc/50/20/35/363502035.db2.gz RHZLLTYJAJJXEY-UHFFFAOYSA-N -1 3 250.302 1.888 10 0 CDAEHM COc1nnc(NC(=O)C2=CCC(C)(C)CC2)[n-]1 ZINC000456020964 363502040 /nfs/dbraw/zinc/50/20/40/363502040.db2.gz RHZLLTYJAJJXEY-UHFFFAOYSA-N -1 3 250.302 1.888 10 0 CDAEHM COc1n[n-]c(NC(=O)C2=CCC(C)(C)CC2)n1 ZINC000456020964 363502047 /nfs/dbraw/zinc/50/20/47/363502047.db2.gz RHZLLTYJAJJXEY-UHFFFAOYSA-N -1 3 250.302 1.888 10 0 CDAEHM CN(C)CCn1[n-]c(-c2ccnn2C)cc1=S ZINC000725257903 538452696 /nfs/dbraw/zinc/45/26/96/538452696.db2.gz ZKJMAXZHZBXISP-UHFFFAOYSA-N -1 3 251.359 1.134 10 0 CDAEHM CC(C)(C)OC(=O)c1nn[n-]c1-c1ccns1 ZINC000725266441 538456988 /nfs/dbraw/zinc/45/69/88/538456988.db2.gz YZRGPHURHPMVAF-UHFFFAOYSA-N -1 3 252.299 1.884 10 0 CDAEHM CC(C)(C)OC(=O)c1[n-]nnc1-c1ccns1 ZINC000725266441 538456990 /nfs/dbraw/zinc/45/69/90/538456990.db2.gz YZRGPHURHPMVAF-UHFFFAOYSA-N -1 3 252.299 1.884 10 0 CDAEHM CO[C@@H]1COCC[C@H]1CNC(=O)c1cccc([O-])c1 ZINC000456095361 363524513 /nfs/dbraw/zinc/52/45/13/363524513.db2.gz KGGFQHYBSILECO-WCQYABFASA-N -1 3 265.309 1.174 10 0 CDAEHM Cc1cc(CS(=O)(=O)[N-][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)no1 ZINC000528549314 356683029 /nfs/dbraw/zinc/68/30/29/356683029.db2.gz KOFSCVRIOGSVRS-GMOBBJLQSA-N -1 3 288.369 1.214 10 0 CDAEHM C[C@H](Sc1n[n-]c(CO)n1)C(=O)c1cc(F)ccc1F ZINC000562438096 290523042 /nfs/dbraw/zinc/52/30/42/290523042.db2.gz FWEQGTTXVSJXIK-LURJTMIESA-N -1 3 299.302 1.939 10 0 CDAEHM O=S(=O)([N-][C@H]1CCC[C@H](C(F)(F)F)C1)c1c[nH]cn1 ZINC000070417745 356890400 /nfs/dbraw/zinc/89/04/00/356890400.db2.gz SEJUAROBJUOTPN-YUMQZZPRSA-N -1 3 297.302 1.809 10 0 CDAEHM COc1cccc(C(=O)N2CCCSCC2)c1[O-] ZINC000042444820 357068005 /nfs/dbraw/zinc/06/80/05/357068005.db2.gz PCLQRPAVEHALQS-UHFFFAOYSA-N -1 3 267.350 1.980 10 0 CDAEHM COc1ccnc(CN2C3CCC2(C(=O)[O-])CC3)c1OC ZINC000634696709 357270680 /nfs/dbraw/zinc/27/06/80/357270680.db2.gz JHKCFKJUUSDVOO-UHFFFAOYSA-N -1 3 292.335 1.680 10 0 CDAEHM Nc1cc(F)c([O-])cc1I ZINC000575725168 357343090 /nfs/dbraw/zinc/34/30/90/357343090.db2.gz ASTCTDIGBZCMMS-UHFFFAOYSA-N -1 3 253.014 1.718 10 0 CDAEHM COC[C@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000181888305 357387946 /nfs/dbraw/zinc/38/79/46/357387946.db2.gz UAGDOZUNYFOPJS-ZETCQYMHSA-N -1 3 264.285 1.594 10 0 CDAEHM COC[C@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000181888305 357387951 /nfs/dbraw/zinc/38/79/51/357387951.db2.gz UAGDOZUNYFOPJS-ZETCQYMHSA-N -1 3 264.285 1.594 10 0 CDAEHM COC[C@H](C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000181888305 357387954 /nfs/dbraw/zinc/38/79/54/357387954.db2.gz UAGDOZUNYFOPJS-ZETCQYMHSA-N -1 3 264.285 1.594 10 0 CDAEHM O=C(NC[C@H]1CCC[C@@H]1O)c1cc(=O)c2ccccc2[n-]1 ZINC000089163061 357487215 /nfs/dbraw/zinc/48/72/15/357487215.db2.gz TUIJNANWVRPEKB-YGRLFVJLSA-N -1 3 286.331 1.419 10 0 CDAEHM CCNC(=O)CCCC(=O)[N-]OCc1ccc(F)cc1 ZINC000186448228 357648864 /nfs/dbraw/zinc/64/88/64/357648864.db2.gz QGDRWGMTIRWAKQ-UHFFFAOYSA-N -1 3 282.315 1.680 10 0 CDAEHM C[C@@H]1CCC[C@H]1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000407966269 357688561 /nfs/dbraw/zinc/68/85/61/357688561.db2.gz OAEIXZGIAMWCJU-RKDXNWHRSA-N -1 3 264.329 1.167 10 0 CDAEHM CCCN1CCN(C(=O)c2cccc([O-])c2)C(C)(C)C1=O ZINC000187432787 357764433 /nfs/dbraw/zinc/76/44/33/357764433.db2.gz KTZMBTAFXYQRRU-UHFFFAOYSA-N -1 3 290.363 1.865 10 0 CDAEHM C[C@]1(C[N-]S(=O)(=O)c2ccccn2)C[C@H]2C[C@H]2C1 ZINC000625560802 357890202 /nfs/dbraw/zinc/89/02/02/357890202.db2.gz NVHJKNRFCFLRKR-PJXYFTJBSA-N -1 3 266.366 1.796 10 0 CDAEHM Cc1nn(C)c(C)c1[N-]S(=O)(=O)N1CC[C@H](C)C1 ZINC000408139602 358173920 /nfs/dbraw/zinc/17/39/20/358173920.db2.gz OWDQEBNMOQRSLR-QMMMGPOBSA-N -1 3 272.374 1.035 10 0 CDAEHM COc1nnc(NC(=O)Cc2cccc(F)c2F)[n-]1 ZINC000129590175 358288658 /nfs/dbraw/zinc/28/86/58/358288658.db2.gz HLPQXVZIKHGMQV-UHFFFAOYSA-N -1 3 268.223 1.273 10 0 CDAEHM COc1nc(NC(=O)Cc2cccc(F)c2F)n[n-]1 ZINC000129590175 358288660 /nfs/dbraw/zinc/28/86/60/358288660.db2.gz HLPQXVZIKHGMQV-UHFFFAOYSA-N -1 3 268.223 1.273 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2cccc(F)c2F)n1 ZINC000129590175 358288661 /nfs/dbraw/zinc/28/86/61/358288661.db2.gz HLPQXVZIKHGMQV-UHFFFAOYSA-N -1 3 268.223 1.273 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCO[C@@H](C(F)F)CC2)n1 ZINC000634756862 358308929 /nfs/dbraw/zinc/30/89/29/358308929.db2.gz GFHWXOASIROOKN-SNVBAGLBSA-N -1 3 287.310 1.601 10 0 CDAEHM COc1nnc(NC(=O)CCOc2cccc(OC)c2)[n-]1 ZINC000294837775 199206585 /nfs/dbraw/zinc/20/65/85/199206585.db2.gz AVWUMAXHVSLKSH-UHFFFAOYSA-N -1 3 292.295 1.230 10 0 CDAEHM COc1nc(NC(=O)CCOc2cccc(OC)c2)n[n-]1 ZINC000294837775 199206586 /nfs/dbraw/zinc/20/65/86/199206586.db2.gz AVWUMAXHVSLKSH-UHFFFAOYSA-N -1 3 292.295 1.230 10 0 CDAEHM COc1n[n-]c(NC(=O)CCOc2cccc(OC)c2)n1 ZINC000294837775 199206587 /nfs/dbraw/zinc/20/65/87/199206587.db2.gz AVWUMAXHVSLKSH-UHFFFAOYSA-N -1 3 292.295 1.230 10 0 CDAEHM Cc1cnc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c([O-])c1 ZINC000408227917 358449957 /nfs/dbraw/zinc/44/99/57/358449957.db2.gz DTMYJLAZIXBCID-NWDGAFQWSA-N -1 3 275.352 1.404 10 0 CDAEHM O=C(NCc1cscn1)c1c([O-])cccc1O ZINC000092120450 358525077 /nfs/dbraw/zinc/52/50/77/358525077.db2.gz HEKWMWFLXMUUNG-UHFFFAOYSA-N -1 3 250.279 1.484 10 0 CDAEHM NC(=O)[N-]C(=O)OCCCN1CCCC[C@@H]1c1cn[nH]c1 ZINC000093193461 358592051 /nfs/dbraw/zinc/59/20/51/358592051.db2.gz YRAYHASBXQXXCZ-LLVKDONJSA-N -1 3 295.343 1.132 10 0 CDAEHM COc1cccc(C(=O)N2CCC[C@H](O)[C@H]2C)c1[O-] ZINC000296295779 199844827 /nfs/dbraw/zinc/84/48/27/199844827.db2.gz ZMYQQBYUBDAPQI-KOLCDFICSA-N -1 3 265.309 1.386 10 0 CDAEHM COc1cc(C(=O)NCC[C@H](C)F)cc(OC)c1[O-] ZINC000356673652 366478378 /nfs/dbraw/zinc/47/83/78/366478378.db2.gz RFEISVWXEQDEJA-QMMMGPOBSA-N -1 3 271.288 1.887 10 0 CDAEHM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000286718455 359107627 /nfs/dbraw/zinc/10/76/27/359107627.db2.gz SEXOCGQNKCRIJS-RQJHMYQMSA-N -1 3 278.736 1.808 10 0 CDAEHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000286718452 359107690 /nfs/dbraw/zinc/10/76/90/359107690.db2.gz SEXOCGQNKCRIJS-RNFRBKRXSA-N -1 3 278.736 1.808 10 0 CDAEHM COc1cccc(C(=O)NCCOC[C@H]2CCCO2)c1[O-] ZINC000604604757 359153440 /nfs/dbraw/zinc/15/34/40/359153440.db2.gz VROLAJVJMRMKQI-LLVKDONJSA-N -1 3 295.335 1.326 10 0 CDAEHM Cc1cccc(C(=O)N2CCN(C3CC3)CC2)c1[O-] ZINC000048995822 359240164 /nfs/dbraw/zinc/24/01/64/359240164.db2.gz JIVPVNAHSBXIJV-UHFFFAOYSA-N -1 3 260.337 1.621 10 0 CDAEHM CCc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)ccc1[O-] ZINC000335290954 359509487 /nfs/dbraw/zinc/50/94/87/359509487.db2.gz AURNNVPPBRRBBU-BETUJISGSA-N -1 3 261.321 1.958 10 0 CDAEHM COc1cc(=NC(=O)C(C)(C)CC(F)F)[n-]n1C ZINC000563870504 316386011 /nfs/dbraw/zinc/38/60/11/316386011.db2.gz CZPNFKNSLBYXFZ-UHFFFAOYSA-N -1 3 261.272 1.471 10 0 CDAEHM CC[C@@H](C)[C@@H](C)C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297663559 200255455 /nfs/dbraw/zinc/25/54/55/200255455.db2.gz GHDQBQKCQKVXIY-HTQZYQBOSA-N -1 3 279.344 1.318 10 0 CDAEHM CC[C@@H](C)[C@@H](C)C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297663559 200255457 /nfs/dbraw/zinc/25/54/57/200255457.db2.gz GHDQBQKCQKVXIY-HTQZYQBOSA-N -1 3 279.344 1.318 10 0 CDAEHM CC[C@@H](C)[C@@H](C)C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297663559 200255459 /nfs/dbraw/zinc/25/54/59/200255459.db2.gz GHDQBQKCQKVXIY-HTQZYQBOSA-N -1 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CDAEHM CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000040473778 174281989 /nfs/dbraw/zinc/28/19/89/174281989.db2.gz UVOTYAHGVCGOGX-RDDDGLTNSA-N -1 3 268.288 1.836 10 0 CDAEHM CC[C@H](C)NCC(=O)N1c2ccccc2C[C@@H]1C(=O)[O-] ZINC000040480748 174284762 /nfs/dbraw/zinc/28/47/62/174284762.db2.gz CJFLTEDHAOJCQR-GXFFZTMASA-N -1 3 276.336 1.417 10 0 CDAEHM O=C([O-])CN(C(=O)CNC1CC1)c1ccc(Cl)cc1 ZINC000040484758 174288183 /nfs/dbraw/zinc/28/81/83/174288183.db2.gz QHAIHWWQVWCLKB-UHFFFAOYSA-N -1 3 282.727 1.510 10 0 CDAEHM O=C([O-])[C@H](NC(=O)[C@H]1CCCCN1)C1CCCCC1 ZINC000040486626 174289186 /nfs/dbraw/zinc/28/91/86/174289186.db2.gz WETDQMFNQJYGTO-VXGBXAGGSA-N -1 3 268.357 1.278 10 0 CDAEHM CC(C)[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000040486801 174289677 /nfs/dbraw/zinc/28/96/77/174289677.db2.gz FHONBMRWKOPEBU-STQMWFEESA-N -1 3 276.336 1.008 10 0 CDAEHM N[C@H](COCC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000041071898 174470194 /nfs/dbraw/zinc/47/01/94/174470194.db2.gz 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/nfs/dbraw/zinc/28/44/08/175284408.db2.gz LJMREITYUCKGOT-UHFFFAOYSA-N -1 3 285.300 1.183 10 0 CDAEHM Cc1noc(CNc2nc(C)cc(C)c2C(=O)[O-])n1 ZINC000045010858 175289936 /nfs/dbraw/zinc/28/99/36/175289936.db2.gz ALWUTQJGDKCCKA-UHFFFAOYSA-N -1 3 262.269 1.700 10 0 CDAEHM CN1CCC(Nc2ncnc3cc(C(=O)[O-])ccc32)CC1 ZINC000071141487 176039289 /nfs/dbraw/zinc/03/92/89/176039289.db2.gz UNIDMCLFCNRVQR-UHFFFAOYSA-N -1 3 286.335 1.834 10 0 CDAEHM Cc1cccc(NC(=O)NC2CCN(C)CC2)c1C(=O)[O-] ZINC000071171888 176051777 /nfs/dbraw/zinc/05/17/77/176051777.db2.gz HAWLSVOCZHADMH-UHFFFAOYSA-N -1 3 291.351 1.909 10 0 CDAEHM COc1ccccc1NC(=O)CCN1CC(C(=O)[O-])C1 ZINC000071173872 176053643 /nfs/dbraw/zinc/05/36/43/176053643.db2.gz LMSKTMPARBKZSU-UHFFFAOYSA-N -1 3 278.308 1.040 10 0 CDAEHM Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(CN)c2)n1 ZINC000071239443 176094282 /nfs/dbraw/zinc/09/42/82/176094282.db2.gz CHEHGZSCKWFVQP-UHFFFAOYSA-N -1 3 295.339 1.211 10 0 CDAEHM CC(C)(C)[C@H](O)CC[N-]S(=O)(=O)c1cccs1 ZINC000077109631 177225041 /nfs/dbraw/zinc/22/50/41/177225041.db2.gz MFFULGJQDHYXAZ-SECBINFHSA-N -1 3 277.411 1.824 10 0 CDAEHM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2cscn2)C1 ZINC000655654323 424292583 /nfs/dbraw/zinc/29/25/83/424292583.db2.gz TWKVXVZIFPFODW-KYZUINATSA-N -1 3 290.410 1.768 10 0 CDAEHM O=C(N[C@@H]1CCc2nc[nH]c2C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000519178893 265354575 /nfs/dbraw/zinc/35/45/75/265354575.db2.gz QNRCBAXMQOJSHS-SECBINFHSA-N -1 3 299.334 1.070 10 0 CDAEHM O=C(N[C@@H]1CCc2[nH]cnc2C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000519178893 265354576 /nfs/dbraw/zinc/35/45/76/265354576.db2.gz QNRCBAXMQOJSHS-SECBINFHSA-N -1 3 299.334 1.070 10 0 CDAEHM CCOc1ccc(CN2C[C@H](OC)C[C@H]2CC(=O)[O-])nc1 ZINC000652503376 424500531 /nfs/dbraw/zinc/50/05/31/424500531.db2.gz BJQLGBBPIXOPQX-GXTWGEPZSA-N -1 3 294.351 1.544 10 0 CDAEHM Cc1cnccc1Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000662894825 424546964 /nfs/dbraw/zinc/54/69/64/424546964.db2.gz GNHDDQIMULXDNL-UHFFFAOYSA-N -1 3 260.297 1.572 10 0 CDAEHM 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/nfs/dbraw/zinc/80/60/93/575806093.db2.gz XBRNBIUZRRUTMN-TYBABMIJSA-N -1 3 275.356 1.247 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CCC[C@@H](OC(C)=O)C2)c1 ZINC000765087323 575984983 /nfs/dbraw/zinc/98/49/83/575984983.db2.gz KUWWMYXVOALHAA-GFCCVEGCSA-N -1 3 293.319 1.569 10 0 CDAEHM O=C([N-][C@@H]1CC[S@@](=O)C1)C(F)(F)c1ccccc1F ZINC000765844925 576060481 /nfs/dbraw/zinc/06/04/81/576060481.db2.gz VFLKUHRORNUJLO-LILOVNGRSA-N -1 3 291.294 1.555 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)n1 ZINC000767433472 576193340 /nfs/dbraw/zinc/19/33/40/576193340.db2.gz IXHOXMLQLNRIOT-AAEUAGOBSA-N -1 3 287.367 1.770 10 0 CDAEHM CCN(CC(=O)N=c1cc[n-]n1[C@H](C)C1CC1)C1CC1 ZINC000741781278 576572424 /nfs/dbraw/zinc/57/24/24/576572424.db2.gz ROAAWFMQNWZRSI-LLVKDONJSA-N -1 3 276.384 1.699 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCOc3ccccc3C2)n1 ZINC000761865090 576600030 /nfs/dbraw/zinc/60/00/30/576600030.db2.gz OBTXVEJFYNUWFW-UHFFFAOYSA-N -1 3 271.320 1.885 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CC[C@@H](Cc3cnn(C)c3)C2)n1 ZINC000761885481 576603444 /nfs/dbraw/zinc/60/34/44/576603444.db2.gz CHRFOIVSSFMLMI-LBPRGKRZSA-N -1 3 287.367 1.289 10 0 CDAEHM CCCCC(=O)OCC(=O)N=c1cc[n-]n1[C@@H](C)C1CC1 ZINC000744477186 576682529 /nfs/dbraw/zinc/68/25/29/576682529.db2.gz GMVCIYHNSSXGDC-NSHDSACASA-N -1 3 293.367 1.948 10 0 CDAEHM C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)COC(=O)C1CC1 ZINC000744485868 576683060 /nfs/dbraw/zinc/68/30/60/576683060.db2.gz DUNHWIXYRBECNU-VIFPVBQESA-N -1 3 277.324 1.168 10 0 CDAEHM C[C@H](OC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(Cl)cc1 ZINC000751565944 577050774 /nfs/dbraw/zinc/05/07/74/577050774.db2.gz MYJDAYNFNSRSSF-XVKPBYJWSA-N -1 3 296.710 1.542 10 0 CDAEHM C[C@H](OC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccccc1Cl ZINC000751569100 577051327 /nfs/dbraw/zinc/05/13/27/577051327.db2.gz QFLMMMDUAAPGDW-XVKPBYJWSA-N -1 3 296.710 1.542 10 0 CDAEHM C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CN1C[C@H](C)[C@H](C)C1 ZINC000752302169 577098641 /nfs/dbraw/zinc/09/86/41/577098641.db2.gz YVTSFHYKKNBSHE-FRRDWIJNSA-N -1 3 290.411 1.802 10 0 CDAEHM Cc1cncc(/C=C/C(=O)[N-]OCC(C)(C)O)c1 ZINC000753082383 577144087 /nfs/dbraw/zinc/14/40/87/577144087.db2.gz JLWVVGGTPVNFIM-SNAWJCMRSA-N -1 3 250.298 1.222 10 0 CDAEHM COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)c1ccccc1[O-] ZINC000894917887 619143592 /nfs/dbraw/zinc/14/35/92/619143592.db2.gz SBCAOQXVBFCIHF-PWSUYJOCSA-N -1 3 293.319 1.233 10 0 CDAEHM CCOC(=O)c1nc([C@H](C)NCc2ccoc2)n[n-]1 ZINC000895236462 619476880 /nfs/dbraw/zinc/47/68/80/619476880.db2.gz SIHBFLIDZAKQAN-QMMMGPOBSA-N -1 3 264.285 1.425 10 0 CDAEHM CCOC(=O)c1nnc([C@H](C)NCc2ccoc2)[n-]1 ZINC000895236462 619476884 /nfs/dbraw/zinc/47/68/84/619476884.db2.gz SIHBFLIDZAKQAN-QMMMGPOBSA-N -1 3 264.285 1.425 10 0 CDAEHM CCOC(=O)c1n[n-]c([C@H](C)NCc2ccoc2)n1 ZINC000895236462 619476886 /nfs/dbraw/zinc/47/68/86/619476886.db2.gz SIHBFLIDZAKQAN-QMMMGPOBSA-N -1 3 264.285 1.425 10 0 CDAEHM CCOC(=O)c1nc([C@H](C)NCc2cncn2CC)n[n-]1 ZINC000895240632 619482726 /nfs/dbraw/zinc/48/27/26/619482726.db2.gz BYNVERUCWRHWQN-VIFPVBQESA-N -1 3 292.343 1.049 10 0 CDAEHM CCOC(=O)c1nnc([C@H](C)NCc2cncn2CC)[n-]1 ZINC000895240632 619482734 /nfs/dbraw/zinc/48/27/34/619482734.db2.gz BYNVERUCWRHWQN-VIFPVBQESA-N -1 3 292.343 1.049 10 0 CDAEHM CCOC(=O)c1n[n-]c([C@H](C)NCc2cncn2CC)n1 ZINC000895240632 619482738 /nfs/dbraw/zinc/48/27/38/619482738.db2.gz BYNVERUCWRHWQN-VIFPVBQESA-N -1 3 292.343 1.049 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCCC1CCC1 ZINC000867516983 620479463 /nfs/dbraw/zinc/47/94/63/620479463.db2.gz LRUFTRWGURUQII-INIZCTEOSA-N -1 3 282.431 1.519 10 0 CDAEHM Cc1ncc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)s1 ZINC000898213696 621367068 /nfs/dbraw/zinc/36/70/68/621367068.db2.gz ZEOLYDVVOUUUNJ-QMMMGPOBSA-N -1 3 278.337 1.510 10 0 CDAEHM O=C([C@H]1CCSC1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216898 621369754 /nfs/dbraw/zinc/36/97/54/621369754.db2.gz YDMHXBDSOQKDKS-BDAKNGLRSA-N -1 3 267.354 1.184 10 0 CDAEHM CCc1ncsc1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217048 621369810 /nfs/dbraw/zinc/36/98/10/621369810.db2.gz BMSZWRYSIZSUON-MRVPVSSYSA-N -1 3 292.364 1.764 10 0 CDAEHM CCC1(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)CCOCC1 ZINC000898217976 621370760 /nfs/dbraw/zinc/37/07/60/621370760.db2.gz WHTBCSTZFHHLOH-LLVKDONJSA-N -1 3 293.367 1.638 10 0 CDAEHM O=C(Cc1cncs1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898220545 621372723 /nfs/dbraw/zinc/37/27/23/621372723.db2.gz DNMSPWMCHWMYQN-MRVPVSSYSA-N -1 3 278.337 1.130 10 0 CDAEHM C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)O1 ZINC000898222184 621409982 /nfs/dbraw/zinc/40/99/82/621409982.db2.gz RJLBRMLEUAYGOG-WTBMIXGQSA-N -1 3 279.340 1.245 10 0 CDAEHM COCC1(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)CCCC1 ZINC000898224965 621413668 /nfs/dbraw/zinc/41/36/68/621413668.db2.gz DACSIZZYZZSYBK-LLVKDONJSA-N -1 3 293.367 1.638 10 0 CDAEHM CO[C@H](C(=O)NCc1nc(C)cc(=O)[n-]1)C1CCCCC1 ZINC000898258616 621422253 /nfs/dbraw/zinc/42/22/53/621422253.db2.gz UDSYAUIEJLOJOI-AWEZNQCLSA-N -1 3 293.367 1.702 10 0 CDAEHM Cc1nc(C(=O)NCc2nc(C)cc(=O)[n-]2)c(C)s1 ZINC000898261238 621427062 /nfs/dbraw/zinc/42/70/62/621427062.db2.gz GBBOKXHAJPHATD-UHFFFAOYSA-N -1 3 278.337 1.494 10 0 CDAEHM O=C(NCc1cc(C2CC2)no1)c1cccc2n[n-]nc21 ZINC000923884051 621591845 /nfs/dbraw/zinc/59/18/45/621591845.db2.gz GFNIYPNLCHCAGL-UHFFFAOYSA-N -1 3 283.291 1.753 10 0 CDAEHM COc1cccc(C(=O)Nc2n[nH]c3c2COCC3)c1[O-] ZINC000899258476 622131345 /nfs/dbraw/zinc/13/13/45/622131345.db2.gz IKPPYQMDJMHTEG-UHFFFAOYSA-N -1 3 289.291 1.449 10 0 CDAEHM COc1nnc(NC(=O)C[C@@H]2CCC(C)(C)CO2)[n-]1 ZINC000901286387 624114874 /nfs/dbraw/zinc/11/48/74/624114874.db2.gz IXERBUIKRHGGOQ-QMMMGPOBSA-N -1 3 268.317 1.347 10 0 CDAEHM COc1nc(NC(=O)C[C@@H]2CCC(C)(C)CO2)n[n-]1 ZINC000901286387 624114885 /nfs/dbraw/zinc/11/48/85/624114885.db2.gz IXERBUIKRHGGOQ-QMMMGPOBSA-N -1 3 268.317 1.347 10 0 CDAEHM COc1n[n-]c(NC(=O)C[C@@H]2CCC(C)(C)CO2)n1 ZINC000901286387 624114898 /nfs/dbraw/zinc/11/48/98/624114898.db2.gz IXERBUIKRHGGOQ-QMMMGPOBSA-N -1 3 268.317 1.347 10 0 CDAEHM CCC[C@H](C)CN(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000901627273 624379713 /nfs/dbraw/zinc/37/97/13/624379713.db2.gz PGFNHPPLCYLRFX-QWHCGFSZSA-N -1 3 284.400 1.678 10 0 CDAEHM CCC[C@@H](C)CN(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000901627269 624379785 /nfs/dbraw/zinc/37/97/85/624379785.db2.gz PGFNHPPLCYLRFX-CHWSQXEVSA-N -1 3 284.400 1.678 10 0 CDAEHM COC(=O)C1CC2(C1)CN(C/C=C\Cl)C[C@H]2C(=O)[O-] ZINC000903415381 625986713 /nfs/dbraw/zinc/98/67/13/625986713.db2.gz JCIMYCZXJJMSPN-DYBLPEBBSA-N -1 3 287.743 1.325 10 0 CDAEHM O=C([O-])[C@H]1c2ccoc2CCN1CCOC1CC1 ZINC000903607672 626033227 /nfs/dbraw/zinc/03/32/27/626033227.db2.gz UZBOAIIYCJJIIQ-GFCCVEGCSA-N -1 3 251.282 1.442 10 0 CDAEHM CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000905116023 626628275 /nfs/dbraw/zinc/62/82/75/626628275.db2.gz XVMZIVOKRHQZPN-AGIUHOORSA-N -1 3 296.411 1.866 10 0 CDAEHM CCCN(C)CC(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC000910316618 628987961 /nfs/dbraw/zinc/98/79/61/628987961.db2.gz XLJSTSIUBXIANX-CYBMUJFWSA-N -1 3 256.346 1.088 10 0 CDAEHM O=C([C@H]1CCC=CO1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911851654 629590098 /nfs/dbraw/zinc/59/00/98/629590098.db2.gz DVKWPOLZRHYZNQ-MWLCHTKSSA-N -1 3 263.297 1.124 10 0 CDAEHM O=C(N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)C(F)(F)C(F)F ZINC000911852235 629590552 /nfs/dbraw/zinc/59/05/52/629590552.db2.gz LIUAUPXKBJXCAO-RXMQYKEDSA-N -1 3 281.209 1.332 10 0 CDAEHM O=C(C=Cc1cccnc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911852733 629591602 /nfs/dbraw/zinc/59/16/02/629591602.db2.gz POMARYFMBNUDRO-PCAWENJQSA-N -1 3 284.319 1.540 10 0 CDAEHM O=C(N1CC[C@H](c2cc(=O)[nH][n-]2)C1)C1(c2cccnc2)CC1 ZINC000911857063 629595567 /nfs/dbraw/zinc/59/55/67/629595567.db2.gz ZTDOYFTWAJHBIF-NSHDSACASA-N -1 3 298.346 1.558 10 0 CDAEHM CC(=Cc1ccccn1)C(=O)NCCCc1c[n-][nH]c1=O ZINC000912468965 630016986 /nfs/dbraw/zinc/01/69/86/630016986.db2.gz AJEMOEOXKFJKNA-UCQJPZFISA-N -1 3 286.335 1.113 10 0 CDAEHM CN=[S@@](C)(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000912789445 630207097 /nfs/dbraw/zinc/20/70/97/630207097.db2.gz IRVRRPLWEVVDKZ-SFHVURJKSA-N -1 3 270.354 1.158 10 0 CDAEHM CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1nnc2ccccc2c1[O-] ZINC000913536885 630531322 /nfs/dbraw/zinc/53/13/22/630531322.db2.gz PUJHEZHEZZCVGQ-PHIMTYICSA-N -1 3 298.346 1.254 10 0 CDAEHM CCOc1nnc(NC(=O)C[C@H]2CCC(C)(C)CO2)[n-]1 ZINC000913778285 630759345 /nfs/dbraw/zinc/75/93/45/630759345.db2.gz YRRMAEJJBQKGIC-SECBINFHSA-N -1 3 282.344 1.737 10 0 CDAEHM CCOc1nc(NC(=O)C[C@H]2CCC(C)(C)CO2)n[n-]1 ZINC000913778285 630759349 /nfs/dbraw/zinc/75/93/49/630759349.db2.gz YRRMAEJJBQKGIC-SECBINFHSA-N -1 3 282.344 1.737 10 0 CDAEHM CCOc1n[n-]c(NC(=O)C[C@H]2CCC(C)(C)CO2)n1 ZINC000913778285 630759352 /nfs/dbraw/zinc/75/93/52/630759352.db2.gz YRRMAEJJBQKGIC-SECBINFHSA-N -1 3 282.344 1.737 10 0 CDAEHM Cn1c(=O)[n-]nc1SCc1cnn(-c2ccccc2)n1 ZINC000915794423 631818902 /nfs/dbraw/zinc/81/89/02/631818902.db2.gz HDVPZBCKYGFHHJ-UHFFFAOYSA-N -1 3 288.336 1.394 10 0 CDAEHM O=S(=O)(N=S1(=O)CCCC1)[N-][C@@H]1CCCC12CC2 ZINC000867580151 1164841329 /nfs/dbraw/zinc/84/13/29/1164841329.db2.gz UTYGOCSIJKRUMA-SNVBAGLBSA-N -1 3 292.426 1.415 10 0 CDAEHM Clc1ccc(CN2CCC(Cc3nn[n-]n3)CC2)cn1 ZINC001620549322 1165658744 /nfs/dbraw/zinc/65/87/44/1165658744.db2.gz YLJQDDADMHGAJB-UHFFFAOYSA-N -1 3 292.774 1.703 10 0 CDAEHM CCN1C[C@H](C)N(C(=O)c2ccc([O-])cn2)C[C@@H]1C ZINC001624280947 1165832452 /nfs/dbraw/zinc/83/24/52/1165832452.db2.gz JUNIDQYCPBKUON-QWRGUYRKSA-N -1 3 263.341 1.342 10 0 CDAEHM CC(=Cc1ccccn1)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001628274037 1166059544 /nfs/dbraw/zinc/05/95/44/1166059544.db2.gz ANFCAEPPGWYYDW-XPSMFNQNSA-N -1 3 286.335 1.113 10 0 CDAEHM Cc1[n-]nc(Cl)c1C(=O)NOCc1ccccn1 ZINC001629526434 1166145949 /nfs/dbraw/zinc/14/59/49/1166145949.db2.gz ZRYGNADJUZPRDL-UHFFFAOYSA-N -1 3 266.688 1.628 10 0 CDAEHM CN(OCc1ccccc1)C(=O)c1cc(=O)[n-]cn1 ZINC001632336478 1166342274 /nfs/dbraw/zinc/34/22/74/1166342274.db2.gz PIFSIFVSXCVYSQ-UHFFFAOYSA-N -1 3 259.265 1.386 10 0 CDAEHM CCOCCCCCC(=O)NCCc1c(C)[n-][nH]c1=O ZINC001632758041 1166375196 /nfs/dbraw/zinc/37/51/96/1166375196.db2.gz ALLXHTMLZZYDCM-LBPRGKRZSA-N -1 3 283.372 1.212 10 0 CDAEHM CC(=O)c1cccc(NC(=O)c2cnn(CCO)c2)c1[O-] ZINC001638113241 1166818872 /nfs/dbraw/zinc/81/88/72/1166818872.db2.gz GLRCMRNSGGYAAE-UHFFFAOYSA-N -1 3 289.291 1.036 10 0 CDAEHM Cc1ccc2nc([N-]C(=O)c3cccc[n+]3[O-])sc2n1 ZINC001638766789 1166870509 /nfs/dbraw/zinc/87/05/09/1166870509.db2.gz YLEJZQDNLBZZOY-UHFFFAOYSA-N -1 3 286.316 1.885 10 0 CDAEHM C=C/C=C\CC(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001643900284 1167277950 /nfs/dbraw/zinc/27/79/50/1167277950.db2.gz WNAGDCQWEWSELA-ARJAWSKDSA-N -1 3 261.329 1.113 10 0 CDAEHM C=C/C=C\CC(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001643900284 1167277956 /nfs/dbraw/zinc/27/79/56/1167277956.db2.gz WNAGDCQWEWSELA-ARJAWSKDSA-N -1 3 261.329 1.113 10 0 CDAEHM Cc1ncsc1C=CC(=O)NCc1nc(C)cc(=O)[n-]1 ZINC001644282641 1167305064 /nfs/dbraw/zinc/30/50/64/1167305064.db2.gz JQFPOOXTSMIWKD-ONEGZZNKSA-N -1 3 290.348 1.585 10 0 CDAEHM O=C(Cc1cccc(O)c1)N1CCc2nc[n-]c(=O)c2C1 ZINC001645717868 1167475482 /nfs/dbraw/zinc/47/54/82/1167475482.db2.gz OWJHJOSGDYMYAY-UHFFFAOYSA-N -1 3 285.303 1.015 10 0 CDAEHM O=C(c1ccccc1[O-])N1CC[C@@H](c2ncccn2)C1 ZINC001646568672 1167931605 /nfs/dbraw/zinc/93/16/05/1167931605.db2.gz ALKDAYDUKZWRSK-LLVKDONJSA-N -1 3 269.304 1.812 10 0 CDAEHM CC(F)(F)C(=O)[N-]C/C=C/CNCC(F)(F)C(F)F ZINC001568807272 1169485716 /nfs/dbraw/zinc/48/57/16/1169485716.db2.gz MJFRSKVXXOBIEZ-NSCUHMNNSA-N -1 3 292.223 1.804 10 0 CDAEHM O=C(Cc1cccs1)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001583363387 1172755518 /nfs/dbraw/zinc/75/55/18/1172755518.db2.gz DRLBYUMCNGWFNE-UHFFFAOYSA-N -1 3 281.362 1.391 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001585162931 1172880766 /nfs/dbraw/zinc/88/07/66/1172880766.db2.gz BBZZJPOPYHOHMS-TUAOUCFPSA-N -1 3 263.341 1.051 10 0 CDAEHM Cc1cc(C=O)c([O-])c(C(=O)N(C)CCN(C)C)c1 ZINC001621038213 1174899496 /nfs/dbraw/zinc/89/94/96/1174899496.db2.gz SHHJDGVFTCDZHI-UHFFFAOYSA-N -1 3 264.325 1.147 10 0 CDAEHM CC(C)=CC(=O)N[C@@H](C)CNC(=O)c1ccccc1[O-] ZINC001704008421 1177616268 /nfs/dbraw/zinc/61/62/68/1177616268.db2.gz KSYUXZKAZUXKES-NSHDSACASA-N -1 3 276.336 1.593 10 0 CDAEHM CCOc1nnc(NC(=O)CCc2c(C)noc2C)[n-]1 ZINC000228776374 1178115759 /nfs/dbraw/zinc/11/57/59/1178115759.db2.gz QVQCHWKUSGDMJX-UHFFFAOYSA-N -1 3 279.300 1.380 10 0 CDAEHM CCOc1nc(NC(=O)CCc2c(C)noc2C)n[n-]1 ZINC000228776374 1178115763 /nfs/dbraw/zinc/11/57/63/1178115763.db2.gz QVQCHWKUSGDMJX-UHFFFAOYSA-N -1 3 279.300 1.380 10 0 CDAEHM CCOc1n[n-]c(NC(=O)CCc2c(C)noc2C)n1 ZINC000228776374 1178115771 /nfs/dbraw/zinc/11/57/71/1178115771.db2.gz QVQCHWKUSGDMJX-UHFFFAOYSA-N -1 3 279.300 1.380 10 0 CDAEHM CCCCCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1cn[n-]n1 ZINC001718085087 1180988330 /nfs/dbraw/zinc/98/83/30/1180988330.db2.gz FTENOXBCHIKWER-UWVGGRQHSA-N -1 3 281.360 1.008 10 0 CDAEHM CC[C@H](C)CCC(=O)NCC=CCNC(=O)c1cn[n-]n1 ZINC001747280887 1184707418 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298.302 1.297 10 0 CDAEHM CC(=O)c1cccc(NC(=O)Cc2nnc(C)o2)c1[O-] ZINC001141649739 936914790 /nfs/dbraw/zinc/91/47/90/936914790.db2.gz STUDLGJBQXGHGG-UHFFFAOYSA-N -1 3 275.264 1.467 10 0 CDAEHM CCC(=O)NCCCOCCNC(=O)c1ccccc1[O-] ZINC001487619435 925979204 /nfs/dbraw/zinc/97/92/04/925979204.db2.gz XYBZPWPYUGZHKZ-UHFFFAOYSA-N -1 3 294.351 1.055 10 0 CDAEHM O=C([O-])CCCCCNCc1cn(C2CC2)cn1 ZINC001119611147 937739094 /nfs/dbraw/zinc/73/90/94/937739094.db2.gz OAUPZZKEAVWLEP-UHFFFAOYSA-N -1 3 251.330 1.953 10 0 CDAEHM CS(=O)(=O)CCCCOc1ccc2c([O-])coc2c1 ZINC000689104798 934775175 /nfs/dbraw/zinc/77/51/75/934775175.db2.gz LQKXTDIUGQLYSV-UHFFFAOYSA-N -1 3 284.333 1.465 10 0 CDAEHM O=C([N-]OC[C@@H]1CCOC1)c1c(Cl)ccnc1F ZINC001123717728 936206996 /nfs/dbraw/zinc/20/69/96/936206996.db2.gz VYSDKVJOQHWGLB-SSDOTTSWSA-N -1 3 274.679 1.572 10 0 CDAEHM O=C([N-]OCC(F)(F)F)[C@H]1Cc2cccnc2C1 ZINC001123761057 936215016 /nfs/dbraw/zinc/21/50/16/936215016.db2.gz QLXNKELIZWINRH-QMMMGPOBSA-N -1 3 260.215 1.407 10 0 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362892612 /nfs/dbraw/zinc/89/26/12/362892612.db2.gz VMIOXHNHCUMVSY-UHFFFAOYSA-N -1 3 293.367 1.792 10 0 CDAEHM CCOC(=O)c1nnc(CNC(=O)c2sccc2C)[n-]1 ZINC000615920459 349002623 /nfs/dbraw/zinc/00/26/23/349002623.db2.gz VNVZFFHKYDEGIP-UHFFFAOYSA-N -1 3 294.336 1.281 10 0 CDAEHM Cc1ccccc1C(=O)NCC(=O)Nc1ncccc1[O-] ZINC000069741760 349108244 /nfs/dbraw/zinc/10/82/44/349108244.db2.gz XNDNOGRBDRZTRM-UHFFFAOYSA-N -1 3 285.303 1.464 10 0 CDAEHM COc1nnc(NC(=O)CCOc2ccccc2OC)[n-]1 ZINC000271238423 191021364 /nfs/dbraw/zinc/02/13/64/191021364.db2.gz DEQKVCMNZLRPGQ-UHFFFAOYSA-N -1 3 292.295 1.230 10 0 CDAEHM COc1nc(NC(=O)CCOc2ccccc2OC)n[n-]1 ZINC000271238423 191021366 /nfs/dbraw/zinc/02/13/66/191021366.db2.gz DEQKVCMNZLRPGQ-UHFFFAOYSA-N -1 3 292.295 1.230 10 0 CDAEHM COc1n[n-]c(NC(=O)CCOc2ccccc2OC)n1 ZINC000271238423 191021367 /nfs/dbraw/zinc/02/13/67/191021367.db2.gz DEQKVCMNZLRPGQ-UHFFFAOYSA-N -1 3 292.295 1.230 10 0 CDAEHM COC(=O)[C@H]1CCCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000112282601 365984156 /nfs/dbraw/zinc/98/41/56/365984156.db2.gz LGYKKMPRWUKDLN-NSHDSACASA-N -1 3 277.320 1.726 10 0 CDAEHM COc1cc(=NC(=O)COCc2cccc(C)c2)[n-]n1C ZINC000621958571 350891473 /nfs/dbraw/zinc/89/14/73/350891473.db2.gz PBULKBBAFZUOCL-UHFFFAOYSA-N -1 3 289.335 1.314 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1nnn(C(C)(C)C)n1 ZINC000622122073 351018823 /nfs/dbraw/zinc/01/88/23/351018823.db2.gz XQPCDGBORPQNIB-UHFFFAOYSA-N -1 3 291.359 1.257 10 0 CDAEHM CC1(C)OCC[C@H]1CNC(=O)c1cc(F)c[n-]c1=O ZINC000622181677 351058241 /nfs/dbraw/zinc/05/82/41/351058241.db2.gz DUPXCEUUCZXEPV-QMMMGPOBSA-N -1 3 268.288 1.471 10 0 CDAEHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC(CCO)C1 ZINC000622484626 351190373 /nfs/dbraw/zinc/19/03/73/351190373.db2.gz UBKVFUBPFXQJLL-UHFFFAOYSA-N -1 3 289.253 1.865 10 0 CDAEHM COC(=O)C1(NC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000279396033 351395860 /nfs/dbraw/zinc/39/58/60/351395860.db2.gz ADUOYPZSUDUPHM-UHFFFAOYSA-N -1 3 285.299 1.981 10 0 CDAEHM CC[C@@H]1CCCCCN1C(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000125369188 351434406 /nfs/dbraw/zinc/43/44/06/351434406.db2.gz WHPGNJCVCIIYOJ-GHMZBOCLSA-N -1 3 281.356 1.156 10 0 CDAEHM Cc1cccc([O-])c1C(=O)NCCCCN1CCOCC1 ZINC000624176819 351464121 /nfs/dbraw/zinc/46/41/21/351464121.db2.gz SNMGUJMBVXKJTN-UHFFFAOYSA-N -1 3 292.379 1.543 10 0 CDAEHM O=S(=O)([N-][C@H]1CCCC[C@H]1O)c1ccc(F)cc1F ZINC000052005530 363121410 /nfs/dbraw/zinc/12/14/10/363121410.db2.gz NLCDEXJJWDAUFV-WDEREUQCSA-N -1 3 291.319 1.547 10 0 CDAEHM CC(C)c1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000264789894 363153424 /nfs/dbraw/zinc/15/34/24/363153424.db2.gz XQKSDEISQSRDSX-UHFFFAOYSA-N -1 3 275.308 1.300 10 0 CDAEHM CC[C@@H](CN1Cc2nc(C3CC3)[n-]c(=O)c2C1)OC ZINC001660017966 1172152313 /nfs/dbraw/zinc/15/23/13/1172152313.db2.gz WQDXXSLAHGGPCX-JTQLQIEISA-N -1 3 263.341 1.800 10 0 CDAEHM Cc1nnc([N-]C(=O)c2nnn(C(C)C)c2C)s1 ZINC000292380228 198266636 /nfs/dbraw/zinc/26/66/36/198266636.db2.gz BCTPHIMUMCPDLR-UHFFFAOYSA-N -1 3 266.330 1.580 10 0 CDAEHM COc1ccc(C(=O)N[C@H](C)[C@H](C)OC)c([O-])c1 ZINC000292450413 198293994 /nfs/dbraw/zinc/29/39/94/198293994.db2.gz FZRXTVDYLANRAI-BDAKNGLRSA-N -1 3 253.298 1.554 10 0 CDAEHM COc1nnc(NC(=O)c2cc(C)nc3onc(C)c32)[n-]1 ZINC000158187932 188362273 /nfs/dbraw/zinc/36/22/73/188362273.db2.gz ZKJUPPLAVDIOOY-UHFFFAOYSA-N -1 3 288.267 1.219 10 0 CDAEHM COc1nc(NC(=O)c2cc(C)nc3onc(C)c32)n[n-]1 ZINC000158187932 188362275 /nfs/dbraw/zinc/36/22/75/188362275.db2.gz ZKJUPPLAVDIOOY-UHFFFAOYSA-N -1 3 288.267 1.219 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cc(C)nc3onc(C)c32)n1 ZINC000158187932 188362276 /nfs/dbraw/zinc/36/22/76/188362276.db2.gz ZKJUPPLAVDIOOY-UHFFFAOYSA-N -1 3 288.267 1.219 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2C)c1 ZINC000336269277 363254000 /nfs/dbraw/zinc/25/40/00/363254000.db2.gz LKBRUWMHFUGZCM-BDAKNGLRSA-N -1 3 261.368 1.512 10 0 CDAEHM Cc1ccc([O-])c(CN[C@H](C)CN2CCCC2=O)n1 ZINC000112716707 366125761 /nfs/dbraw/zinc/12/57/61/366125761.db2.gz ZPQUPUIHDBGURI-LLVKDONJSA-N -1 3 263.341 1.196 10 0 CDAEHM CN(C)c1ccc2cc(C(=O)C[C@H](N)C(=O)[O-])ccc2c1 ZINC000034778353 363316322 /nfs/dbraw/zinc/31/63/22/363316322.db2.gz CBXJSYVOJHNVQJ-AWEZNQCLSA-N -1 3 286.331 1.891 10 0 CDAEHM CC(C)[C@H](NC(=O)c1cccc([O-])c1)C(C)(C)O ZINC000276787813 366152593 /nfs/dbraw/zinc/15/25/93/366152593.db2.gz QOQPZLTVCBDMAH-LBPRGKRZSA-N -1 3 251.326 1.918 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@@H](CO)c2ccsc2)c1 ZINC000356259210 366202144 /nfs/dbraw/zinc/20/21/44/366202144.db2.gz XDLWLRCGPPNTES-LBPRGKRZSA-N -1 3 293.344 1.926 10 0 CDAEHM O=C([O-])c1ccc(CN[C@H]2CCN(C3CCC3)C2=O)cc1 ZINC000629774406 363432449 /nfs/dbraw/zinc/43/24/49/363432449.db2.gz XRKYYTCESQUFDH-AWEZNQCLSA-N -1 3 288.347 1.628 10 0 CDAEHM C[C@H]1C[C@H]1c1noc(C(=O)NCc2ccc([O-])c(F)c2)n1 ZINC000631358600 356319001 /nfs/dbraw/zinc/31/90/01/356319001.db2.gz WKHUBDZTJYDNDN-IONNQARKSA-N -1 3 291.282 1.968 10 0 CDAEHM CO[C@H](CS(=O)(=O)[N-]Cc1scnc1C)C1CC1 ZINC000564906576 538437956 /nfs/dbraw/zinc/43/79/56/538437956.db2.gz POKGTTNHCHMXSW-SNVBAGLBSA-N -1 3 290.410 1.296 10 0 CDAEHM COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC000456177558 363555225 /nfs/dbraw/zinc/55/52/25/363555225.db2.gz LYFHDEFCMYEANT-PWSUYJOCSA-N -1 3 277.320 1.854 10 0 CDAEHM COC(=O)[C@H](CF)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000356473050 366340858 /nfs/dbraw/zinc/34/08/58/366340858.db2.gz FGJIWJFMEDQMBE-LBPRGKRZSA-N -1 3 291.278 1.786 10 0 CDAEHM Cc1nn(C)c(C)c1CNC(=O)c1cccc([O-])c1 ZINC000082260050 357067211 /nfs/dbraw/zinc/06/72/11/357067211.db2.gz RHTVROBAEOOPSJ-UHFFFAOYSA-N -1 3 259.309 1.673 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000628082264 357070664 /nfs/dbraw/zinc/07/06/64/357070664.db2.gz PPTLNHNDDVOBSG-GHMZBOCLSA-N -1 3 297.376 1.396 10 0 CDAEHM COc1cccc(C(=O)N(C)CC(C)(C)OC)c1[O-] ZINC000404332471 357258131 /nfs/dbraw/zinc/25/81/31/357258131.db2.gz DHOYDXAJZIBAPP-UHFFFAOYSA-N -1 3 267.325 1.898 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)NC[C@@H](CC(=O)[O-])CC(C)C ZINC000088273226 357437403 /nfs/dbraw/zinc/43/74/03/357437403.db2.gz RKXTZRUEBBDKMD-LOWVWBTDSA-N -1 3 272.389 1.613 10 0 CDAEHM CC1(CO)CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000456233163 363586479 /nfs/dbraw/zinc/58/64/79/363586479.db2.gz ACBQNZZSMGEAEA-UHFFFAOYSA-N -1 3 291.347 1.560 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)C[C@H]2CCCS(=O)(=O)C2)n1 ZINC000294172790 198938293 /nfs/dbraw/zinc/93/82/93/198938293.db2.gz JFRSERWCXFXXJJ-SNVBAGLBSA-N -1 3 298.364 1.249 10 0 CDAEHM CC1(CN=c2cc(-c3ccccc3)n3[n-]cnc3n2)COC1 ZINC000631117430 357634021 /nfs/dbraw/zinc/63/40/21/357634021.db2.gz NAYOKEYXGJVIOE-UHFFFAOYSA-N -1 3 295.346 1.662 10 0 CDAEHM CC[C@H]1CCCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000407992815 357731861 /nfs/dbraw/zinc/73/18/61/357731861.db2.gz VDHQAZYVPNBJBG-JTQLQIEISA-N -1 3 278.356 1.510 10 0 CDAEHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cscn2)CCO1 ZINC000566170221 358268939 /nfs/dbraw/zinc/26/89/39/358268939.db2.gz MODJBGIPPLWLIU-ZJUUUORDSA-N -1 3 290.410 1.627 10 0 CDAEHM Cc1ncsc1CN1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000582122164 358286626 /nfs/dbraw/zinc/28/66/26/358286626.db2.gz DAKXLZQNXZRWRL-WPRPVWTQSA-N -1 3 254.355 1.994 10 0 CDAEHM COc1ccc(C(=O)N[C@@H]2C[C@H](C)O[C@@H]2C)c([O-])c1 ZINC000384912394 358337754 /nfs/dbraw/zinc/33/77/54/358337754.db2.gz OSADJQCPPFYQSU-YGOYTEALSA-N -1 3 265.309 1.697 10 0 CDAEHM CCc1nc(C2([N-]C(=O)C(F)F)CCCC2)no1 ZINC000194722809 358389043 /nfs/dbraw/zinc/38/90/43/358389043.db2.gz GJWNZUJUJWBIES-UHFFFAOYSA-N -1 3 259.256 1.783 10 0 CDAEHM [O-]c1cc2n[nH]cc2cc1I ZINC000089197101 358395209 /nfs/dbraw/zinc/39/52/09/358395209.db2.gz KRMOKSJPLNOEDW-UHFFFAOYSA-N -1 3 260.034 1.873 10 0 CDAEHM O=c1cc2[n-][nH]cc-2cc1I ZINC000089197101 358395212 /nfs/dbraw/zinc/39/52/12/358395212.db2.gz KRMOKSJPLNOEDW-UHFFFAOYSA-N -1 3 260.034 1.873 10 0 CDAEHM O=C([N-][C@H]1CCN(Cc2ccc(F)cc2)C1=O)C(F)F ZINC000194898934 358398302 /nfs/dbraw/zinc/39/83/02/358398302.db2.gz DUIZJAAXQZLEKE-JTQLQIEISA-N -1 3 286.253 1.308 10 0 CDAEHM COc1cccc(C(=O)N2C[C@H](C)C(O)[C@@H](C)C2)c1[O-] ZINC000618263224 359423468 /nfs/dbraw/zinc/42/34/68/359423468.db2.gz DIKJKHONZSOCRV-UWVGGRQHSA-N -1 3 279.336 1.490 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)[C@@H](C)c2ccnn2C)n1 ZINC000421893191 359496517 /nfs/dbraw/zinc/49/65/17/359496517.db2.gz LXMGBCIFIIRVMH-VIFPVBQESA-N -1 3 260.297 1.571 10 0 CDAEHM Cc1ccc(C(=O)NCC[C@@H](C)[S@](C)=O)c([O-])c1C ZINC000158180273 237124705 /nfs/dbraw/zinc/12/47/05/237124705.db2.gz HZUZTAUWLVXNJA-GIGQVBGESA-N -1 3 283.393 1.896 10 0 CDAEHM COc1nnc(NC(=O)c2ccc3ncccc3c2)[n-]1 ZINC000158191695 237126325 /nfs/dbraw/zinc/12/63/25/237126325.db2.gz HTXBAAKVEATDED-UHFFFAOYSA-N -1 3 269.264 1.614 10 0 CDAEHM COc1nc(NC(=O)c2ccc3ncccc3c2)n[n-]1 ZINC000158191695 237126334 /nfs/dbraw/zinc/12/63/34/237126334.db2.gz HTXBAAKVEATDED-UHFFFAOYSA-N -1 3 269.264 1.614 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc3ncccc3c2)n1 ZINC000158191695 237126345 /nfs/dbraw/zinc/12/63/45/237126345.db2.gz HTXBAAKVEATDED-UHFFFAOYSA-N -1 3 269.264 1.614 10 0 CDAEHM Cc1cc(C)c(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)o1 ZINC000297616017 200242383 /nfs/dbraw/zinc/24/23/83/200242383.db2.gz ATSSNDGTEGZVEC-UHFFFAOYSA-N -1 3 289.295 1.159 10 0 CDAEHM Cc1cc(C)c(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)o1 ZINC000297616017 200242385 /nfs/dbraw/zinc/24/23/85/200242385.db2.gz ATSSNDGTEGZVEC-UHFFFAOYSA-N -1 3 289.295 1.159 10 0 CDAEHM Cc1cc(C)c(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)o1 ZINC000297616017 200242387 /nfs/dbraw/zinc/24/23/87/200242387.db2.gz ATSSNDGTEGZVEC-UHFFFAOYSA-N -1 3 289.295 1.159 10 0 CDAEHM Cc1ccccc1CC(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297720906 200268113 /nfs/dbraw/zinc/26/81/13/200268113.db2.gz LMHMKDKSBAQYHI-UHFFFAOYSA-N -1 3 299.334 1.187 10 0 CDAEHM Cc1ccccc1CC(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297720906 200268114 /nfs/dbraw/zinc/26/81/14/200268114.db2.gz LMHMKDKSBAQYHI-UHFFFAOYSA-N -1 3 299.334 1.187 10 0 CDAEHM Cc1ccccc1CC(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297720906 200268115 /nfs/dbraw/zinc/26/81/15/200268115.db2.gz LMHMKDKSBAQYHI-UHFFFAOYSA-N -1 3 299.334 1.187 10 0 CDAEHM CCc1cc(=O)[n-]c(CN(C)Cc2cnccn2)n1 ZINC000176897252 189013775 /nfs/dbraw/zinc/01/37/75/189013775.db2.gz XQNZSDZJMPLOEW-UHFFFAOYSA-N -1 3 259.313 1.167 10 0 CDAEHM CCN1C[C@@H](C)N(C(=O)c2cccc([O-])c2)C[C@H]1C ZINC000335427675 360166491 /nfs/dbraw/zinc/16/64/91/360166491.db2.gz MVYMFMOZGKTYIX-VXGBXAGGSA-N -1 3 262.353 1.947 10 0 CDAEHM CSCC(C)(C)C(=O)NCc1ncccc1[O-] ZINC000337564606 360248806 /nfs/dbraw/zinc/24/88/06/360248806.db2.gz PIBJZWZLCQCSLK-UHFFFAOYSA-N -1 3 254.355 1.793 10 0 CDAEHM O=C(NCCc1cccc2[nH]ccc21)c1c[n-]nn1 ZINC000337645710 360310813 /nfs/dbraw/zinc/31/08/13/360310813.db2.gz HIKLPGQWUBOZJU-UHFFFAOYSA-N -1 3 255.281 1.259 10 0 CDAEHM O=C(NCCc1cccc2[nH]ccc21)c1cnn[n-]1 ZINC000337645710 360310814 /nfs/dbraw/zinc/31/08/14/360310814.db2.gz HIKLPGQWUBOZJU-UHFFFAOYSA-N -1 3 255.281 1.259 10 0 CDAEHM O=C(NCCc1cccc2[nH]ccc21)c1cn[n-]n1 ZINC000337645710 360310816 /nfs/dbraw/zinc/31/08/16/360310816.db2.gz HIKLPGQWUBOZJU-UHFFFAOYSA-N -1 3 255.281 1.259 10 0 CDAEHM CSc1nnc(NC(=O)C(=O)c2ccc(F)cc2)[n-]1 ZINC000348736142 360539809 /nfs/dbraw/zinc/53/98/09/360539809.db2.gz RZAGQRZQHZZFSQ-UHFFFAOYSA-N -1 3 280.284 1.487 10 0 CDAEHM CSc1n[n-]c(NC(=O)C(=O)c2ccc(F)cc2)n1 ZINC000348736142 360539813 /nfs/dbraw/zinc/53/98/13/360539813.db2.gz RZAGQRZQHZZFSQ-UHFFFAOYSA-N -1 3 280.284 1.487 10 0 CDAEHM CSc1nc(NC(=O)C(=O)c2ccc(F)cc2)n[n-]1 ZINC000348736142 360539818 /nfs/dbraw/zinc/53/98/18/360539818.db2.gz RZAGQRZQHZZFSQ-UHFFFAOYSA-N -1 3 280.284 1.487 10 0 CDAEHM C[C@H](CN(C)c1ccnc(C2CC2)n1)c1nnn[n-]1 ZINC000129862443 360889204 /nfs/dbraw/zinc/88/92/04/360889204.db2.gz DXHOENVCTQKLGE-MRVPVSSYSA-N -1 3 259.317 1.107 10 0 CDAEHM C[C@H](CN(C)c1ccnc(C2CC2)n1)c1nn[n-]n1 ZINC000129862443 360889208 /nfs/dbraw/zinc/88/92/08/360889208.db2.gz DXHOENVCTQKLGE-MRVPVSSYSA-N -1 3 259.317 1.107 10 0 CDAEHM C[C@@H](CN=c1[n-]c(C(N)=O)cs1)c1ccccc1 ZINC000432135298 361112097 /nfs/dbraw/zinc/11/20/97/361112097.db2.gz ZLEIMUZLTHHYBU-VIFPVBQESA-N -1 3 261.350 1.880 10 0 CDAEHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1CC12CC2 ZINC000643332575 361197169 /nfs/dbraw/zinc/19/71/69/361197169.db2.gz SABBPSSXQJHOKC-QMMMGPOBSA-N -1 3 255.281 1.605 10 0 CDAEHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1CC12CC2 ZINC000643332575 361197174 /nfs/dbraw/zinc/19/71/74/361197174.db2.gz SABBPSSXQJHOKC-QMMMGPOBSA-N -1 3 255.281 1.605 10 0 CDAEHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1CC12CC2 ZINC000643332575 361197177 /nfs/dbraw/zinc/19/71/77/361197177.db2.gz SABBPSSXQJHOKC-QMMMGPOBSA-N -1 3 255.281 1.605 10 0 CDAEHM CCCc1nc(=NC(=O)N[C@H]2CCN(C)[C@@H](C)C2)s[n-]1 ZINC000350859577 361270159 /nfs/dbraw/zinc/27/01/59/361270159.db2.gz BESQOHXCLKDHLA-UWVGGRQHSA-N -1 3 297.428 1.517 10 0 CDAEHM CCCc1nc(=NC(=O)N(CCN(C)C)C(C)C)s[n-]1 ZINC000350870744 361302794 /nfs/dbraw/zinc/30/27/94/361302794.db2.gz SQXHWYBMIXRIMW-UHFFFAOYSA-N -1 3 299.444 1.716 10 0 CDAEHM Cc1cccc([O-])c1NC(=O)c1cccn(C)c1=O ZINC000336586122 363783712 /nfs/dbraw/zinc/78/37/12/363783712.db2.gz RRTYJSDQVYMOKY-UHFFFAOYSA-N -1 3 258.277 1.652 10 0 CDAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CCO[C@H](CCF)C1 ZINC000629014586 361404193 /nfs/dbraw/zinc/40/41/93/361404193.db2.gz NNXZBKSTBNVJDY-SECBINFHSA-N -1 3 296.277 1.298 10 0 CDAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CCO[C@H](CCF)C1 ZINC000629014586 361404196 /nfs/dbraw/zinc/40/41/96/361404196.db2.gz NNXZBKSTBNVJDY-SECBINFHSA-N -1 3 296.277 1.298 10 0 CDAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CCO[C@H](CCF)C1 ZINC000629014586 361404199 /nfs/dbraw/zinc/40/41/99/361404199.db2.gz NNXZBKSTBNVJDY-SECBINFHSA-N -1 3 296.277 1.298 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCO[C@@H](CCF)C1 ZINC000629019939 361417329 /nfs/dbraw/zinc/41/73/29/361417329.db2.gz ZLTJYLVHVTUCPS-JTQLQIEISA-N -1 3 269.272 1.298 10 0 CDAEHM COc1cccc(C(=O)Nc2ncn(C(C)(C)C)n2)c1[O-] ZINC000436849220 361591196 /nfs/dbraw/zinc/59/11/96/361591196.db2.gz YNUPNMBDHRSNSM-UHFFFAOYSA-N -1 3 290.323 2.000 10 0 CDAEHM C[C@@H]1NCCN(C(=O)Cc2ccccc2C(=O)[O-])[C@H]1C ZINC000379456134 361679682 /nfs/dbraw/zinc/67/96/82/361679682.db2.gz OYBXAHVOCNPMQU-QWRGUYRKSA-N -1 3 276.336 1.136 10 0 CDAEHM CCN=c1[n-]c(C(=O)NCCOCC2CCC2)cs1 ZINC000568704874 294084124 /nfs/dbraw/zinc/08/41/24/294084124.db2.gz FJJUUSJSYUGLNE-UHFFFAOYSA-N -1 3 283.397 1.543 10 0 CDAEHM COc1cncc(S(=O)(=O)[N-]C[C@H](C)CC(F)F)c1 ZINC000645794595 361698713 /nfs/dbraw/zinc/69/87/13/361698713.db2.gz MNYWJABBAQTMSZ-MRVPVSSYSA-N -1 3 294.323 1.660 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCN(C(=O)C(C)C)CC2)n1 ZINC000268258505 364018772 /nfs/dbraw/zinc/01/87/72/364018772.db2.gz WQHYAVMZNKTAAU-UHFFFAOYSA-N -1 3 292.383 1.045 10 0 CDAEHM COc1cccc(C[C@H](C)NC(=O)c2c[n-]nn2)c1 ZINC000352869237 364090510 /nfs/dbraw/zinc/09/05/10/364090510.db2.gz KXWZBCVJPIQARK-VIFPVBQESA-N -1 3 260.297 1.174 10 0 CDAEHM COc1cccc(C[C@H](C)NC(=O)c2cnn[n-]2)c1 ZINC000352869237 364090515 /nfs/dbraw/zinc/09/05/15/364090515.db2.gz KXWZBCVJPIQARK-VIFPVBQESA-N -1 3 260.297 1.174 10 0 CDAEHM COc1cccc(C[C@H](C)NC(=O)c2cn[n-]n2)c1 ZINC000352869237 364090518 /nfs/dbraw/zinc/09/05/18/364090518.db2.gz KXWZBCVJPIQARK-VIFPVBQESA-N -1 3 260.297 1.174 10 0 CDAEHM C[C@@H]1CCC[C@H](C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)C1 ZINC000248671115 364097097 /nfs/dbraw/zinc/09/70/97/364097097.db2.gz DZRNYTVEUDMRKS-ZETOZRRWSA-N -1 3 293.367 1.013 10 0 CDAEHM Cc1nc(CCNc2nc3nncc-3c(O)[n-]2)cs1 ZINC000301160729 364162290 /nfs/dbraw/zinc/16/22/90/364162290.db2.gz FQQPTIJFDBAHNL-UHFFFAOYSA-N -1 3 276.325 1.478 10 0 CDAEHM O=S(=O)([N-]c1ccncc1)c1ccc2c(c1)CCN2 ZINC000034955599 364266354 /nfs/dbraw/zinc/26/63/54/364266354.db2.gz ROQVXEWLUXXURB-UHFFFAOYSA-N -1 3 275.333 1.850 10 0 CDAEHM Cc1cccc2c(=O)c(C(=O)N3CC4(C3)CCCO4)c[n-]c12 ZINC000630022337 364436384 /nfs/dbraw/zinc/43/63/84/364436384.db2.gz DZCSPSWOBUDUIE-UHFFFAOYSA-N -1 3 298.342 1.842 10 0 CDAEHM C[C@]1(c2ccccc2)CCN(CCOCC(=O)[O-])C1 ZINC000568992373 294137044 /nfs/dbraw/zinc/13/70/44/294137044.db2.gz HBBULOKLVAFAHU-HNNXBMFYSA-N -1 3 263.337 1.751 10 0 CDAEHM COC[C@H](CCO)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000270386402 364576733 /nfs/dbraw/zinc/57/67/33/364576733.db2.gz FKUKQFDCNHWTTD-ZDUSSCGKSA-N -1 3 293.363 1.398 10 0 CDAEHM COC(=O)c1coc(C(=O)[N-]c2ncc(C)o2)c1 ZINC000352909026 364631098 /nfs/dbraw/zinc/63/10/98/364631098.db2.gz CJZZVLRMHQFVQG-UHFFFAOYSA-N -1 3 250.210 1.615 10 0 CDAEHM CO[C@@H](C)[C@@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412376232 240182393 /nfs/dbraw/zinc/18/23/93/240182393.db2.gz XALSXGYQQKOGOQ-SCZZXKLOSA-N -1 3 265.309 1.748 10 0 CDAEHM CC1(C)OCC[C@H]1NC(=O)Cc1cncc([O-])c1 ZINC000569258610 294182327 /nfs/dbraw/zinc/18/23/27/294182327.db2.gz UZZNNBMVKQRFSP-LLVKDONJSA-N -1 3 250.298 1.013 10 0 CDAEHM O=C(NCc1ncccc1[O-])NC[C@H]1CCCCO1 ZINC000471726199 364964634 /nfs/dbraw/zinc/96/46/34/364964634.db2.gz LUMHHNGFHRGBMC-SNVBAGLBSA-N -1 3 265.313 1.156 10 0 CDAEHM C[C@H](CNc1nc(Br)cs1)c1nnn[n-]1 ZINC000307011390 364985568 /nfs/dbraw/zinc/98/55/68/364985568.db2.gz JSMYQWJZBFHRDU-SCSAIBSYSA-N -1 3 289.162 1.634 10 0 CDAEHM C[C@H](CNc1nc(Br)cs1)c1nn[n-]n1 ZINC000307011390 364985570 /nfs/dbraw/zinc/98/55/70/364985570.db2.gz JSMYQWJZBFHRDU-SCSAIBSYSA-N -1 3 289.162 1.634 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000110312182 365037813 /nfs/dbraw/zinc/03/78/13/365037813.db2.gz QWFFMGKZCLRTOP-LBPRGKRZSA-N -1 3 290.363 1.711 10 0 CDAEHM C[C@H](N=c1ncnc2[nH][n-]cc1-2)c1nnc2n1CCCCC2 ZINC000353451184 365218166 /nfs/dbraw/zinc/21/81/66/365218166.db2.gz RERDSNKATMCKRE-VIFPVBQESA-N -1 3 298.354 1.217 10 0 CDAEHM C[C@H]1C[C@@H]1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000643039548 365455484 /nfs/dbraw/zinc/45/54/84/365455484.db2.gz ZWCRQNRPJFWUJU-YUMQZZPRSA-N -1 3 275.308 1.177 10 0 CDAEHM COc1ccc(CC(=O)NCc2ncccc2[O-])nc1 ZINC000357464812 367014962 /nfs/dbraw/zinc/01/49/62/367014962.db2.gz IVCLYCBMEQVPPW-UHFFFAOYSA-N -1 3 273.292 1.050 10 0 CDAEHM CN(C)c1nccc(CNC(=O)c2cccc([O-])c2)n1 ZINC000357511599 367038969 /nfs/dbraw/zinc/03/89/69/367038969.db2.gz DGDSHWODQPMGSG-UHFFFAOYSA-N -1 3 272.308 1.178 10 0 CDAEHM Cc1ccc([O-])c(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)n1 ZINC000279683323 367092105 /nfs/dbraw/zinc/09/21/05/367092105.db2.gz ANKSSYQEIGMLPY-XEZPLFJOSA-N -1 3 292.379 1.864 10 0 CDAEHM CCC[C@@H](C)C(=O)NCCNC(=O)c1cccc([O-])c1 ZINC000293911658 370855035 /nfs/dbraw/zinc/85/50/35/370855035.db2.gz DLECQXKRCICIGM-LLVKDONJSA-N -1 3 278.352 1.674 10 0 CDAEHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(N2CCC2=O)cc1 ZINC000282160498 367752021 /nfs/dbraw/zinc/75/20/21/367752021.db2.gz GTJUFDLGMYQKMA-SNVBAGLBSA-N -1 3 298.364 1.200 10 0 CDAEHM C[C@]1(Br)C[C@@H]1C(=O)[N-]OCc1cccnc1 ZINC000528874209 368015615 /nfs/dbraw/zinc/01/56/15/368015615.db2.gz GCLBPLPOPDGJEI-KOLCDFICSA-N -1 3 285.141 1.803 10 0 CDAEHM C[C@H](CN(C)C(=O)CN1CC(=O)[N-]C1=O)C1CCCCC1 ZINC000530037825 368127974 /nfs/dbraw/zinc/12/79/74/368127974.db2.gz FJAUXDAUXCUULL-LLVKDONJSA-N -1 3 295.383 1.213 10 0 CDAEHM COc1cc([N-]S(C)(=O)=O)c(OC)c(C)c1OC ZINC000530318467 368165571 /nfs/dbraw/zinc/16/55/71/368165571.db2.gz GLDJFMXAPNDQBR-UHFFFAOYSA-N -1 3 275.326 1.392 10 0 CDAEHM CC(C)c1nn(C)cc1N=c1ncnc2[nH][n-]cc1-2 ZINC000360276460 368207672 /nfs/dbraw/zinc/20/76/72/368207672.db2.gz XBOOUNJPAHBKHO-UHFFFAOYSA-N -1 3 257.301 1.327 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)Cc1ccon1)c1nccs1 ZINC000360464530 368307667 /nfs/dbraw/zinc/30/76/67/368307667.db2.gz BWEJQHPHYQFZBD-SECBINFHSA-N -1 3 287.366 1.702 10 0 CDAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000571259062 294397203 /nfs/dbraw/zinc/39/72/03/294397203.db2.gz PPBYNYOGBPBXRB-PEGIJTEDSA-N -1 3 269.370 1.541 10 0 CDAEHM CCc1cccc(C(=O)NC(C)(C)[C@@H](C)O)c1[O-] ZINC000541993577 368713745 /nfs/dbraw/zinc/71/37/45/368713745.db2.gz KZAYGFHKSHSRIR-SECBINFHSA-N -1 3 251.326 1.844 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCOC[C@H]2CC(F)F)n1 ZINC000286602286 368902654 /nfs/dbraw/zinc/90/26/54/368902654.db2.gz WQEDIARGLZDRMK-SNVBAGLBSA-N -1 3 287.310 1.601 10 0 CDAEHM O=C(NCCN1CCC1)c1ccc2c(c1[O-])CCCC2 ZINC000543579321 368932510 /nfs/dbraw/zinc/93/25/10/368932510.db2.gz UCPFGISBRAGWEZ-UHFFFAOYSA-N -1 3 274.364 1.707 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCCCn2ccnc2)o1 ZINC000543728228 368961470 /nfs/dbraw/zinc/96/14/70/368961470.db2.gz SJLFTLAFSYPTCR-UHFFFAOYSA-N -1 3 283.353 1.543 10 0 CDAEHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C)o1)C(=O)OC ZINC000330658625 203088091 /nfs/dbraw/zinc/08/80/91/203088091.db2.gz QPKCMOQDMZAVAF-LLVKDONJSA-N -1 3 275.326 1.208 10 0 CDAEHM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1nc(C)ccc1[O-] ZINC000276112758 193217523 /nfs/dbraw/zinc/21/75/23/193217523.db2.gz HYJUXHNKZHHREM-JMSVASOKSA-N -1 3 290.363 1.869 10 0 CDAEHM COc1cc(=NC(=O)[C@H](C)c2ccccc2)[n-]n1C ZINC000547493412 369568105 /nfs/dbraw/zinc/56/81/05/369568105.db2.gz OFOJPAUFEJIIKH-SNVBAGLBSA-N -1 3 259.309 1.593 10 0 CDAEHM COc1cc(=NC(=O)CCc2cccc(OC)c2)[n-]n1C ZINC000547492506 369568457 /nfs/dbraw/zinc/56/84/57/369568457.db2.gz TVAORRINRRQCDR-UHFFFAOYSA-N -1 3 289.335 1.431 10 0 CDAEHM COc1cc(=NC(=O)c2cccc3c2CCC3)[n-]n1C ZINC000547493303 369568700 /nfs/dbraw/zinc/56/87/00/369568700.db2.gz ZHLYWDZYETVBDA-UHFFFAOYSA-N -1 3 271.320 1.592 10 0 CDAEHM COc1cc(=NC(=O)CCc2ccccc2O)[n-]n1C ZINC000547815688 369653885 /nfs/dbraw/zinc/65/38/85/369653885.db2.gz XQALQJBPOAJWHX-UHFFFAOYSA-N -1 3 275.308 1.128 10 0 CDAEHM O=S(=O)([N-]Cc1cnc(Cl)s1)[C@@H]1CCOC1 ZINC000289899811 369710604 /nfs/dbraw/zinc/71/06/04/369710604.db2.gz PQUAXMZVLUHSNB-SSDOTTSWSA-N -1 3 282.774 1.005 10 0 CDAEHM O=C(CC[C@@H]1CCCO1)NCc1ncccc1[O-] ZINC000331021321 203473216 /nfs/dbraw/zinc/47/32/16/203473216.db2.gz PMECSYLMOCBHKP-JTQLQIEISA-N -1 3 250.298 1.363 10 0 CDAEHM COc1cc(=NC(=O)[C@@H](C)Oc2ccccc2F)[n-]n1C ZINC000548144375 369768664 /nfs/dbraw/zinc/76/86/64/369768664.db2.gz QHMXCFMLBCEGLT-SECBINFHSA-N -1 3 293.298 1.396 10 0 CDAEHM COc1cc(=NC(=O)CCc2cccc(C)c2)[n-]n1C ZINC000548145449 369768787 /nfs/dbraw/zinc/76/87/87/369768787.db2.gz UAZPKBIPDYIAHA-UHFFFAOYSA-N -1 3 273.336 1.730 10 0 CDAEHM CO[C@]1(c2nc(-c3ccc([O-])cc3)no2)CCOC1 ZINC000276557178 193380102 /nfs/dbraw/zinc/38/01/02/193380102.db2.gz FXPWRUCYMXIKGA-CYBMUJFWSA-N -1 3 262.265 1.704 10 0 CDAEHM COc1cc(=NC(=O)N(C)Cc2ccoc2C)[n-]n1C ZINC000548166455 369775044 /nfs/dbraw/zinc/77/50/44/369775044.db2.gz UZMLWJJCFNHAFC-UHFFFAOYSA-N -1 3 278.312 1.416 10 0 CDAEHM COc1cc(=NC(=O)N2CCC[C@@]2(C)CCCO)[n-]n1C ZINC000548167390 369775061 /nfs/dbraw/zinc/77/50/61/369775061.db2.gz OLYKUOPMKAWXGR-AWEZNQCLSA-N -1 3 296.371 1.010 10 0 CDAEHM COc1cc(=NC(=O)CCO[C@H](C)CC(C)C)[n-]n1C ZINC000548189776 369780580 /nfs/dbraw/zinc/78/05/80/369780580.db2.gz NSBSLGPORGWQFJ-LLVKDONJSA-N -1 3 283.372 1.630 10 0 CDAEHM COc1cc(=NC(=O)c2cccc(C(C)C)n2)[n-]n1C ZINC000548517485 369883859 /nfs/dbraw/zinc/88/38/59/369883859.db2.gz YJYZTZRDLDTTHN-UHFFFAOYSA-N -1 3 274.324 1.621 10 0 CDAEHM C[C@H]1CCN(Cc2cnn(CC(F)F)c2)C[C@H]1C(=O)[O-] ZINC000564970253 370313233 /nfs/dbraw/zinc/31/32/33/370313233.db2.gz GZUDGTARRUWDDS-GXSJLCMTSA-N -1 3 287.310 1.691 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2Cc3ccccc3NC(=O)C2)n1 ZINC000565174928 370369824 /nfs/dbraw/zinc/36/98/24/370369824.db2.gz WNXFXTHYPGKBOZ-UHFFFAOYSA-N -1 3 298.346 1.699 10 0 CDAEHM CC(C)[C@](C)(CO)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000565901413 370563826 /nfs/dbraw/zinc/56/38/26/370563826.db2.gz NUXZXZIRPZZZRO-AWEZNQCLSA-N -1 3 279.340 1.196 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)C[C@@H]2CCCCC(=O)N2)n1 ZINC000377111238 371435523 /nfs/dbraw/zinc/43/55/23/371435523.db2.gz HHFJUBUYSGHPGL-JTQLQIEISA-N -1 3 277.324 1.483 10 0 CDAEHM CCC[C@@H](C)[C@H](CO)NC(=O)N=c1cc2ccccn2[n-]1 ZINC000573376524 371521159 /nfs/dbraw/zinc/52/11/59/371521159.db2.gz TVPSLPCCQRUFNU-YPMHNXCESA-N -1 3 290.367 1.675 10 0 CDAEHM CC(C)(C)c1cc(Cn2cc(Cl)c(=O)[n-]c2=O)no1 ZINC000295958563 371536385 /nfs/dbraw/zinc/53/63/85/371536385.db2.gz JHEZWDZBCPWTLK-UHFFFAOYSA-N -1 3 283.715 1.936 10 0 CDAEHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1cscn1 ZINC000573603874 371595916 /nfs/dbraw/zinc/59/59/16/371595916.db2.gz WXYLATJVTDNZHH-QMMMGPOBSA-N -1 3 278.399 1.219 10 0 CDAEHM C[C@@H]1CCN(C(=O)C[C@@H](N)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000573744183 371647064 /nfs/dbraw/zinc/64/70/64/371647064.db2.gz 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CDAEHM COc1ccc(-c2cnc3nc[n-]c(=O)c3n2)cc1 ZINC000008829015 170357069 /nfs/dbraw/zinc/35/70/69/170357069.db2.gz XBLJKEBOGZCRSS-UHFFFAOYSA-N -1 3 254.249 1.801 10 0 CDAEHM COc1cc(C)c(NC([O-])=NOCC(C)(C)O)cc1OC ZINC000284401280 196047217 /nfs/dbraw/zinc/04/72/17/196047217.db2.gz BGIMYCSIJGGDQQ-UHFFFAOYSA-N -1 3 298.339 1.836 10 0 CDAEHM COc1cc(C)c(NC(=O)[N-]OCC(C)(C)O)cc1OC ZINC000284401280 196047218 /nfs/dbraw/zinc/04/72/18/196047218.db2.gz BGIMYCSIJGGDQQ-UHFFFAOYSA-N -1 3 298.339 1.836 10 0 CDAEHM CSc1ccccc1NC(=O)CNCCCC(=O)[O-] ZINC000035422618 172190800 /nfs/dbraw/zinc/19/08/00/172190800.db2.gz CFENSLLPPKOTIE-UHFFFAOYSA-N -1 3 282.365 1.801 10 0 CDAEHM CN(CCn1cc(C(=O)[O-])nn1)Cc1cccs1 ZINC000035717859 172372108 /nfs/dbraw/zinc/37/21/08/172372108.db2.gz GMOWAHGQMPRLTA-UHFFFAOYSA-N -1 3 266.326 1.170 10 0 CDAEHM Cc1oc(CN2C[C@@H]3COC[C@]3(C)C2)cc1C(=O)[O-] ZINC000656763636 413625087 /nfs/dbraw/zinc/62/50/87/413625087.db2.gz PRSMRQSDNQGDCJ-YGRLFVJLSA-N -1 3 265.309 1.755 10 0 CDAEHM 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Cc1ccc2c(=O)c(C(=O)NCCn3ccnc3)c[n-]c2n1 ZINC000077496412 177275228 /nfs/dbraw/zinc/27/52/28/177275228.db2.gz XITORIQRDUZEIH-UHFFFAOYSA-N -1 3 297.318 1.270 10 0 CDAEHM Cc1ccc2c([O-])c(C(=O)NCCn3ccnc3)cnc2n1 ZINC000077496412 177275229 /nfs/dbraw/zinc/27/52/29/177275229.db2.gz XITORIQRDUZEIH-UHFFFAOYSA-N -1 3 297.318 1.270 10 0 CDAEHM C[C@H](CCNC(=O)N[C@@H](C)CN1CCCC1)CCC(=O)[O-] ZINC000079074262 177428558 /nfs/dbraw/zinc/42/85/58/177428558.db2.gz VNLBSJUTLZYBAQ-STQMWFEESA-N -1 3 299.415 1.661 10 0 CDAEHM CCC[C@H](COC)[N-]S(=O)(=O)c1cc(N)cs1 ZINC000079734952 177546887 /nfs/dbraw/zinc/54/68/87/177546887.db2.gz TUDQOEJFAYNYOO-SECBINFHSA-N -1 3 278.399 1.424 10 0 CDAEHM NC(=S)[C@@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC000079862123 177571542 /nfs/dbraw/zinc/57/15/42/177571542.db2.gz XJZMMBLHZGHUED-JTQLQIEISA-N -1 3 250.323 1.187 10 0 CDAEHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(C)c(O)c1 ZINC000331239837 227166544 /nfs/dbraw/zinc/16/65/44/227166544.db2.gz KFCFNGMHSOSLFT-UHFFFAOYSA-N -1 3 273.354 1.867 10 0 CDAEHM O=[S@](Cc1cn(CC2CC2)nn1)c1cccc([O-])c1 ZINC000517891715 260315188 /nfs/dbraw/zinc/31/51/88/260315188.db2.gz XCXFSJMUGXXSEA-LJQANCHMSA-N -1 3 277.349 1.702 10 0 CDAEHM CC(=O)c1cnc([N-]C(=O)c2conc2C(C)(C)N)s1 ZINC000655437942 423839529 /nfs/dbraw/zinc/83/95/29/423839529.db2.gz IGTYPVLNRIVOSA-UHFFFAOYSA-N -1 3 294.336 1.780 10 0 CDAEHM CCc1cccc(C(=O)NCC[C@@]2(O)CCOC2)c1[O-] ZINC000652804092 424229895 /nfs/dbraw/zinc/22/98/95/424229895.db2.gz UFZWONYSADDSMV-OAHLLOKOSA-N -1 3 279.336 1.226 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)Cc2ccccn2)c1 ZINC000655650510 424291960 /nfs/dbraw/zinc/29/19/60/424291960.db2.gz FBZMQJACRDVQKR-NSHDSACASA-N -1 3 294.380 1.208 10 0 CDAEHM C[C@@H](NC(=O)c1c[n-]nn1)c1cc(F)ccc1F ZINC000048891228 424324908 /nfs/dbraw/zinc/32/49/08/424324908.db2.gz MVBQLFNBUYZLSG-ZCFIWIBFSA-N -1 3 252.224 1.574 10 0 CDAEHM C[C@@H](NC(=O)c1cnn[n-]1)c1cc(F)ccc1F ZINC000048891228 424324914 /nfs/dbraw/zinc/32/49/14/424324914.db2.gz MVBQLFNBUYZLSG-ZCFIWIBFSA-N -1 3 252.224 1.574 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283.275 1.563 10 0 CDAEHM C[C@H](NC(=O)c1c[n-]nn1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000438393876 278252252 /nfs/dbraw/zinc/25/22/52/278252252.db2.gz PEAPBSSVNYTDNS-VYUIOLGVSA-N -1 3 272.308 1.488 10 0 CDAEHM C[C@H](NC(=O)c1cnn[n-]1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000438393876 278252254 /nfs/dbraw/zinc/25/22/54/278252254.db2.gz PEAPBSSVNYTDNS-VYUIOLGVSA-N -1 3 272.308 1.488 10 0 CDAEHM C[C@H](NC(=O)c1cn[n-]n1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000438393876 278252255 /nfs/dbraw/zinc/25/22/55/278252255.db2.gz PEAPBSSVNYTDNS-VYUIOLGVSA-N -1 3 272.308 1.488 10 0 CDAEHM Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2c[n-]nn2)cc1 ZINC000119329763 279361387 /nfs/dbraw/zinc/36/13/87/279361387.db2.gz QWFOEYMIFCSVPU-SNVBAGLBSA-N -1 3 296.334 1.790 10 0 CDAEHM Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2cnn[n-]2)cc1 ZINC000119329763 279361388 /nfs/dbraw/zinc/36/13/88/279361388.db2.gz QWFOEYMIFCSVPU-SNVBAGLBSA-N -1 3 296.334 1.790 10 0 CDAEHM Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2cn[n-]n2)cc1 ZINC000119329763 279361389 /nfs/dbraw/zinc/36/13/89/279361389.db2.gz QWFOEYMIFCSVPU-SNVBAGLBSA-N -1 3 296.334 1.790 10 0 CDAEHM Cc1ccc(C(=O)NC[C@@]2(CCO)CCOC2)c([O-])c1C ZINC000119457288 279364360 /nfs/dbraw/zinc/36/43/60/279364360.db2.gz KZKKUTWQJRFHOW-MRXNPFEDSA-N -1 3 293.363 1.528 10 0 CDAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CCCCCO1 ZINC000328659157 280165707 /nfs/dbraw/zinc/16/57/07/280165707.db2.gz SEYCRVCBMITHOB-UHFFFAOYSA-N -1 3 264.260 1.655 10 0 CDAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CCCCCO1 ZINC000328659157 280165710 /nfs/dbraw/zinc/16/57/10/280165710.db2.gz SEYCRVCBMITHOB-UHFFFAOYSA-N -1 3 264.260 1.655 10 0 CDAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CCCCCO1 ZINC000328659157 280165712 /nfs/dbraw/zinc/16/57/12/280165712.db2.gz SEYCRVCBMITHOB-UHFFFAOYSA-N -1 3 264.260 1.655 10 0 CDAEHM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000451965766 281292006 /nfs/dbraw/zinc/29/20/06/281292006.db2.gz LAVDNEQHNQZULD-JTQLQIEISA-N -1 3 290.772 1.438 10 0 CDAEHM CCCCS(=O)(=O)[N-]Cc1nc([C@@H]2C[C@H]2C)no1 ZINC000545770288 289693776 /nfs/dbraw/zinc/69/37/76/289693776.db2.gz VYVZCQFXCJQFCO-RKDXNWHRSA-N -1 3 273.358 1.413 10 0 CDAEHM COc1cc(=NC(=O)c2cccnc2C2CC2)[n-]n1C ZINC000547494369 289780621 /nfs/dbraw/zinc/78/06/21/289780621.db2.gz NQYRIQYJEJDUFV-UHFFFAOYSA-N -1 3 272.308 1.375 10 0 CDAEHM COc1cc(=NC(=O)N2C[C@H]3CCCC[C@@H]3C2)[n-]n1C ZINC000547845490 289816095 /nfs/dbraw/zinc/81/60/95/289816095.db2.gz IBOFOELSJJVPKS-GHMZBOCLSA-N -1 3 278.356 1.505 10 0 CDAEHM COc1cc(=NC(=O)[C@H]2C[C@@H]2c2sccc2C)[n-]n1C ZINC000548143882 289849754 /nfs/dbraw/zinc/84/97/54/289849754.db2.gz REJFTSIJABFQCS-UWVGGRQHSA-N -1 3 291.376 1.963 10 0 CDAEHM COc1cc(=NC(=O)NCc2cccc(OC)c2)[n-]n1C ZINC000548494942 289895326 /nfs/dbraw/zinc/89/53/26/289895326.db2.gz RBKBPKKUKZEDQD-UHFFFAOYSA-N -1 3 290.323 1.181 10 0 CDAEHM Cc1ccc(C)c(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)c1 ZINC000555529889 290222335 /nfs/dbraw/zinc/22/23/35/290222335.db2.gz SOXZZJCIMHOZEV-CYBMUJFWSA-N -1 3 299.378 1.822 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2ccc(F)cc2)nc1=N 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COc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)c([O-])c1 ZINC000090908597 295093870 /nfs/dbraw/zinc/09/38/70/295093870.db2.gz QMNXTFYZCBHHIC-PHIMTYICSA-N -1 3 263.293 1.404 10 0 CDAEHM Cc1ccccc1CN(C)C(=O)CN(C)CCCC(=O)[O-] ZINC000042718042 302096562 /nfs/dbraw/zinc/09/65/62/302096562.db2.gz DEGFSRDNXSLBJO-UHFFFAOYSA-N -1 3 292.379 1.750 10 0 CDAEHM O=C(Cc1cncc([O-])c1)NCCC[C@@H]1CCCC[C@@H]1O ZINC000563411941 316299282 /nfs/dbraw/zinc/29/92/82/316299282.db2.gz MCCZKOZOEBNMPB-ZFWWWQNUSA-N -1 3 292.379 1.777 10 0 CDAEHM CC[C@@H](NC(=O)c1cccc2nn[n-]c21)[C@@H](O)C(F)F ZINC000563597616 316338067 /nfs/dbraw/zinc/33/80/67/316338067.db2.gz VEDRPQQBYBMWRK-GMSGAONNSA-N -1 3 284.266 1.092 10 0 CDAEHM CC[C@@H](NC(=O)c1cccc2[n-]nnc21)[C@@H](O)C(F)F ZINC000563597616 316338068 /nfs/dbraw/zinc/33/80/68/316338068.db2.gz VEDRPQQBYBMWRK-GMSGAONNSA-N -1 3 284.266 1.092 10 0 CDAEHM CC[C@@H](NC(=O)c1cccc2n[n-]nc21)[C@@H](O)C(F)F ZINC000563597616 316338069 /nfs/dbraw/zinc/33/80/69/316338069.db2.gz 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1.988 10 0 CDAEHM CCCC[C@H](CCC)OC(=O)CN1CC(=O)[N-]C1=O ZINC000732356529 575088020 /nfs/dbraw/zinc/08/80/20/575088020.db2.gz JHKUTDIKAKIIJP-JTQLQIEISA-N -1 3 270.329 1.440 10 0 CDAEHM COc1cc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C)cnc1Cl ZINC000767695799 576221788 /nfs/dbraw/zinc/22/17/88/576221788.db2.gz BGZVCZOMTLKNQD-SFYZADRCSA-N -1 3 290.772 1.678 10 0 CDAEHM CCOC(=O)[C@@H](NCc1nc(C)cc(=O)[n-]1)C(C)(C)C ZINC000761912706 576604989 /nfs/dbraw/zinc/60/49/89/576604989.db2.gz AXLMPSZHALMYLM-GFCCVEGCSA-N -1 3 281.356 1.558 10 0 CDAEHM CN(C)c1ncc(NC([O-])=NO[C@H]2CCCCO2)cn1 ZINC000763268570 576727786 /nfs/dbraw/zinc/72/77/86/576727786.db2.gz TXCOBGZMSHWRBC-JTQLQIEISA-N -1 3 281.316 1.122 10 0 CDAEHM CN(C)c1ncc(NC(=O)[N-]O[C@H]2CCCCO2)cn1 ZINC000763268570 576727788 /nfs/dbraw/zinc/72/77/88/576727788.db2.gz TXCOBGZMSHWRBC-JTQLQIEISA-N -1 3 281.316 1.122 10 0 CDAEHM COC(=O)[C@H](OC(=O)c1c([O-])cccc1F)C1CC1 ZINC000772596122 575726765 /nfs/dbraw/zinc/72/67/65/575726765.db2.gz ZBLSMGSQDRMFFU-LLVKDONJSA-N 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RDVIZJWAJMMCMV-SSJHQANKSA-N -1 3 264.281 1.819 10 0 CDAEHM COc1cc(C(=O)OCc2ccn(C)n2)ccc1[O-] ZINC000754841092 576918445 /nfs/dbraw/zinc/91/84/45/576918445.db2.gz LXGDCGHGYMEHRK-UHFFFAOYSA-N -1 3 262.265 1.491 10 0 CDAEHM C[C@@H](OC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccccc1F ZINC000751564697 577050721 /nfs/dbraw/zinc/05/07/21/577050721.db2.gz JCQHQDJCLDTOIN-XCBNKYQSSA-N -1 3 280.255 1.028 10 0 CDAEHM [O-]C(=NOCC(F)F)Nc1ccc(N2CCCC2)nc1 ZINC000758827418 577134796 /nfs/dbraw/zinc/13/47/96/577134796.db2.gz WKLZJVPFVDLNER-UHFFFAOYSA-N -1 3 286.282 2.000 10 0 CDAEHM O=C([N-]OCC(F)F)Nc1ccc(N2CCCC2)nc1 ZINC000758827418 577134798 /nfs/dbraw/zinc/13/47/98/577134798.db2.gz WKLZJVPFVDLNER-UHFFFAOYSA-N -1 3 286.282 2.000 10 0 CDAEHM C[C@H](CCC(=O)[O-])NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000909452777 619326583 /nfs/dbraw/zinc/32/65/83/619326583.db2.gz IVTATLLNXLIGRB-VWYCJHECSA-N -1 3 256.346 1.229 10 0 CDAEHM CC1(C)Cc2cccc(CN[C@@H]3CCO[C@@H]3C(=O)[O-])c2O1 ZINC000901922303 618345432 /nfs/dbraw/zinc/34/54/32/618345432.db2.gz RYIIYOCTSBFUBC-OCCSQVGLSA-N -1 3 291.347 1.732 10 0 CDAEHM Cc1c(C(=O)Nc2[n-]nc3cc(C)n(C)c(=O)c32)ccn1C ZINC000910648912 618375765 /nfs/dbraw/zinc/37/57/65/618375765.db2.gz OISSVWMADJVPDK-UHFFFAOYSA-N -1 3 299.334 1.469 10 0 CDAEHM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(Cl)nn1 ZINC000902010529 618487161 /nfs/dbraw/zinc/48/71/61/618487161.db2.gz GOJDBWKKCZLCAU-QRTLGDNMSA-N -1 3 281.743 1.815 10 0 CDAEHM CC1(C)CC[C@@H](Cc2nc(-c3cc(=O)[n-]cn3)no2)OC1 ZINC000896702263 620199436 /nfs/dbraw/zinc/19/94/36/620199436.db2.gz YGZYTNZIZLCDNP-VIFPVBQESA-N -1 3 290.323 1.980 10 0 CDAEHM COc1ccc(CCC(=O)[N-]OCCC2CC2)cn1 ZINC000897841612 621158023 /nfs/dbraw/zinc/15/80/23/621158023.db2.gz RZRAJQRRKSNWBH-UHFFFAOYSA-N -1 3 264.325 1.871 10 0 CDAEHM O=C(c1ccccc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898207249 621363543 /nfs/dbraw/zinc/36/35/43/621363543.db2.gz GWTTZLMRJOAJKR-LLVKDONJSA-N -1 3 257.293 1.745 10 0 CDAEHM O=C([C@H]1Cc2ccccc21)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898212476 621366105 /nfs/dbraw/zinc/36/61/05/621366105.db2.gz KEFVDKKWLAPUGG-YPMHNXCESA-N -1 3 283.331 1.771 10 0 CDAEHM O=C(COC1CCCC1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898211698 621366201 /nfs/dbraw/zinc/36/62/01/621366201.db2.gz STZPPCULMWLRAZ-SNVBAGLBSA-N -1 3 279.340 1.390 10 0 CDAEHM COC(=O)CCCCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898221586 621367593 /nfs/dbraw/zinc/36/75/93/621367593.db2.gz OJBBKTJZGULJME-SNVBAGLBSA-N -1 3 295.339 1.165 10 0 CDAEHM CCO[C@H](CC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)C(C)C ZINC000898214924 621367712 /nfs/dbraw/zinc/36/77/12/621367712.db2.gz BSRJGUGUGADCNA-DGCLKSJQSA-N -1 3 295.383 1.882 10 0 CDAEHM CC(=O)CCC(C)(C)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217369 621370095 /nfs/dbraw/zinc/37/00/95/621370095.db2.gz JPZCHQPVEYRRGU-NSHDSACASA-N -1 3 293.367 1.827 10 0 CDAEHM Cc1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)nc1 ZINC000898217695 621370844 /nfs/dbraw/zinc/37/08/44/621370844.db2.gz PXKXPOLBBIRDSV-SNVBAGLBSA-N -1 3 272.308 1.448 10 0 CDAEHM O=C(c1cnn(C2CC2)c1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898226651 621414208 /nfs/dbraw/zinc/41/42/08/621414208.db2.gz MLLSZPNPIGOSBV-SECBINFHSA-N -1 3 287.323 1.276 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)c2coc(C(F)F)c2)n1 ZINC000898258414 621422995 /nfs/dbraw/zinc/42/29/95/621422995.db2.gz PFLCYYMYHKMRQY-UHFFFAOYSA-N -1 3 283.234 1.951 10 0 CDAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1CCCC12CC2 ZINC000898743733 621853944 /nfs/dbraw/zinc/85/39/44/621853944.db2.gz SRPWXXDVPSWOOJ-MNOVXSKESA-N -1 3 263.341 1.195 10 0 CDAEHM O=C(NCCCc1c[n-][nH]c1=O)C1CCC(C2CC2)CC1 ZINC000898742070 621859763 /nfs/dbraw/zinc/85/97/63/621859763.db2.gz DDTDYQMYYWWPLA-JXQTWKCFSA-N -1 3 291.395 1.831 10 0 CDAEHM CN1C[C@H](O)C[C@]1(C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000901162765 623943598 /nfs/dbraw/zinc/94/35/98/623943598.db2.gz NUAFPSJTDCCTPL-NOZJJQNGSA-N -1 3 284.743 1.439 10 0 CDAEHM CCOc1cccc(CN2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])n1 ZINC000902555557 624944187 /nfs/dbraw/zinc/94/41/87/624944187.db2.gz ZUDCBWCGOMGOJM-SCRDCRAPSA-N -1 3 276.336 1.633 10 0 CDAEHM CC(C)COC[C@H](NCc1cccc2c1OCO2)C(=O)[O-] ZINC000904066928 626185074 /nfs/dbraw/zinc/18/50/74/626185074.db2.gz IRDKWGZVHKSBSC-LBPRGKRZSA-N -1 3 295.335 1.631 10 0 CDAEHM CC(C)C[C@@H](N)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000905293108 626722407 /nfs/dbraw/zinc/72/24/07/626722407.db2.gz SXHAQKAHBVIKED-MCIONIFRSA-N -1 3 290.363 1.789 10 0 CDAEHM O=C(C[C@@H]1C[C@H]1C1CC1)NCCCc1cc(=O)[nH][n-]1 ZINC000908230906 628083672 /nfs/dbraw/zinc/08/36/72/628083672.db2.gz CVSMZXFOTZCXEP-JQWIXIFHSA-N -1 3 263.341 1.195 10 0 CDAEHM CC(C)N1CCC[C@H]1C(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC000910315160 628986803 /nfs/dbraw/zinc/98/68/03/628986803.db2.gz FBEMLZIOCQNGDI-SWLSCSKDSA-N -1 3 282.384 1.619 10 0 CDAEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H]2C[C@@H](C)CO2)n1 ZINC000911808639 629539696 /nfs/dbraw/zinc/53/96/96/629539696.db2.gz FRQOKLHWDAIARK-PSASIEDQSA-N -1 3 279.340 1.267 10 0 CDAEHM C[C@H](C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)c1cnccn1 ZINC000911846981 629587330 /nfs/dbraw/zinc/58/73/30/629587330.db2.gz FZNPGFGJOUJGOP-VHSXEESVSA-N -1 3 287.323 1.025 10 0 CDAEHM Cc1ccc(C=CC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cn1 ZINC000911856111 629594792 /nfs/dbraw/zinc/59/47/92/629594792.db2.gz UMKOUZREKKSMOT-IHVVCDCBSA-N -1 3 298.346 1.848 10 0 CDAEHM CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911857070 629595595 /nfs/dbraw/zinc/59/55/95/629595595.db2.gz ZZSBDXJPMHKZHI-FIDNZITISA-N -1 3 279.340 1.102 10 0 CDAEHM O=C(NC12CCN(CC1)C2)c1ccc2ccc(O)cc2c1[O-] ZINC000913636305 630722776 /nfs/dbraw/zinc/72/27/76/630722776.db2.gz ASCKQHQDJARWIB-UHFFFAOYSA-N -1 3 298.342 1.829 10 0 CDAEHM COc1cccc([O-])c1C(=O)N1C[C@@H](O)CC(C)(C)C1 ZINC000913761993 630746790 /nfs/dbraw/zinc/74/67/90/630746790.db2.gz GIPHAJDBNMGLKK-JTQLQIEISA-N -1 3 279.336 1.634 10 0 CDAEHM C[C@H]1C[C@H]([N-]S(=O)(=O)CCCC(C)(F)F)C(=O)O1 ZINC000915657733 631788255 /nfs/dbraw/zinc/78/82/55/631788255.db2.gz XHIPJMWMSOWVRE-YUMQZZPRSA-N -1 3 285.312 1.045 10 0 CDAEHM COC(=O)c1cnc(SCCO[C@@H]2CCOC2)[n-]1 ZINC000917495973 632227488 /nfs/dbraw/zinc/22/74/88/632227488.db2.gz HTHUJXOAISFJHE-MRVPVSSYSA-N -1 3 272.326 1.094 10 0 CDAEHM COc1ccc2c(c1)C[C@H](CSCCc1nnn[n-]1)O2 ZINC000917858320 632291405 /nfs/dbraw/zinc/29/14/05/632291405.db2.gz CENRJBDUOOCNDF-LLVKDONJSA-N -1 3 292.364 1.488 10 0 CDAEHM COc1ccc2c(c1)C[C@H](CSCCc1nn[n-]n1)O2 ZINC000917858320 632291409 /nfs/dbraw/zinc/29/14/09/632291409.db2.gz CENRJBDUOOCNDF-LLVKDONJSA-N -1 3 292.364 1.488 10 0 CDAEHM CC[C@H](C)CS(=O)(=O)[N-][C@H]1CCCCC1(OC)OC ZINC000918056822 632322394 /nfs/dbraw/zinc/32/23/94/632322394.db2.gz WJUFXZKKYOZZEZ-RYUDHWBXSA-N -1 3 293.429 1.884 10 0 CDAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H](C)C1CC1 ZINC000920043934 632712037 /nfs/dbraw/zinc/71/20/37/632712037.db2.gz NPBHNDYJKOHUEG-SSDOTTSWSA-N -1 3 291.804 1.706 10 0 CDAEHM O=S(=O)(CC1CC1)[N-][C@H]1c2ccccc2OC[C@@H]1F ZINC000921319174 632919641 /nfs/dbraw/zinc/91/96/41/632919641.db2.gz KOVRZZZTZXVSAK-AAEUAGOBSA-N -1 3 285.340 1.788 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@]2(C)CCCCO2)o1 ZINC000921676281 633151051 /nfs/dbraw/zinc/15/10/51/633151051.db2.gz SLIJNHOBSXJLFL-LBPRGKRZSA-N -1 3 273.354 1.826 10 0 CDAEHM COc1cncc(C(=O)Nc2cccc(C(C)=O)c2[O-])n1 ZINC001625497227 1165911191 /nfs/dbraw/zinc/91/11/91/1165911191.db2.gz VDKAUZIIIRJZJM-UHFFFAOYSA-N -1 3 287.275 1.646 10 0 CDAEHM COCCCCN(C)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001630184931 1166189574 /nfs/dbraw/zinc/18/95/74/1166189574.db2.gz ROWUUBXBGATPNU-UHFFFAOYSA-N -1 3 281.356 1.227 10 0 CDAEHM COC(=O)c1ccc(C(=O)Nc2cnn3ccccc23)[n-]1 ZINC001630778651 1166232796 /nfs/dbraw/zinc/23/27/96/1166232796.db2.gz QLTFRCWWQZGCPJ-UHFFFAOYSA-N -1 3 284.275 1.701 10 0 CDAEHM O=C(NCc1noc2cc(F)ccc12)c1cc(=O)[n-]cn1 ZINC001636432146 1166675357 /nfs/dbraw/zinc/67/53/57/1166675357.db2.gz GMLNMJICAFCGHT-UHFFFAOYSA-N -1 3 288.238 1.393 10 0 CDAEHM Cc1conc1CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC001638158309 1166825229 /nfs/dbraw/zinc/82/52/29/1166825229.db2.gz PJQNUXRMPSZHHP-UHFFFAOYSA-N -1 3 275.243 1.323 10 0 CDAEHM Cc1ccc(C(=O)NC(C)(C)c2ncon2)c([O-])c1 ZINC001639444169 1166939094 /nfs/dbraw/zinc/93/90/94/1166939094.db2.gz ZNMAPSMSBAKQGK-UHFFFAOYSA-N -1 3 261.281 1.749 10 0 CDAEHM CCc1cccc(NC(=O)c2cc(=O)[n-]cn2)c1O ZINC001645942693 1167578460 /nfs/dbraw/zinc/57/84/60/1167578460.db2.gz GJTHDTMJBZOKRY-UHFFFAOYSA-N -1 3 259.265 1.703 10 0 CDAEHM CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(=O)[O-])ccn1 ZINC001646259568 1167727863 /nfs/dbraw/zinc/72/78/63/1167727863.db2.gz KEYLDQULHGOYQN-NWDGAFQWSA-N -1 3 289.335 1.089 10 0 CDAEHM O=C(NCCCNc1cccc(F)c1)c1cc(=O)[n-]cn1 ZINC001566812026 1168430582 /nfs/dbraw/zinc/43/05/82/1168430582.db2.gz GECTZKOAPSNRMI-UHFFFAOYSA-N -1 3 290.298 1.553 10 0 CDAEHM c1nc2c(c(N3CCC(c4nnn[n-]4)CC3)n1)CCCC2 ZINC001650080771 1169697621 /nfs/dbraw/zinc/69/76/21/1169697621.db2.gz AEWCTRURNZDGIQ-UHFFFAOYSA-N -1 3 285.355 1.253 10 0 CDAEHM c1nc2c(c(N3CCC(c4nn[n-]n4)CC3)n1)CCCC2 ZINC001650080771 1169697626 /nfs/dbraw/zinc/69/76/26/1169697626.db2.gz AEWCTRURNZDGIQ-UHFFFAOYSA-N -1 3 285.355 1.253 10 0 CDAEHM C=C/C=C\CC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001653312100 1171536809 /nfs/dbraw/zinc/53/68/09/1171536809.db2.gz BBBMIQQYNCEWGN-DLRQAJBASA-N -1 3 274.324 1.009 10 0 CDAEHM CCOc1nnc(NC(=O)c2ccc(OC)c(Cl)n2)[n-]1 ZINC001587743987 1172997353 /nfs/dbraw/zinc/99/73/53/1172997353.db2.gz IZPCXXPPJRZDKV-UHFFFAOYSA-N -1 3 297.702 1.513 10 0 CDAEHM CCOc1nc(NC(=O)c2ccc(OC)c(Cl)n2)n[n-]1 ZINC001587743987 1172997357 /nfs/dbraw/zinc/99/73/57/1172997357.db2.gz IZPCXXPPJRZDKV-UHFFFAOYSA-N -1 3 297.702 1.513 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2ccc(OC)c(Cl)n2)n1 ZINC001587743987 1172997363 /nfs/dbraw/zinc/99/73/63/1172997363.db2.gz IZPCXXPPJRZDKV-UHFFFAOYSA-N -1 3 297.702 1.513 10 0 CDAEHM COc1cnc(F)c([N-]C(=O)c2nnc3ccccc3n2)c1 ZINC001596615340 1174241685 /nfs/dbraw/zinc/24/16/85/1174241685.db2.gz 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796860618 /nfs/dbraw/zinc/86/06/18/796860618.db2.gz NMWIRDVPLMGTIW-UHFFFAOYSA-N -1 3 251.246 1.177 10 0 CDAEHM C[C@@H](O)[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000344880242 796867146 /nfs/dbraw/zinc/86/71/46/796867146.db2.gz CKDYYIRKNSBWOD-RNFRBKRXSA-N -1 3 281.736 1.527 10 0 CDAEHM O=C(OC[C@H]1CC[C@H](C(F)(F)F)O1)c1cnn[n-]1 ZINC000922731053 796892555 /nfs/dbraw/zinc/89/25/55/796892555.db2.gz KMZRLVJDBQRYCP-IYSWYEEDSA-N -1 3 265.191 1.071 10 0 CDAEHM O=C(OC[C@H]1CC[C@H](C(F)(F)F)O1)c1c[n-]nn1 ZINC000922731053 796892556 /nfs/dbraw/zinc/89/25/56/796892556.db2.gz KMZRLVJDBQRYCP-IYSWYEEDSA-N -1 3 265.191 1.071 10 0 CDAEHM O=S(=O)([N-]CC[C@H]1CCCS1)c1cccnc1F ZINC000715990912 797086723 /nfs/dbraw/zinc/08/67/23/797086723.db2.gz GTFFFOQEVZYJDA-SECBINFHSA-N -1 3 290.385 1.785 10 0 CDAEHM C[C@@H](CN1CCCC[C@H]1C(N)=O)C(=O)c1ccc([O-])cc1 ZINC000929231255 797360638 /nfs/dbraw/zinc/36/06/38/797360638.db2.gz HLJUDIAIQWMUHF-FZMZJTMJSA-N -1 3 290.363 1.551 10 0 CDAEHM CC[C@H]1C[C@@H](C(=O)N[N-]C(=O)c2ncccc2C)CCO1 ZINC000180527003 797410987 /nfs/dbraw/zinc/41/09/87/797410987.db2.gz FAOXOCBFUHHFKM-RYUDHWBXSA-N -1 3 291.351 1.356 10 0 CDAEHM C[C@H](O)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000344908021 797448077 /nfs/dbraw/zinc/44/80/77/797448077.db2.gz UJGJJUKKILGIRJ-WDSKDSINSA-N -1 3 269.775 1.449 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CC(C)(C)C(C)(F)F)c1 ZINC000867787597 797674450 /nfs/dbraw/zinc/67/44/50/797674450.db2.gz ZXRKFLIENFTFLY-UHFFFAOYSA-N -1 3 295.355 1.863 10 0 CDAEHM CC(C)[C@@H](CO)O[N-]C(=O)C[C@@H](C)c1cccnc1 ZINC000836893871 797677991 /nfs/dbraw/zinc/67/79/91/797677991.db2.gz DHILNUWLTDHFPH-DGCLKSJQSA-N -1 3 266.341 1.640 10 0 CDAEHM Cc1ncsc1C[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000866736819 797810849 /nfs/dbraw/zinc/81/08/49/797810849.db2.gz BRUZRCPLRLYLJU-UHFFFAOYSA-N -1 3 284.366 1.028 10 0 CDAEHM Nc1ccc(C(=O)N2CC[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC000852864742 797844740 /nfs/dbraw/zinc/84/47/40/797844740.db2.gz GOYZEBREVQKGPX-ZJUUUORDSA-N -1 3 262.309 1.083 10 0 CDAEHM Cn1ncnc1CNCc1ccc([O-])c(Cl)c1 ZINC000080532925 797850617 /nfs/dbraw/zinc/85/06/17/797850617.db2.gz UZMPJMYXEZCVRQ-UHFFFAOYSA-N -1 3 252.705 1.464 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H](C)CC1CCC1 ZINC000867674428 797866048 /nfs/dbraw/zinc/86/60/48/797866048.db2.gz SEUIVTGFXMMPCS-FVMDXXJSSA-N -1 3 282.431 1.517 10 0 CDAEHM O=S(=O)([N-][C@@H](C1CCC1)[C@H]1CCOC1)c1ccco1 ZINC000867733815 797875808 /nfs/dbraw/zinc/87/58/08/797875808.db2.gz PQHYAQGYXNWBCQ-AAEUAGOBSA-N -1 3 285.365 1.763 10 0 CDAEHM O=C(/C=C/[C@@H]1CCCO1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000821398895 797878129 /nfs/dbraw/zinc/87/81/29/797878129.db2.gz UYDLBOZBSBFULT-FYJFLYSWSA-N -1 3 290.319 1.838 10 0 CDAEHM O=C(NC[C@H]1CCN1CCCCCF)c1ncccc1[O-] ZINC001483645793 912242863 /nfs/dbraw/zinc/24/28/63/912242863.db2.gz QBZDHGLFFRDYPD-GFCCVEGCSA-N -1 3 295.358 1.731 10 0 CDAEHM CCC[C@@H](C)[C@H](CO)NC(=O)CCc1c(C)nc[n-]c1=O ZINC001647253842 1168493620 /nfs/dbraw/zinc/49/36/20/1168493620.db2.gz 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ZINC000837673910 936852470 /nfs/dbraw/zinc/85/24/70/936852470.db2.gz OHGVVORLNPHOFY-BXKDBHETSA-N -1 3 292.335 1.775 10 0 CDAEHM CC[C@@]1(C(=O)[O-])CCCN(Cc2cc3n(n2)CCC3)C1 ZINC000923470008 923851504 /nfs/dbraw/zinc/85/15/04/923851504.db2.gz MDXFESOZYKPBBR-OAHLLOKOSA-N -1 3 277.368 1.906 10 0 CDAEHM CC[C@]1(C(=O)[O-])CCCN([C@H](C)c2n[nH]c(C)n2)C1 ZINC000923471881 923854883 /nfs/dbraw/zinc/85/48/83/923854883.db2.gz YQXNTLSGXFUTFO-RNCFNFMXSA-N -1 3 266.345 1.751 10 0 CDAEHM O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1cnncc1[O-] ZINC001142214574 936991062 /nfs/dbraw/zinc/99/10/62/936991062.db2.gz CVLZPYUDKABVNE-WDEREUQCSA-N -1 3 261.325 1.738 10 0 CDAEHM CC(C)OCCO[N-]C(=O)C[C@H](C)[C@@H]1CCCO1 ZINC000854578181 928238512 /nfs/dbraw/zinc/23/85/12/928238512.db2.gz SIWWIHJCFIOMFH-RYUDHWBXSA-N -1 3 259.346 1.664 10 0 CDAEHM CC[C@H](C)C[C@@H](N)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000400749767 937259927 /nfs/dbraw/zinc/25/99/27/937259927.db2.gz CHLQQMPAPQXHBM-GARJFASQSA-N -1 3 256.346 1.073 10 0 CDAEHM 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CC(C)(C)[C@H]1CCN(C(=O)c2ccc(N)cc2[O-])C[C@@H]1O ZINC000817999106 930650941 /nfs/dbraw/zinc/65/09/41/930650941.db2.gz MPVRPVPSHPWIMK-JSGCOSHPSA-N -1 3 292.379 1.844 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)C=C[C@@H]2CCCO2)[n-]1 ZINC000819512247 930816392 /nfs/dbraw/zinc/81/63/92/930816392.db2.gz NGQIRIIGYYVMRI-UDIARPCQSA-N -1 3 279.296 1.260 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)/C=C\[C@@H]2CCCO2)c[n-]1 ZINC000819512247 930816399 /nfs/dbraw/zinc/81/63/99/930816399.db2.gz NGQIRIIGYYVMRI-UDIARPCQSA-N -1 3 279.296 1.260 10 0 CDAEHM O=C(C=Cc1ccncn1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820213849 930887416 /nfs/dbraw/zinc/88/74/16/930887416.db2.gz RCLLERJYVZAFSE-RJRFIUFISA-N -1 3 281.275 1.710 10 0 CDAEHM CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OC(C)(C)CO ZINC000821232983 931025789 /nfs/dbraw/zinc/02/57/89/931025789.db2.gz WALQDHLMWOUBOJ-VHSXEESVSA-N -1 3 287.356 1.173 10 0 CDAEHM Cc1nc([N-]C(=O)c2csc(-c3ncc[nH]3)n2)nn1C ZINC001274201497 931231590 /nfs/dbraw/zinc/23/15/90/931231590.db2.gz 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273.340 1.169 10 0 CDAEHM CN(C)c1n[nH]c([N-]C(=O)c2ccoc2C(F)(F)F)n1 ZINC000290914971 282312005 /nfs/dbraw/zinc/31/20/05/282312005.db2.gz NIJQGHHDEVZRGL-UHFFFAOYSA-N -1 3 289.217 1.735 10 0 CDAEHM COC(=O)C[C@H](CNC(=O)c1cc(F)c[n-]c1=O)C1CC1 ZINC000598772875 343902033 /nfs/dbraw/zinc/90/20/33/343902033.db2.gz HXPLSBLYCXOWGT-SECBINFHSA-N -1 3 296.298 1.245 10 0 CDAEHM C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000101570425 362356451 /nfs/dbraw/zinc/35/64/51/362356451.db2.gz JXUWMEXLJPEMRL-UHFFFAOYSA-N -1 3 263.702 1.035 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)[C@@H](OCC)C(C)C)[n-]1 ZINC000599827895 344143891 /nfs/dbraw/zinc/14/38/91/344143891.db2.gz HMKWAQUXMRUDLF-JTQLQIEISA-N -1 3 283.328 1.586 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)[C@@H](OCC)C(C)C)c[n-]1 ZINC000599827895 344143894 /nfs/dbraw/zinc/14/38/94/344143894.db2.gz HMKWAQUXMRUDLF-JTQLQIEISA-N -1 3 283.328 1.586 10 0 CDAEHM COC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)c1cccc([O-])c1 ZINC000601725533 344238491 /nfs/dbraw/zinc/23/84/91/344238491.db2.gz 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CC(=O)c1ccc(C(=O)N2CC[C@@H](O)C(F)(F)C2)cc1[O-] ZINC000617806859 346474729 /nfs/dbraw/zinc/47/47/29/346474729.db2.gz UEAWPOUZZDYOCW-GFCCVEGCSA-N -1 3 299.273 1.437 10 0 CDAEHM CC(=O)Nc1ccc(NC(=O)[C@H](N)CC(=O)[O-])cc1Cl ZINC000085813368 179178822 /nfs/dbraw/zinc/17/88/22/179178822.db2.gz FQPQZVXXKBETAW-SECBINFHSA-N -1 3 299.714 1.039 10 0 CDAEHM CC(C)(C)[C@H](NC(=O)[C@H](N)CC(=O)[O-])c1ccccc1 ZINC000085813500 179178584 /nfs/dbraw/zinc/17/85/84/179178584.db2.gz AOECTPDWRYOFDL-DGCLKSJQSA-N -1 3 278.352 1.692 10 0 CDAEHM CCCc1ccccc1NC(=O)[C@@H](N)CCC(=O)[O-] ZINC000085819366 179181755 /nfs/dbraw/zinc/18/17/55/179181755.db2.gz LDWKZIIWFJHFNN-NSHDSACASA-N -1 3 264.325 1.770 10 0 CDAEHM CN(C(=O)[C@@H](N)CCC(=O)[O-])C1CCCCCC1 ZINC000085819045 179182233 /nfs/dbraw/zinc/18/22/33/179182233.db2.gz ZATWIVNTMKFEGL-NSHDSACASA-N -1 3 256.346 1.360 10 0 CDAEHM N[C@@H](CCC(=O)[O-])C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000085819590 179182616 /nfs/dbraw/zinc/18/26/16/179182616.db2.gz FTAUDZDVXNKINN-WMJKOLINSA-N 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/nfs/dbraw/zinc/98/95/12/347989512.db2.gz MXFKXWGGURBGNC-RYUDHWBXSA-N -1 3 293.342 1.354 10 0 CDAEHM Cn1ncc(C2CC2)c1C(=O)NCc1ncccc1[O-] ZINC000614255039 348059498 /nfs/dbraw/zinc/05/94/98/348059498.db2.gz NGVJAOXXRJAGJZ-UHFFFAOYSA-N -1 3 272.308 1.328 10 0 CDAEHM CC(=O)N[C@H](CCC(C)C)C(=O)NCc1ncccc1[O-] ZINC000614255715 348060122 /nfs/dbraw/zinc/06/01/22/348060122.db2.gz UQNFLAGFZAPFCC-GFCCVEGCSA-N -1 3 293.367 1.344 10 0 CDAEHM CC(C)(C)c1ccc(NC(=O)C[C@H]2CC(=O)N2)c([O-])c1 ZINC000614489224 348125579 /nfs/dbraw/zinc/12/55/79/348125579.db2.gz RYZJUNNCGXWADB-SNVBAGLBSA-N -1 3 276.336 1.907 10 0 CDAEHM C[C@H](NC(=O)[C@H]1C[C@@H]1C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614829240 348243223 /nfs/dbraw/zinc/24/32/23/348243223.db2.gz YMGAEQNTVIFJHW-NAKRPEOUSA-N -1 3 291.351 1.523 10 0 CDAEHM C[C@@H](CC(C)(C)C)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000614993538 348296861 /nfs/dbraw/zinc/29/68/61/348296861.db2.gz IJRRHNYBCAKCDL-ZETCQYMHSA-N -1 3 250.306 1.463 10 0 CDAEHM CCN(CCO)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000029839957 348673648 /nfs/dbraw/zinc/67/36/48/348673648.db2.gz WBMXWRJDVBOQSS-UHFFFAOYSA-N -1 3 287.319 1.896 10 0 CDAEHM CC1(C)OCC[C@H]1CNC(=O)c1cccc2nn[n-]c21 ZINC000620517656 350237873 /nfs/dbraw/zinc/23/78/73/350237873.db2.gz KUZOZJWLINNHHV-VIFPVBQESA-N -1 3 274.324 1.503 10 0 CDAEHM CC1(C)OCC[C@H]1CNC(=O)c1cccc2[n-]nnc21 ZINC000620517656 350237875 /nfs/dbraw/zinc/23/78/75/350237875.db2.gz KUZOZJWLINNHHV-VIFPVBQESA-N -1 3 274.324 1.503 10 0 CDAEHM CC1(C)OCC[C@H]1CNC(=O)c1cccc2n[n-]nc21 ZINC000620517656 350237879 /nfs/dbraw/zinc/23/78/79/350237879.db2.gz KUZOZJWLINNHHV-VIFPVBQESA-N -1 3 274.324 1.503 10 0 CDAEHM O=C(c1csc(=O)[n-]1)N1CCO[C@H](CC(F)(F)F)C1 ZINC000620785681 350332061 /nfs/dbraw/zinc/33/20/61/350332061.db2.gz KWWQLEHUHOWPIC-ZCFIWIBFSA-N -1 3 296.270 1.642 10 0 CDAEHM CC[C@@H](NC(=O)c1cc(C)ccc1[O-])C(=O)OC ZINC000092426511 180383348 /nfs/dbraw/zinc/38/33/48/180383348.db2.gz DNNZAJDYJMPEGO-SNVBAGLBSA-N -1 3 251.282 1.382 10 0 CDAEHM CCc1cccc(N(C)Cc2cc(=O)n3nc(N)[n-]c3n2)c1 ZINC000621300679 350531664 /nfs/dbraw/zinc/53/16/64/350531664.db2.gz VRIXCNUILQDUKS-UHFFFAOYSA-N -1 3 298.350 1.029 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2Cc2cncc(Cl)c2)nc1=N ZINC000621289514 350526011 /nfs/dbraw/zinc/52/60/11/350526011.db2.gz IZIRMYYIKOHCDX-LLVKDONJSA-N -1 3 292.774 1.613 10 0 CDAEHM O=C(NCC[C@H]1CCCO1)c1cc(F)c[n-]c1=O ZINC000621426250 350594071 /nfs/dbraw/zinc/59/40/71/350594071.db2.gz XLWDTQLMZYSDJZ-SECBINFHSA-N -1 3 254.261 1.225 10 0 CDAEHM CC[C@@H](CO)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621530985 350635449 /nfs/dbraw/zinc/63/54/49/350635449.db2.gz LTZFXQKZVGGNAD-VIFPVBQESA-N -1 3 277.242 1.912 10 0 CDAEHM CC1(C)COC[C@H]1NC(=O)c1cc(F)c[n-]c1=O ZINC000622093192 350990151 /nfs/dbraw/zinc/99/01/51/350990151.db2.gz BOHJVPSSKVLUAT-SECBINFHSA-N -1 3 254.261 1.081 10 0 CDAEHM O=C(NCCO[C@@H]1CC1(F)F)c1c([O-])cccc1O ZINC000622161113 351043941 /nfs/dbraw/zinc/04/39/41/351043941.db2.gz JGHQZLAHHVWZPL-SECBINFHSA-N -1 3 273.235 1.252 10 0 CDAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cccc(C2CCC2)c1 ZINC000291209744 197955125 /nfs/dbraw/zinc/95/51/25/197955125.db2.gz KSPKWIHSLAUAKN-LBPRGKRZSA-N -1 3 287.319 1.491 10 0 CDAEHM CC(C)N(C(=O)CN1CC[C@H](C(=O)[O-])C1)C1CCCCC1 ZINC000062133647 363015476 /nfs/dbraw/zinc/01/54/76/363015476.db2.gz YMWHLJSLYXPKGP-ZDUSSCGKSA-N -1 3 296.411 1.963 10 0 CDAEHM Cc1cc(C)n2c(CNCc3ncccc3[O-])cnc2n1 ZINC000355286019 366043401 /nfs/dbraw/zinc/04/34/01/366043401.db2.gz UCDUPRQERHYTHY-UHFFFAOYSA-N -1 3 283.335 1.737 10 0 CDAEHM N[C@@H](C(=O)[O-])[C@H](O)c1cc(Cl)ccc1Cl ZINC000236319148 363093018 /nfs/dbraw/zinc/09/30/18/363093018.db2.gz WRTZFYCRQWQZQW-HTQZYQBOSA-N -1 3 250.081 1.439 10 0 CDAEHM Cc1ccc([O-])c(CN[C@H](C)c2nnc3ccccn32)n1 ZINC000112716451 366124980 /nfs/dbraw/zinc/12/49/80/366124980.db2.gz HCABHHGUTWPQDS-LLVKDONJSA-N -1 3 283.335 1.989 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C2(CF)CCOCC2)s1 ZINC000336305529 363336407 /nfs/dbraw/zinc/33/64/07/363336407.db2.gz RLWODCIZJCZEHL-UHFFFAOYSA-N -1 3 293.385 1.854 10 0 CDAEHM CC[C@@H](C(=O)[O-])N1CC[S@@](=O)C(CC)(CC)C1 ZINC000455666024 363446843 /nfs/dbraw/zinc/44/68/43/363446843.db2.gz VKHSQSGVIAZGRF-DYZYQPBXSA-N -1 3 261.387 1.473 10 0 CDAEHM COc1cccc(C(=O)N2CCC(CO)CC2)c1[O-] ZINC000036882965 356269635 /nfs/dbraw/zinc/26/96/35/356269635.db2.gz UYIJAFYRMWDIQS-UHFFFAOYSA-N -1 3 265.309 1.245 10 0 CDAEHM CC(C)C([N-]S(=O)(=O)c1c[nH]c(=O)s1)C(C)C ZINC000632123148 356334427 /nfs/dbraw/zinc/33/44/27/356334427.db2.gz OZHSVOKCTZUMBX-UHFFFAOYSA-N -1 3 278.399 1.808 10 0 CDAEHM O=S(=O)(Cc1cnoc1C1CC1)c1nc2c([n-]1)CCC2 ZINC000644611452 366255224 /nfs/dbraw/zinc/25/52/24/366255224.db2.gz DGWFKUCWSZFXJX-UHFFFAOYSA-N -1 3 293.348 1.738 10 0 CDAEHM Cn1nccc1C([O-])=Cc1nc(C(C)(F)F)no1 ZINC000725257802 538452641 /nfs/dbraw/zinc/45/26/41/538452641.db2.gz XKUADYSLOPNGLT-UHFFFAOYSA-N -1 3 256.212 1.340 10 0 CDAEHM CC(C)(C)OC(=O)c1nn[n-]c1[C@@H]1CCCOC1 ZINC000725266351 538457159 /nfs/dbraw/zinc/45/71/59/538457159.db2.gz NAXQUHVAHXUHGR-MRVPVSSYSA-N -1 3 253.302 1.654 10 0 CDAEHM CC(C)(C)OC(=O)c1[n-]nnc1[C@@H]1CCCOC1 ZINC000725266351 538457162 /nfs/dbraw/zinc/45/71/62/538457162.db2.gz NAXQUHVAHXUHGR-MRVPVSSYSA-N -1 3 253.302 1.654 10 0 CDAEHM CC(C)(C)OC(=O)c1n[n-]nc1[C@@H]1CCCOC1 ZINC000725266351 538457164 /nfs/dbraw/zinc/45/71/64/538457164.db2.gz NAXQUHVAHXUHGR-MRVPVSSYSA-N -1 3 253.302 1.654 10 0 CDAEHM COCCS(=O)(=O)[N-]c1c(C)ccc2cnccc21 ZINC000634662008 356662555 /nfs/dbraw/zinc/66/25/55/356662555.db2.gz GITQXEGZYINBQA-UHFFFAOYSA-N -1 3 280.349 1.931 10 0 CDAEHM CCCC[C@@H](CN)N=c1[n-]c([C@H](C)OC)ns1 ZINC000336683950 366360743 /nfs/dbraw/zinc/36/07/43/366360743.db2.gz CNPKMLICZSWRQA-IUCAKERBSA-N -1 3 258.391 1.597 10 0 CDAEHM CCCC[C@@H](CN)N=c1nc([C@H](C)OC)[n-]s1 ZINC000336683950 366360748 /nfs/dbraw/zinc/36/07/48/366360748.db2.gz CNPKMLICZSWRQA-IUCAKERBSA-N -1 3 258.391 1.597 10 0 CDAEHM C[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cccc(Cl)c1 ZINC000042812530 357081228 /nfs/dbraw/zinc/08/12/28/357081228.db2.gz JOBUBTIJGLSJNU-XVKPBYJWSA-N -1 3 295.726 1.115 10 0 CDAEHM O=C(N[C@H]1CCC[C@@H]1O)c1cc2c(cc1[O-])CCCC2 ZINC000269535329 357082452 /nfs/dbraw/zinc/08/24/52/357082452.db2.gz OIFHHKLIPNYLTN-KBPBESRZSA-N -1 3 275.348 1.914 10 0 CDAEHM CC[C@@H](C[C@@H](C)CO)NC(=O)c1cccc([O-])c1 ZINC000357425491 357219593 /nfs/dbraw/zinc/21/95/93/357219593.db2.gz RDSHZHWIUGYYRZ-PWSUYJOCSA-N -1 3 251.326 1.919 10 0 CDAEHM CO[C@H]1CN(CCOC(C)(C)C)[C@@](C)(C(=O)[O-])C1 ZINC000634694761 357242149 /nfs/dbraw/zinc/24/21/49/357242149.db2.gz KTVGVJFGOOHAGY-ZWNOBZJWSA-N -1 3 259.346 1.366 10 0 CDAEHM O=C([O-])COCCN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000634697815 357285271 /nfs/dbraw/zinc/28/52/71/357285271.db2.gz SIIHVIHILJDMJP-CYBMUJFWSA-N -1 3 283.299 1.380 10 0 CDAEHM O=C(NCc1c[nH]cn1)c1cc(=O)c2ccccc2[n-]1 ZINC000088759084 357465794 /nfs/dbraw/zinc/46/57/94/357465794.db2.gz VRRAUAFOMFCJGU-UHFFFAOYSA-N -1 3 268.276 1.181 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2CCC([C@H](C)O)CC2)c1 ZINC000094157309 358173322 /nfs/dbraw/zinc/17/33/22/358173322.db2.gz KNMQYKDOARRVLD-NSHDSACASA-N -1 3 263.337 1.934 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2CCC([C@@H](C)O)CC2)n1 ZINC000192585889 358219033 /nfs/dbraw/zinc/21/90/33/358219033.db2.gz BQWQTZAUKYFLLE-WDEREUQCSA-N -1 3 265.357 1.644 10 0 CDAEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCOC2)c(F)cc1F ZINC000084674423 358241334 /nfs/dbraw/zinc/24/13/34/358241334.db2.gz XDVFFRVDKTXHHE-SECBINFHSA-N -1 3 291.319 1.731 10 0 CDAEHM Cc1cc(C)c(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)o1 ZINC000559255324 358246295 /nfs/dbraw/zinc/24/62/95/358246295.db2.gz CAFPHTUWWITMFH-SNVBAGLBSA-N -1 3 289.339 1.415 10 0 CDAEHM COc1nnc(NC(=O)[C@H]2Cc3ccccc3S2)[n-]1 ZINC000129582379 358288539 /nfs/dbraw/zinc/28/85/39/358288539.db2.gz AIRGEVVTSQYXNY-SECBINFHSA-N -1 3 276.321 1.469 10 0 CDAEHM COc1nc(NC(=O)[C@H]2Cc3ccccc3S2)n[n-]1 ZINC000129582379 358288541 /nfs/dbraw/zinc/28/85/41/358288541.db2.gz AIRGEVVTSQYXNY-SECBINFHSA-N -1 3 276.321 1.469 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H]2Cc3ccccc3S2)n1 ZINC000129582379 358288544 /nfs/dbraw/zinc/28/85/44/358288544.db2.gz AIRGEVVTSQYXNY-SECBINFHSA-N -1 3 276.321 1.469 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CCO[C@@H](C3CC3)C2)c1 ZINC000364507780 358436690 /nfs/dbraw/zinc/43/66/90/358436690.db2.gz JFVQVIXOFYEDHV-CQSZACIVSA-N -1 3 277.320 1.652 10 0 CDAEHM C[C@H]1CN2CCC[C@H]2CN1C(=O)c1c([O-])cc(F)cc1F ZINC000247488387 358531085 /nfs/dbraw/zinc/53/10/85/358531085.db2.gz UADKUEWSFCRZGF-ONGXEEELSA-N -1 3 296.317 1.979 10 0 CDAEHM CNC(=O)[C@H]1CCCCN1Cc1nc(C)ccc1[O-] ZINC000133041533 358593136 /nfs/dbraw/zinc/59/31/36/358593136.db2.gz AIUJNYBYJXJMEW-GFCCVEGCSA-N -1 3 263.341 1.196 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2CC[C@H]3OCC[C@H]3C2)c1 ZINC000365119503 358707992 /nfs/dbraw/zinc/70/79/92/358707992.db2.gz IEIJYLRRCTWYBO-SMDDNHRTSA-N -1 3 261.321 1.952 10 0 CDAEHM Cn1ncnc1[N-]C(=O)c1cc(-c2cccnc2)on1 ZINC000151044921 358788474 /nfs/dbraw/zinc/78/84/74/358788474.db2.gz KLEOWKKXRJODIA-UHFFFAOYSA-N -1 3 270.252 1.117 10 0 CDAEHM Cc1ccc([C@H]2CSCCN2C[C@@](C)(O)C(=O)[O-])cc1 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ZINC000279255896 194353425 /nfs/dbraw/zinc/35/34/25/194353425.db2.gz IIPWSRVWMOOJQN-UHFFFAOYSA-N -1 3 280.324 1.836 10 0 CDAEHM COC(=O)c1cc(C(=O)N=c2cc([C@H]3C[C@H]3C)[nH][nH]2)c[n-]1 ZINC000449835460 251041871 /nfs/dbraw/zinc/04/18/71/251041871.db2.gz PXVDCTBESIJPET-APPZFPTMSA-N -1 3 288.307 1.322 10 0 CDAEHM COC(=O)[C@H](CF)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000288301987 197047364 /nfs/dbraw/zinc/04/73/64/197047364.db2.gz NPWAHEKWWBBSSF-LBPRGKRZSA-N -1 3 295.310 1.512 10 0 CDAEHM Cc1nnc([N-]C(=O)c2cc(C(C)(C)N)no2)s1 ZINC000662439046 413020951 /nfs/dbraw/zinc/02/09/51/413020951.db2.gz HIJPIPXGKKKFID-UHFFFAOYSA-N -1 3 267.314 1.281 10 0 CDAEHM Cc1n[n-]c(=NC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)s1 ZINC000530766483 390282513 /nfs/dbraw/zinc/28/25/13/390282513.db2.gz YTRCCUFJBKSNDK-CBAPKCEASA-N -1 3 281.385 1.015 10 0 CDAEHM Cc1nc(C)c(CC(=O)N2C[C@H]3CCCC[C@@H]3C2)c(=O)[n-]1 ZINC000530931616 390373050 /nfs/dbraw/zinc/37/30/50/390373050.db2.gz YHFAPJNJBGQRFN-CHWSQXEVSA-N -1 3 289.379 1.990 10 0 CDAEHM CN(CCC(C)(C)C)[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC000647377189 390952523 /nfs/dbraw/zinc/95/25/23/390952523.db2.gz WGUNGMUYKPZZHF-GFCCVEGCSA-N -1 3 284.400 1.820 10 0 CDAEHM CCO[C@]1(C(=O)Nc2ccc([O-])cc2F)CCOC1 ZINC000402384655 390919334 /nfs/dbraw/zinc/91/93/34/390919334.db2.gz PGBNXUDUFXBFPY-CYBMUJFWSA-N -1 3 269.272 1.665 10 0 CDAEHM COC(=O)[C@@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000448744138 390971666 /nfs/dbraw/zinc/97/16/66/390971666.db2.gz NQAJOSJPYKUDMK-SNVBAGLBSA-N -1 3 281.283 1.095 10 0 CDAEHM CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2sc(C)nc2C)C1 ZINC000191043437 533266153 /nfs/dbraw/zinc/26/61/53/533266153.db2.gz OJSSNYJFIFLSGX-UWVGGRQHSA-N -1 3 290.410 1.606 10 0 CDAEHM CCCCOCCN1C[C@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000345524422 391221046 /nfs/dbraw/zinc/22/10/46/391221046.db2.gz QANUBNZEBBCXSN-VHSXEESVSA-N -1 3 283.290 1.998 10 0 CDAEHM Cc1noc(C)c1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000526959379 391236258 /nfs/dbraw/zinc/23/62/58/391236258.db2.gz LWPBXZPGXZVAKE-SNVBAGLBSA-N -1 3 276.296 1.540 10 0 CDAEHM CCc1nc2c(s1)[C@H](N(C)C[C@](C)(O)C(=O)[O-])CCC2 ZINC000516976055 391432373 /nfs/dbraw/zinc/43/23/73/391432373.db2.gz SJTBORHGWOQWOE-YGRLFVJLSA-N -1 3 298.408 1.850 10 0 CDAEHM C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000282045787 391456608 /nfs/dbraw/zinc/45/66/08/391456608.db2.gz BWKFSEPADRQRFY-LKFCYVNXSA-N -1 3 299.330 1.195 10 0 CDAEHM Cc1cccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)n1 ZINC000119323991 391536031 /nfs/dbraw/zinc/53/60/31/391536031.db2.gz FOGKCZBAHNBGEP-UHFFFAOYSA-N -1 3 282.307 1.766 10 0 CDAEHM Cc1cccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)n1 ZINC000119323991 391536038 /nfs/dbraw/zinc/53/60/38/391536038.db2.gz FOGKCZBAHNBGEP-UHFFFAOYSA-N -1 3 282.307 1.766 10 0 CDAEHM COCc1n[n-]c(=NC[C@@H]2CCN2C2CCCCC2)s1 ZINC000528117219 391610622 /nfs/dbraw/zinc/61/06/22/391610622.db2.gz LFAJUCMGUUHZGY-LBPRGKRZSA-N -1 3 296.440 1.925 10 0 CDAEHM Cc1nn(C(C)C)cc1CN[C@]1(C(=O)[O-])CCOC1 ZINC000417566477 391673347 /nfs/dbraw/zinc/67/33/47/391673347.db2.gz MJKXRYXUKGPTCL-CYBMUJFWSA-N -1 3 267.329 1.106 10 0 CDAEHM Cc1ccc(CN[C@@H](C(=O)[O-])c2cnn(C)c2)c(C)c1 ZINC000417595485 391689559 /nfs/dbraw/zinc/68/95/59/391689559.db2.gz JWTGKLPKCAJTPQ-CQSZACIVSA-N -1 3 273.336 1.952 10 0 CDAEHM Cc1cc(C)cc(CN[C@@H](C(=O)[O-])c2cnn(C)c2)c1 ZINC000417594668 391690079 /nfs/dbraw/zinc/69/00/79/391690079.db2.gz JLVNYJOHDPXKLJ-CQSZACIVSA-N -1 3 273.336 1.952 10 0 CDAEHM COC(=O)[C@@]1(C)CCCN1C(=O)c1cccc([O-])c1 ZINC000190742880 130141666 /nfs/dbraw/zinc/14/16/66/130141666.db2.gz UWIXUDBOABTKPO-CQSZACIVSA-N -1 3 263.293 1.560 10 0 CDAEHM Cc1nnc([C@@H]2CCCCN2C(=O)c2cncc([O-])c2)[nH]1 ZINC000408002106 391819511 /nfs/dbraw/zinc/81/95/11/391819511.db2.gz KYJSVZOKTHNQAK-LBPRGKRZSA-N -1 3 287.323 1.581 10 0 CDAEHM Cc1nc([C@@H]2CCCCN2C(=O)c2cncc([O-])c2)n[nH]1 ZINC000408002106 391819515 /nfs/dbraw/zinc/81/95/15/391819515.db2.gz KYJSVZOKTHNQAK-LBPRGKRZSA-N -1 3 287.323 1.581 10 0 CDAEHM C[C@H]1CCC[C@H](CCNC(=O)C(=O)[N-]c2cnns2)C1 ZINC000430044610 391889869 /nfs/dbraw/zinc/88/98/69/391889869.db2.gz IFOMMYYOLOAWBN-VHSXEESVSA-N -1 3 296.396 1.809 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)c1cn(C2CCC2)nn1 ZINC000648832998 391994043 /nfs/dbraw/zinc/99/40/43/391994043.db2.gz SDNNMSDKCMMYQW-UHFFFAOYSA-N -1 3 290.298 1.778 10 0 CDAEHM COCc1nc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)co1 ZINC000525966849 392007799 /nfs/dbraw/zinc/00/77/99/392007799.db2.gz ACRNBTXDSJQRMM-SNVBAGLBSA-N -1 3 292.295 1.070 10 0 CDAEHM CCn1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cn1 ZINC000525967792 392007898 /nfs/dbraw/zinc/00/78/98/392007898.db2.gz XFGQOVDEMPDZPM-NSHDSACASA-N -1 3 275.312 1.152 10 0 CDAEHM COc1ccccc1NC(=O)[C@@H](C)N(C)CCCC(=O)[O-] ZINC000430664630 392035593 /nfs/dbraw/zinc/03/55/93/392035593.db2.gz WCIOKHQULYAVHY-LLVKDONJSA-N -1 3 294.351 1.819 10 0 CDAEHM COc1nc(NC(=O)C2CC(C(C)(C)C)C2)n[n-]1 ZINC000457685390 392191302 /nfs/dbraw/zinc/19/13/02/392191302.db2.gz DFSWGUYHLIMPAP-UHFFFAOYSA-N -1 3 252.318 1.824 10 0 CDAEHM COc1nnc(NC(=O)C2CC(C(C)(C)C)C2)[n-]1 ZINC000457685390 392191306 /nfs/dbraw/zinc/19/13/06/392191306.db2.gz DFSWGUYHLIMPAP-UHFFFAOYSA-N -1 3 252.318 1.824 10 0 CDAEHM COc1n[n-]c(NC(=O)C2CC(C(C)(C)C)C2)n1 ZINC000457685390 392191309 /nfs/dbraw/zinc/19/13/09/392191309.db2.gz DFSWGUYHLIMPAP-UHFFFAOYSA-N -1 3 252.318 1.824 10 0 CDAEHM Cc1cc(=O)[nH]c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000432409788 392215082 /nfs/dbraw/zinc/21/50/82/392215082.db2.gz IZVHLAIRNDSSCF-UHFFFAOYSA-N -1 3 287.201 1.485 10 0 CDAEHM Cc1cc(=O)[nH]c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000432409788 392215087 /nfs/dbraw/zinc/21/50/87/392215087.db2.gz IZVHLAIRNDSSCF-UHFFFAOYSA-N -1 3 287.201 1.485 10 0 CDAEHM CC(C)c1n[n-]c(=NCCN2CCN(C)C(C)(C)C2)s1 ZINC000440665628 392223701 /nfs/dbraw/zinc/22/37/01/392223701.db2.gz BITYNBBAHALEDO-UHFFFAOYSA-N -1 3 297.472 1.521 10 0 CDAEHM O=C(NCc1c[nH]c(=O)[nH]1)c1cc2c(cc1[O-])CCCC2 ZINC000646278471 392231641 /nfs/dbraw/zinc/23/16/41/392231641.db2.gz MPPWWNIGBBBBDC-UHFFFAOYSA-N -1 3 287.319 1.630 10 0 CDAEHM COc1cccc(C(=O)NCCCc2nc(C)no2)c1[O-] ZINC000263870009 131350399 /nfs/dbraw/zinc/35/03/99/131350399.db2.gz LXHHDUAOAQNFHD-UHFFFAOYSA-N -1 3 291.307 1.455 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CCC[C@@H]2COCC[C@H]21 ZINC000568232546 392425270 /nfs/dbraw/zinc/42/52/70/392425270.db2.gz UQNRBBLOUIKFPU-TZMCWYRMSA-N -1 3 276.336 1.357 10 0 CDAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000645873536 392440302 /nfs/dbraw/zinc/44/03/02/392440302.db2.gz FIWFCGXGBUAPGL-SDDRHHMPSA-N -1 3 283.397 1.931 10 0 CDAEHM COc1nnc(NC(=O)Cc2cc(C)ccc2OC)[n-]1 ZINC000158913682 392460222 /nfs/dbraw/zinc/46/02/22/392460222.db2.gz NBVMWIDRDIWQGU-UHFFFAOYSA-N -1 3 276.296 1.312 10 0 CDAEHM COc1nc(NC(=O)Cc2cc(C)ccc2OC)n[n-]1 ZINC000158913682 392460231 /nfs/dbraw/zinc/46/02/31/392460231.db2.gz NBVMWIDRDIWQGU-UHFFFAOYSA-N -1 3 276.296 1.312 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2cc(C)ccc2OC)n1 ZINC000158913682 392460240 /nfs/dbraw/zinc/46/02/40/392460240.db2.gz NBVMWIDRDIWQGU-UHFFFAOYSA-N -1 3 276.296 1.312 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(C)c(F)c2)[n-]1 ZINC000126786957 392587955 /nfs/dbraw/zinc/58/79/55/392587955.db2.gz XUHAQBCFXTUQCQ-UHFFFAOYSA-N -1 3 250.233 1.513 10 0 CDAEHM COc1nc(NC(=O)c2ccc(C)c(F)c2)n[n-]1 ZINC000126786957 392587959 /nfs/dbraw/zinc/58/79/59/392587959.db2.gz XUHAQBCFXTUQCQ-UHFFFAOYSA-N -1 3 250.233 1.513 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(C)c(F)c2)n1 ZINC000126786957 392587961 /nfs/dbraw/zinc/58/79/61/392587961.db2.gz XUHAQBCFXTUQCQ-UHFFFAOYSA-N -1 3 250.233 1.513 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(Br)o2)[n-]1 ZINC000126808044 392589321 /nfs/dbraw/zinc/58/93/21/392589321.db2.gz DKMYXYIQJKEKPS-UHFFFAOYSA-N -1 3 287.073 1.421 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(Br)o2)n1 ZINC000126808044 392589328 /nfs/dbraw/zinc/58/93/28/392589328.db2.gz DKMYXYIQJKEKPS-UHFFFAOYSA-N -1 3 287.073 1.421 10 0 CDAEHM COc1nc(NC(=O)c2ccc(Br)o2)n[n-]1 ZINC000126808044 392589332 /nfs/dbraw/zinc/58/93/32/392589332.db2.gz DKMYXYIQJKEKPS-UHFFFAOYSA-N -1 3 287.073 1.421 10 0 CDAEHM Cc1ccc(C(=O)NCCCc2ncn(C)n2)c([O-])c1C ZINC000648985447 392547783 /nfs/dbraw/zinc/54/77/83/392547783.db2.gz VGBCHBKXPKILAA-UHFFFAOYSA-N -1 3 288.351 1.500 10 0 CDAEHM COC(=O)c1[n-]c(=NC[C@H](OC)C(C)C)sc1C ZINC000362976295 392665724 /nfs/dbraw/zinc/66/57/24/392665724.db2.gz JWRWCEYNTNCITR-VIFPVBQESA-N -1 3 272.370 1.743 10 0 CDAEHM CSc1nnc(NC(=O)C[C@@H](C)n2cccc2)[n-]1 ZINC000517100840 392834941 /nfs/dbraw/zinc/83/49/41/392834941.db2.gz QXCDNEGRGSNLHE-MRVPVSSYSA-N -1 3 265.342 1.918 10 0 CDAEHM CSc1n[n-]c(NC(=O)C[C@@H](C)n2cccc2)n1 ZINC000517100840 392834950 /nfs/dbraw/zinc/83/49/50/392834950.db2.gz QXCDNEGRGSNLHE-MRVPVSSYSA-N -1 3 265.342 1.918 10 0 CDAEHM CSc1nc(NC(=O)C[C@@H](C)n2cccc2)n[n-]1 ZINC000517100840 392834959 /nfs/dbraw/zinc/83/49/59/392834959.db2.gz QXCDNEGRGSNLHE-MRVPVSSYSA-N -1 3 265.342 1.918 10 0 CDAEHM O=S(=O)([N-][C@@H]1CCN2CCCC[C@H]12)c1cscn1 ZINC000517233034 392860167 /nfs/dbraw/zinc/86/01/67/392860167.db2.gz IKGCYFUCBAVPAK-NXEZZACHSA-N -1 3 287.410 1.048 10 0 CDAEHM CCCN(C)S(=O)(=O)Nc1ccc(F)cc1[O-] ZINC000268885039 132083054 /nfs/dbraw/zinc/08/30/54/132083054.db2.gz SPSFYKNDESZFPJ-UHFFFAOYSA-N -1 3 262.306 1.530 10 0 CDAEHM Cc1ccc([O-])c(CNCc2cc(C(N)=O)co2)n1 ZINC000494459256 393003160 /nfs/dbraw/zinc/00/31/60/393003160.db2.gz WTNJVNKXPSIVPI-UHFFFAOYSA-N -1 3 261.281 1.077 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000649229890 393122957 /nfs/dbraw/zinc/12/29/57/393122957.db2.gz RDJBOVQRXQUZRS-GHMZBOCLSA-N -1 3 292.383 1.494 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC000649229789 393125644 /nfs/dbraw/zinc/12/56/44/393125644.db2.gz MZYZUSRCXMYMFB-JTQLQIEISA-N -1 3 295.387 1.285 10 0 CDAEHM CNC(=O)C1(C(=O)N=c2[nH][n-]c(C(C)C)c2C)CCC1 ZINC000649231709 393126559 /nfs/dbraw/zinc/12/65/59/393126559.db2.gz CYXDBTYMTBSCIW-UHFFFAOYSA-N -1 3 278.356 1.118 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-]C[C@@H](O)C(C)C)c1 ZINC000451227469 393162643 /nfs/dbraw/zinc/16/26/43/393162643.db2.gz DWWBPDLWCWQWFW-SECBINFHSA-N -1 3 263.384 1.352 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1cnccc1C)C(F)F ZINC000451626597 393373282 /nfs/dbraw/zinc/37/32/82/393373282.db2.gz ULALRRDHJAHVER-QMMMGPOBSA-N -1 3 264.297 1.712 10 0 CDAEHM COc1cccc(C(=O)N2CC[C@H](OC)C2)c1[O-] ZINC000234835891 140231371 /nfs/dbraw/zinc/23/13/71/140231371.db2.gz QZJCYOMSZIRLBE-VIFPVBQESA-N -1 3 251.282 1.262 10 0 CDAEHM CSc1nnc(NC(=O)C[C@@H](C)n2ccc(C)n2)[n-]1 ZINC000667618869 483353867 /nfs/dbraw/zinc/35/38/67/483353867.db2.gz KRSZHPGTAXBSQA-MRVPVSSYSA-N -1 3 280.357 1.621 10 0 CDAEHM CSc1n[n-]c(NC(=O)C[C@@H](C)n2ccc(C)n2)n1 ZINC000667618869 483353870 /nfs/dbraw/zinc/35/38/70/483353870.db2.gz KRSZHPGTAXBSQA-MRVPVSSYSA-N -1 3 280.357 1.621 10 0 CDAEHM CSc1nc(NC(=O)C[C@@H](C)n2ccc(C)n2)n[n-]1 ZINC000667618869 483353871 /nfs/dbraw/zinc/35/38/71/483353871.db2.gz KRSZHPGTAXBSQA-MRVPVSSYSA-N -1 3 280.357 1.621 10 0 CDAEHM O=C(NCC[C@@H]1CCOC1)NCc1ncccc1[O-] ZINC000525922886 397606907 /nfs/dbraw/zinc/60/69/07/397606907.db2.gz WRCMZMZPWPLCRH-SNVBAGLBSA-N -1 3 265.313 1.013 10 0 CDAEHM COc1cc(=NC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)[n-]n1C ZINC000650134395 397735430 /nfs/dbraw/zinc/73/54/30/397735430.db2.gz WTXYIHKPXASQIF-VHSXEESVSA-N -1 3 280.372 1.797 10 0 CDAEHM CC(C)c1nc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CC2)c[nH]1 ZINC000650314943 397882772 /nfs/dbraw/zinc/88/27/72/397882772.db2.gz CPXKLBYPBLVHRZ-QWRGUYRKSA-N -1 3 283.397 1.858 10 0 CDAEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccncc1 ZINC000095234023 147112260 /nfs/dbraw/zinc/11/22/60/147112260.db2.gz MTZWUANQSFEAAA-UHFFFAOYSA-N -1 3 280.291 1.438 10 0 CDAEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccncc1 ZINC000095234023 147112262 /nfs/dbraw/zinc/11/22/62/147112262.db2.gz MTZWUANQSFEAAA-UHFFFAOYSA-N -1 3 280.291 1.438 10 0 CDAEHM O=C(NCc1ncccc1[O-])[C@@H]1CCCc2n[nH]cc21 ZINC000352499320 155229177 /nfs/dbraw/zinc/22/91/77/155229177.db2.gz FOZKHILAOYUHFS-SECBINFHSA-N -1 3 272.308 1.247 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1cccc2nccnc21 ZINC000352506088 155233923 /nfs/dbraw/zinc/23/39/23/155233923.db2.gz DDTOJEZPPKUNQB-UHFFFAOYSA-N -1 3 280.287 1.660 10 0 CDAEHM Cc1cn2ccnc(C(=O)NCc3ncccc3[O-])c2n1 ZINC000352507330 155235973 /nfs/dbraw/zinc/23/59/73/155235973.db2.gz JLVMHAUZTQENDD-UHFFFAOYSA-N -1 3 283.291 1.068 10 0 CDAEHM COCc1ccccc1C(=O)NCc1ncccc1[O-] ZINC000352508834 155237821 /nfs/dbraw/zinc/23/78/21/155237821.db2.gz NLWBFUSNAZSTJR-UHFFFAOYSA-N -1 3 272.304 1.864 10 0 CDAEHM C[C@H]1C[C@H](C(=O)NCc2ncccc2[O-])CCC1=O ZINC000352514774 155241402 /nfs/dbraw/zinc/24/14/02/155241402.db2.gz CIUZPPMHEAJPSK-VHSXEESVSA-N -1 3 262.309 1.409 10 0 CDAEHM COCc1nc(C(=O)NCc2ncccc2[O-])cs1 ZINC000352517771 155244964 /nfs/dbraw/zinc/24/49/64/155244964.db2.gz RXAZJZGNWTWDFQ-UHFFFAOYSA-N -1 3 279.321 1.320 10 0 CDAEHM CC(=O)NCCCCCC(=O)NCc1ncccc1[O-] ZINC000352518666 155245478 /nfs/dbraw/zinc/24/54/78/155245478.db2.gz YPVSDNXDUSACEW-UHFFFAOYSA-N -1 3 279.340 1.100 10 0 CDAEHM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000334881391 150026892 /nfs/dbraw/zinc/02/68/92/150026892.db2.gz MLXRCRRPPJZOIP-ZJUUUORDSA-N -1 3 259.327 1.434 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CN(C3CC3)C[C@@H]2C)o1 ZINC000335965092 151154170 /nfs/dbraw/zinc/15/41/70/151154170.db2.gz KGAKKISAUSZTTP-JOYOIKCWSA-N -1 3 284.381 1.349 10 0 CDAEHM C[C@H]1CSCCN(S(=O)(=O)c2ccc([O-])cc2)C1 ZINC000336230933 151378061 /nfs/dbraw/zinc/37/80/61/151378061.db2.gz FHQJRTKPFDAZTM-SNVBAGLBSA-N -1 3 287.406 1.766 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)N1CCO[C@@H](C2CC2)C1 ZINC000336256256 151394907 /nfs/dbraw/zinc/39/49/07/151394907.db2.gz VKMKWWGNTXWILO-CQSZACIVSA-N -1 3 279.311 1.711 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2ncn(C(C)(C)C)n2)c[n-]1 ZINC000346477476 153203085 /nfs/dbraw/zinc/20/30/85/153203085.db2.gz GDUANULCRBHLOO-UHFFFAOYSA-N -1 3 291.311 1.400 10 0 CDAEHM CSCCCC[N-]S(=O)(=O)c1cncc(F)c1 ZINC000346583867 153235205 /nfs/dbraw/zinc/23/52/05/153235205.db2.gz MYSRLTLXVSOWQP-UHFFFAOYSA-N -1 3 278.374 1.642 10 0 CDAEHM CCOc1nc2cc(C(=O)N[C@@H](C)[C@@H](C)CO)ccc2[n-]1 ZINC000346818894 153311756 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ZINC000044538170 175199601 /nfs/dbraw/zinc/19/96/01/175199601.db2.gz JNPIHOYDXYCWKE-SNVBAGLBSA-N -1 3 284.385 1.105 10 0 CDAEHM CCCNCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000044651471 175224800 /nfs/dbraw/zinc/22/48/00/175224800.db2.gz KUBSRZGBTPZTAS-UHFFFAOYSA-N -1 3 270.716 1.976 10 0 CDAEHM CC(C)[C@](C)(CC(=O)N[C@@H]1CCN(C2CC2)C1)C(=O)[O-] ZINC000044692963 175233658 /nfs/dbraw/zinc/23/36/58/175233658.db2.gz WFIHZZSQPBCRNN-ABAIWWIYSA-N -1 3 282.384 1.476 10 0 CDAEHM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044692902 175234090 /nfs/dbraw/zinc/23/40/90/175234090.db2.gz OEDNBZNFPBZLBV-RTXFEEFZSA-N -1 3 280.368 1.230 10 0 CDAEHM Cc1ccc(C(=O)N(C)[C@@H](C)C(N)=S)c([O-])c1 ZINC000045146599 175316843 /nfs/dbraw/zinc/31/68/43/175316843.db2.gz PPGXPZNTAJVXKV-QMMMGPOBSA-N -1 3 252.339 1.447 10 0 CDAEHM Cc1nc(C(=O)N(C)C[C@H]2CCN(C)C2)ccc1C(=O)[O-] ZINC000071192894 176074276 /nfs/dbraw/zinc/07/42/76/176074276.db2.gz OPKTWLOXQVFZGT-NSHDSACASA-N -1 3 291.351 1.112 10 0 CDAEHM C[C@H](CCNC(=O)[C@@H]1CCCCN1)CCC(=O)[O-] ZINC000079062920 177424908 /nfs/dbraw/zinc/42/49/08/177424908.db2.gz AMFLIYDREDPBGZ-QWRGUYRKSA-N -1 3 256.346 1.136 10 0 CDAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cccc(-n2cccc2)c1 ZINC000179440335 260049065 /nfs/dbraw/zinc/04/90/65/260049065.db2.gz YITZTDXGHXVWKP-LBPRGKRZSA-N -1 3 298.302 1.014 10 0 CDAEHM CNc1ncc([C@@]([O-])(c2ncnn2C)C(F)(F)F)s1 ZINC000048252100 424165772 /nfs/dbraw/zinc/16/57/72/424165772.db2.gz RTNUJSUWCPSVBU-MRVPVSSYSA-N -1 3 293.274 1.112 10 0 CDAEHM COCC1(CNC(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000655252931 424170046 /nfs/dbraw/zinc/17/00/46/424170046.db2.gz DLDWPTWVYKYRJH-UHFFFAOYSA-N -1 3 260.297 1.114 10 0 CDAEHM O=S(=O)([N-][C@@H]1CNc2ccccc2C1)c1cscn1 ZINC000652380107 424347553 /nfs/dbraw/zinc/34/75/53/424347553.db2.gz FIUXYWMMIQBIES-JTQLQIEISA-N -1 3 295.389 1.458 10 0 CDAEHM CCN1CCC[C@H](NC(=O)c2c([O-])cc(F)cc2F)C1 ZINC000049449060 424403979 /nfs/dbraw/zinc/40/39/79/424403979.db2.gz CHCWCDVMGZONRM-JTQLQIEISA-N -1 3 284.306 1.885 10 0 CDAEHM CN(C[C@@H](O)C(F)(F)F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000652474103 424470917 /nfs/dbraw/zinc/47/09/17/424470917.db2.gz ORYKYXNTQXBXSI-GHMZBOCLSA-N -1 3 291.269 1.537 10 0 CDAEHM Cc1cnc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c([O-])c1 ZINC000655348101 424474009 /nfs/dbraw/zinc/47/40/09/424474009.db2.gz DRYTZMYELPTWQL-CHWSQXEVSA-N -1 3 289.379 1.842 10 0 CDAEHM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cccc(C)c2F)C1 ZINC000191044455 270288441 /nfs/dbraw/zinc/28/84/41/270288441.db2.gz OXWBJVDMACQQJP-MNOVXSKESA-N -1 3 287.356 1.980 10 0 CDAEHM C[C@@H]1CCC[C@@H](CCNC(=O)c2cn(C)c(=O)[n-]c2=O)C1 ZINC000523719889 270595750 /nfs/dbraw/zinc/59/57/50/270595750.db2.gz KTKABTXFBOABJU-MNOVXSKESA-N -1 3 293.367 1.432 10 0 CDAEHM C[C@@H]1OCC[C@@H]1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000526960024 270651655 /nfs/dbraw/zinc/65/16/55/270651655.db2.gz BZABDPJTSIHBJA-QXEWZRGKSA-N -1 3 265.313 1.047 10 0 CDAEHM CCc1ccc(C(=O)NC[C@@H](O)[C@@H]2CCCO2)c([O-])c1 ZINC000529770758 271033976 /nfs/dbraw/zinc/03/39/76/271033976.db2.gz OQJGNFVDXJAZIN-KGLIPLIRSA-N -1 3 279.336 1.224 10 0 CDAEHM COc1cccc([C@@H](C)N2CC[C@@](OC)(C(=O)[O-])C2)c1 ZINC000530171142 271128535 /nfs/dbraw/zinc/12/85/35/271128535.db2.gz PBTHPQUQVWATBA-ABAIWWIYSA-N -1 3 279.336 1.932 10 0 CDAEHM COc1cccc(C(=O)NCCc2cscn2)c1[O-] ZINC000108942505 279310689 /nfs/dbraw/zinc/31/06/89/279310689.db2.gz HRDSPALMLYMTMI-UHFFFAOYSA-N -1 3 278.333 1.830 10 0 CDAEHM Cc1cc(S(=O)(=O)[N-]CC2CC(O)C2)sc1Cl ZINC000231809444 280120422 /nfs/dbraw/zinc/12/04/22/280120422.db2.gz ZJMNHGNHGXWESY-UHFFFAOYSA-N -1 3 295.813 1.759 10 0 CDAEHM O=S(=O)([N-]CC[C@@H]1CCCOC1)c1ccco1 ZINC000528447913 281233299 /nfs/dbraw/zinc/23/32/99/281233299.db2.gz GMCRTWQXKMAPQM-JTQLQIEISA-N -1 3 259.327 1.375 10 0 CDAEHM Cc1cccc(S(=O)(=O)[N-][C@]23C[C@H]2COC3(C)C)c1F ZINC000528496546 281245472 /nfs/dbraw/zinc/24/54/72/281245472.db2.gz OJJYLYDBTGAIRZ-IINYFYTJSA-N -1 3 299.367 1.980 10 0 CDAEHM CC[C@H]1[C@@H](CO)CCN1C(=O)c1cccc(OC)c1[O-] ZINC000331322197 281271044 /nfs/dbraw/zinc/27/10/44/281271044.db2.gz MDHGLDQHGCURMR-PWSUYJOCSA-N -1 3 279.336 1.634 10 0 CDAEHM O=C(NCc1cccc(-c2ccccn2)c1)c1c[n-]nn1 ZINC000152973541 289152717 /nfs/dbraw/zinc/15/27/17/289152717.db2.gz ZIPCPMHQXWRKBY-UHFFFAOYSA-N -1 3 279.303 1.797 10 0 CDAEHM O=C(NCc1cccc(-c2ccccn2)c1)c1cnn[n-]1 ZINC000152973541 289152720 /nfs/dbraw/zinc/15/27/20/289152720.db2.gz ZIPCPMHQXWRKBY-UHFFFAOYSA-N -1 3 279.303 1.797 10 0 CDAEHM O=C(NCc1cccc(-c2ccccn2)c1)c1cn[n-]n1 ZINC000152973541 289152721 /nfs/dbraw/zinc/15/27/21/289152721.db2.gz ZIPCPMHQXWRKBY-UHFFFAOYSA-N -1 3 279.303 1.797 10 0 CDAEHM CCCC[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)C1CCC1 ZINC000153877662 289185474 /nfs/dbraw/zinc/18/54/74/289185474.db2.gz JWYDLPYUOPKYAL-QWRGUYRKSA-N -1 3 281.356 1.060 10 0 CDAEHM C[C@@]1(NC(=O)c2ccc3c(c2[O-])CCCC3)CCOC1=O ZINC000291961534 289200554 /nfs/dbraw/zinc/20/05/54/289200554.db2.gz FVUVHDCAHQJMJF-MRXNPFEDSA-N -1 3 289.331 1.706 10 0 CDAEHM CCC[C@@H](CC)NC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000547515235 289783463 /nfs/dbraw/zinc/78/34/63/289783463.db2.gz MLVDYSJPRYCMLF-SECBINFHSA-N -1 3 254.334 1.551 10 0 CDAEHM CCn1cc(CC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cn1 ZINC000547745742 289803439 /nfs/dbraw/zinc/80/34/39/289803439.db2.gz GHEDRDWSLNEMPS-UHFFFAOYSA-N -1 3 296.334 1.291 10 0 CDAEHM CC1(C)CC[C@@H](C(=O)N=c2cc3ccccn3[n-]2)O1 ZINC000553322804 290112201 /nfs/dbraw/zinc/11/22/01/290112201.db2.gz APBAZXGBCNWNBG-NSHDSACASA-N -1 3 259.309 1.652 10 0 CDAEHM CCc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)O3)c1[O-] ZINC000554812080 290193559 /nfs/dbraw/zinc/19/35/59/290193559.db2.gz LYCUIFJKQCGIEF-TXEJJXNPSA-N -1 3 277.320 1.194 10 0 CDAEHM Cc1cccc(N(C)C(=O)c2cc(=O)[n-]c(N(C)C)n2)n1 ZINC000555811201 290239118 /nfs/dbraw/zinc/23/91/18/290239118.db2.gz SHEWGUBAAGYPBL-UHFFFAOYSA-N -1 3 287.323 1.228 10 0 CDAEHM Cc1cc(C)c(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)o1 ZINC000559255323 290441374 /nfs/dbraw/zinc/44/13/74/290441374.db2.gz CAFPHTUWWITMFH-JTQLQIEISA-N -1 3 289.339 1.415 10 0 CDAEHM O=C(Cn1ccnc1)[N-]c1nncn1-c1ccccc1 ZINC000562819922 293205697 /nfs/dbraw/zinc/20/56/97/293205697.db2.gz LABGWXHXFINFDE-UHFFFAOYSA-N -1 3 268.280 1.103 10 0 CDAEHM CCCCCNC(=O)CN1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000563123182 293282053 /nfs/dbraw/zinc/28/20/53/293282053.db2.gz CIUJQWDAOXHZSK-VXGBXAGGSA-N -1 3 270.373 1.335 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C1[C@@H]2CCCC[C@H]12 ZINC000131444947 293351721 /nfs/dbraw/zinc/35/17/21/293351721.db2.gz OUAQITIFDNFFFJ-JVHMLUBASA-N -1 3 263.297 1.571 10 0 CDAEHM Cc1cc(=O)c(C(=O)NCc2ncccc2[O-])cn1C1CC1 ZINC000568920943 294124126 /nfs/dbraw/zinc/12/41/26/294124126.db2.gz JZUKQUMFNNGWRO-UHFFFAOYSA-N -1 3 299.330 1.522 10 0 CDAEHM CCC[C@H](C)[C@@H](CO)NC(=O)c1cccc2nn[n-]c21 ZINC000570935645 294337057 /nfs/dbraw/zinc/33/70/57/294337057.db2.gz ZFKBCSQOKSRKJC-JOYOIKCWSA-N -1 3 276.340 1.485 10 0 CDAEHM CCC[C@H](C)[C@@H](CO)NC(=O)c1cccc2[n-]nnc21 ZINC000570935645 294337058 /nfs/dbraw/zinc/33/70/58/294337058.db2.gz ZFKBCSQOKSRKJC-JOYOIKCWSA-N -1 3 276.340 1.485 10 0 CDAEHM CCC[C@H](C)[C@@H](CO)NC(=O)c1cccc2n[n-]nc21 ZINC000570935645 294337060 /nfs/dbraw/zinc/33/70/60/294337060.db2.gz ZFKBCSQOKSRKJC-JOYOIKCWSA-N -1 3 276.340 1.485 10 0 CDAEHM O=C(CNC(=O)c1cccc([O-])c1)N1CC[C@H]1C1CC1 ZINC000574606494 295026333 /nfs/dbraw/zinc/02/63/33/295026333.db2.gz NPEBSHMNUSUCFD-ZDUSSCGKSA-N -1 3 274.320 1.133 10 0 CDAEHM O=C(NCc1ncccc1[O-])NC[C@H]1Cc2ccccc2O1 ZINC000349422239 316123663 /nfs/dbraw/zinc/12/36/63/316123663.db2.gz HQXPYNBYXXTDNR-GFCCVEGCSA-N -1 3 299.330 1.590 10 0 CDAEHM CC(C)(C)[C@H]1CCN(C(=O)Cc2cncc([O-])c2)C[C@H]1O ZINC000566688927 316660170 /nfs/dbraw/zinc/66/01/70/316660170.db2.gz LMTXJEXSWMPNJD-UONOGXRCSA-N -1 3 292.379 1.585 10 0 CDAEHM CC[C@H](O)CC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000575806500 317018019 /nfs/dbraw/zinc/01/80/19/317018019.db2.gz NCSSALWGSWLEQW-VIFPVBQESA-N -1 3 251.282 1.694 10 0 CDAEHM C[C@H](C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1)C1CCC1 ZINC000576641965 317179525 /nfs/dbraw/zinc/17/95/25/317179525.db2.gz YXRBPCDGYOFREV-GXSJLCMTSA-N -1 3 277.372 1.327 10 0 CDAEHM CC1(C)CC[C@@H](c2nc(-c3cc(=O)[n-]cn3)no2)O1 ZINC000351367624 323588321 /nfs/dbraw/zinc/58/83/21/323588321.db2.gz IZUJLXNQPHWPJT-QMMMGPOBSA-N -1 3 262.269 1.862 10 0 CDAEHM CCCCS(=O)(=O)[N-][C@@H](C[C@H](C)CC)C(=O)OC ZINC000579348346 324163298 /nfs/dbraw/zinc/16/32/98/324163298.db2.gz CWFTVOHJVPPRKC-MNOVXSKESA-N -1 3 279.402 1.684 10 0 CDAEHM CN(C)c1ccc(C[N-]S(=O)(=O)c2cscn2)cn1 ZINC000579469340 324194354 /nfs/dbraw/zinc/19/43/54/324194354.db2.gz ZIUZWOBZDOOQTH-UHFFFAOYSA-N -1 3 298.393 1.083 10 0 CDAEHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccccn1 ZINC000579960052 324329640 /nfs/dbraw/zinc/32/96/40/324329640.db2.gz RHPQPIGBPBMEKF-WDEREUQCSA-N -1 3 272.370 1.157 10 0 CDAEHM COCc1cccc(C[N-]S(=O)(=O)c2cscn2)c1 ZINC000583931728 325269181 /nfs/dbraw/zinc/26/91/81/325269181.db2.gz BBAHSDPYRFROEI-UHFFFAOYSA-N -1 3 298.389 1.768 10 0 CDAEHM CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](CC(=O)[O-])CC(C)C ZINC000227688610 333247751 /nfs/dbraw/zinc/24/77/51/333247751.db2.gz RKXTZRUEBBDKMD-DMDPSCGWSA-N -1 3 272.389 1.613 10 0 CDAEHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000668443807 482440207 /nfs/dbraw/zinc/44/02/07/482440207.db2.gz GCEOAOWRHDYNHO-ITGUQSILSA-N -1 3 283.335 1.529 10 0 CDAEHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000668443807 482440208 /nfs/dbraw/zinc/44/02/08/482440208.db2.gz GCEOAOWRHDYNHO-ITGUQSILSA-N -1 3 283.335 1.529 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCCCC[C@@H]1CCO ZINC000671896027 482497120 /nfs/dbraw/zinc/49/71/20/482497120.db2.gz HQVYUQQLLMIGNH-LLVKDONJSA-N -1 3 279.336 1.865 10 0 CDAEHM CCN1CCC[C@H](NC(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC000226931075 482500863 /nfs/dbraw/zinc/50/08/63/482500863.db2.gz SQARALUSYJYZAQ-NWDGAFQWSA-N -1 3 285.388 1.127 10 0 CDAEHM COCc1cncc(C(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000680930188 482623069 /nfs/dbraw/zinc/62/30/69/482623069.db2.gz CTWXBVSKGOLXIJ-UHFFFAOYSA-N -1 3 299.290 1.858 10 0 CDAEHM COCc1cncc(C(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000680930188 482623074 /nfs/dbraw/zinc/62/30/74/482623074.db2.gz CTWXBVSKGOLXIJ-UHFFFAOYSA-N -1 3 299.290 1.858 10 0 CDAEHM COCc1cncc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000680930188 482623076 /nfs/dbraw/zinc/62/30/76/482623076.db2.gz CTWXBVSKGOLXIJ-UHFFFAOYSA-N -1 3 299.290 1.858 10 0 CDAEHM O=C(NCc1ncccc1[O-])C1(C(F)(F)F)CC1 ZINC000684350163 482767336 /nfs/dbraw/zinc/76/73/36/482767336.db2.gz GSZYNLQSCDNQGQ-UHFFFAOYSA-N -1 3 260.215 1.746 10 0 CDAEHM COCCN(C/C=C/c1ccccc1OC)CC(=O)[O-] ZINC000666578497 482780553 /nfs/dbraw/zinc/78/05/53/482780553.db2.gz AUYFXKKOJJWSJX-FNORWQNLSA-N -1 3 279.336 1.741 10 0 CDAEHM CCO[C@H]1CCCN(Cc2ncccc2C(=O)[O-])C1 ZINC000388902853 482783333 /nfs/dbraw/zinc/78/33/33/482783333.db2.gz NAPICOVJMNEPHH-NSHDSACASA-N -1 3 264.325 1.781 10 0 CDAEHM CN(CC(=O)Nc1c([O-])cccc1F)[C@@H]1CCSC1 ZINC000677891321 482825936 /nfs/dbraw/zinc/82/59/36/482825936.db2.gz LQKPNZOLQUGULH-SECBINFHSA-N -1 3 284.356 1.907 10 0 CDAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2)c2ncnn21 ZINC000657064880 482836714 /nfs/dbraw/zinc/83/67/14/482836714.db2.gz USJZLDCCHYLWEF-LDYMZIIASA-N -1 3 296.327 1.402 10 0 CDAEHM CN(C)c1nc(C(=O)N2CCC(F)(F)CC2)cc(=O)[n-]1 ZINC000684519716 482862561 /nfs/dbraw/zinc/86/25/61/482862561.db2.gz GSVDPCSEBQSBOX-UHFFFAOYSA-N -1 3 286.282 1.120 10 0 CDAEHM C[C@@H](CNC(=O)c1ccc2n[n-]nc2c1)c1ccncc1 ZINC000674126856 482949963 /nfs/dbraw/zinc/94/99/63/482949963.db2.gz XIZWIKYVGGMJOV-JTQLQIEISA-N -1 3 281.319 1.886 10 0 CDAEHM CC1=C[C@H](C)CN(C(=O)c2cccc3[n-]nnc32)C1 ZINC000684758792 482955425 /nfs/dbraw/zinc/95/54/25/482955425.db2.gz JDSVYOVTUPTMPD-VIFPVBQESA-N -1 3 256.309 1.996 10 0 CDAEHM CC1=C[C@H](C)CN(C(=O)c2cccc3nn[n-]c32)C1 ZINC000684758792 482955428 /nfs/dbraw/zinc/95/54/28/482955428.db2.gz JDSVYOVTUPTMPD-VIFPVBQESA-N -1 3 256.309 1.996 10 0 CDAEHM CC1=C[C@H](C)CN(C(=O)c2cccc3n[n-]nc32)C1 ZINC000684758792 482955431 /nfs/dbraw/zinc/95/54/31/482955431.db2.gz JDSVYOVTUPTMPD-VIFPVBQESA-N -1 3 256.309 1.996 10 0 CDAEHM CCN(CC)CCS(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000685599598 483179760 /nfs/dbraw/zinc/17/97/60/483179760.db2.gz ZAUYZLPGEXCCOY-JTQLQIEISA-N -1 3 284.372 1.435 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(OCCCO)CC2)n1 ZINC000684093456 483205049 /nfs/dbraw/zinc/20/50/49/483205049.db2.gz UVDYNNNOGKHZIB-LBPRGKRZSA-N -1 3 295.383 1.415 10 0 CDAEHM C[C@H](NC(=O)c1cc(=O)[n-]c(N(C)C)n1)c1ccsc1 ZINC000669917942 483266383 /nfs/dbraw/zinc/26/63/83/483266383.db2.gz OWFHBYVZNYYPFD-QMMMGPOBSA-N -1 3 292.364 1.801 10 0 CDAEHM Cc1cc(C(=O)N2C[C@@H](O)CC(F)(F)C2)ccc1[O-] ZINC000682591973 483298050 /nfs/dbraw/zinc/29/80/50/483298050.db2.gz VWLINPGMGBNAPJ-JTQLQIEISA-N -1 3 271.263 1.543 10 0 CDAEHM Cn1cc(C[N-]S(=O)(=O)c2ccc(Cl)s2)nn1 ZINC000679935393 483484378 /nfs/dbraw/zinc/48/43/78/483484378.db2.gz FEXZFXPRQSQHBT-UHFFFAOYSA-N -1 3 292.773 1.009 10 0 CDAEHM CCCN(CCN(C)C)c1cccc(C(=O)[O-])n1 ZINC000051067435 521658601 /nfs/dbraw/zinc/65/86/01/521658601.db2.gz FMNVSOXEGRYFGI-UHFFFAOYSA-N -1 3 251.330 1.558 10 0 CDAEHM COc1ccc([O-])c(C(=O)NCC[C@@H](C)[S@@](C)=O)c1 ZINC000158227181 534196258 /nfs/dbraw/zinc/19/62/58/534196258.db2.gz LNSOWLAKEFUBAJ-HOGDKLEQSA-N -1 3 285.365 1.288 10 0 CDAEHM CC(C)C[C@H](C)N(C)C(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000061146126 519311603 /nfs/dbraw/zinc/31/16/03/519311603.db2.gz RHLSYQMOOBBJBB-ZDUSSCGKSA-N -1 3 299.415 1.565 10 0 CDAEHM CC(C)Cn1ncc(NC(=O)c2cnn[n-]2)c1C(F)F ZINC000340814916 519538486 /nfs/dbraw/zinc/53/84/86/519538486.db2.gz GZJLBEGUFYAYMM-UHFFFAOYSA-N -1 3 284.270 1.847 10 0 CDAEHM CC(C)Cn1ncc(NC(=O)c2c[n-]nn2)c1C(F)F ZINC000340814916 519538492 /nfs/dbraw/zinc/53/84/92/519538492.db2.gz GZJLBEGUFYAYMM-UHFFFAOYSA-N -1 3 284.270 1.847 10 0 CDAEHM CC(C)Cn1ncc(NC(=O)c2cn[n-]n2)c1C(F)F ZINC000340814916 519538501 /nfs/dbraw/zinc/53/85/01/519538501.db2.gz GZJLBEGUFYAYMM-UHFFFAOYSA-N -1 3 284.270 1.847 10 0 CDAEHM CC(C)NC(=O)[C@H](C)N1CCC(CCC(=O)[O-])CC1 ZINC000050926435 519715091 /nfs/dbraw/zinc/71/50/91/519715091.db2.gz 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/nfs/dbraw/zinc/51/71/17/520517117.db2.gz OSODLEUZGQOURO-CHWSQXEVSA-N -1 3 284.400 1.963 10 0 CDAEHM CCC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000062918265 520946146 /nfs/dbraw/zinc/94/61/46/520946146.db2.gz OPXLFIBWZZMFOX-GXFFZTMASA-N -1 3 256.346 1.073 10 0 CDAEHM CCC[C@H](C)NC(=O)CN(CC)[C@@H](C)CC(=O)[O-] ZINC000061183519 521046188 /nfs/dbraw/zinc/04/61/88/521046188.db2.gz SFRSEMPJACLONV-QWRGUYRKSA-N -1 3 258.362 1.476 10 0 CDAEHM CCC[C@](C)(NC(=O)[C@H](CN)c1ccccc1)C(=O)[O-] ZINC000061612504 521282590 /nfs/dbraw/zinc/28/25/90/521282590.db2.gz WBRWPFFSVSFWJN-DOMZBBRYSA-N -1 3 278.352 1.489 10 0 CDAEHM CCN1CCC[C@@H](Nc2nccnc2C(=O)[O-])C1 ZINC000054529712 521627899 /nfs/dbraw/zinc/62/78/99/521627899.db2.gz XZSDDSQOIYBLLU-SECBINFHSA-N -1 3 250.302 1.071 10 0 CDAEHM CCSc1ccccc1NC(=O)c1nnc(N)[n-]1 ZINC000055166840 521778276 /nfs/dbraw/zinc/77/82/76/521778276.db2.gz UHXPRYRVYZGVFQ-UHFFFAOYSA-N -1 3 263.326 1.751 10 0 CDAEHM CCSc1ccccc1NC(=O)c1nc(N)n[n-]1 ZINC000055166840 521778282 /nfs/dbraw/zinc/77/82/82/521778282.db2.gz UHXPRYRVYZGVFQ-UHFFFAOYSA-N -1 3 263.326 1.751 10 0 CDAEHM CN(C)C[C@@H]1CCCN1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000061653967 521833313 /nfs/dbraw/zinc/83/33/13/521833313.db2.gz XQUQVZKLOFJUHT-NSHDSACASA-N -1 3 285.388 1.365 10 0 CDAEHM COCC[C@H](N)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000052809299 521946444 /nfs/dbraw/zinc/94/64/44/521946444.db2.gz PERZFXYTUARJIC-VIFPVBQESA-N -1 3 286.715 1.341 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000052880787 521955710 /nfs/dbraw/zinc/95/57/10/521955710.db2.gz RVNFEZJTLBFLSJ-WBIUFABUSA-N -1 3 278.352 1.476 10 0 CDAEHM CC[C@H](CC(=O)[O-])N1CCN(c2ccccn2)CC1 ZINC000062750668 522111901 /nfs/dbraw/zinc/11/19/01/522111901.db2.gz FCJXDGWEOMIDGA-GFCCVEGCSA-N -1 3 263.341 1.457 10 0 CDAEHM CNCc1cccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)c1 ZINC000068688678 522130670 /nfs/dbraw/zinc/13/06/70/522130670.db2.gz HETNOHSFZYEGSA-RYUDHWBXSA-N -1 3 276.336 1.701 10 0 CDAEHM COc1cc(C)nc(CN[C@]2(C(=O)[O-])CCSC2)c1 ZINC000340677574 522292880 /nfs/dbraw/zinc/29/28/80/522292880.db2.gz LEGNJDIQWJUCNV-CYBMUJFWSA-N -1 3 282.365 1.449 10 0 CDAEHM CN[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000054075751 522322614 /nfs/dbraw/zinc/32/26/14/522322614.db2.gz LVHNPLUDUQFBFK-LURJTMIESA-N -1 3 256.689 1.585 10 0 CDAEHM CN[C@H](C)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000061564438 522438424 /nfs/dbraw/zinc/43/84/24/522438424.db2.gz LTCRAYWPIYTFNR-RXMQYKEDSA-N -1 3 258.224 1.209 10 0 CDAEHM COc1cc(CN[C@]2(C(=O)[O-])CCOC2)cc(OC)c1 ZINC000340685814 522490063 /nfs/dbraw/zinc/49/00/63/522490063.db2.gz TWLZKNHUZLCTRY-CQSZACIVSA-N -1 3 281.308 1.037 10 0 CDAEHM CC[C@@H](NC(=O)N[C@H](C)CN1CCCCC1)C(=O)[O-] ZINC000049502785 522742877 /nfs/dbraw/zinc/74/28/77/522742877.db2.gz DMCNILIFFCZSLR-GHMZBOCLSA-N -1 3 271.361 1.023 10 0 CDAEHM CN(CCN1CCCC1)C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000063054708 522825876 /nfs/dbraw/zinc/82/58/76/522825876.db2.gz BDGWLUDWXSKCBK-OLZOCXBDSA-N -1 3 297.399 1.367 10 0 CDAEHM CCn1c(=O)[n-]nc1SC[C@](C)(O)c1ccccc1 ZINC000061596048 523092800 /nfs/dbraw/zinc/09/28/00/523092800.db2.gz KUGHSICHSGELEO-ZDUSSCGKSA-N -1 3 279.365 1.591 10 0 CDAEHM CC[C@@H]1CC[C@H](C(=O)[O-])[C@H](N2CCO[C@H](C)C2)C1 ZINC000062750390 523361418 /nfs/dbraw/zinc/36/14/18/523361418.db2.gz RMSFRLWEBPAYIT-FVCCEPFGSA-N -1 3 255.358 1.987 10 0 CDAEHM CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)[O-])CN2CCC1CC2 ZINC000069550774 523892481 /nfs/dbraw/zinc/89/24/81/523892481.db2.gz FUGJOMMZXMSYHS-AWEZNQCLSA-N -1 3 284.356 1.402 10 0 CDAEHM COCCNCc1cc(C)c(O[C@H](C)C(=O)[O-])c(C)c1 ZINC000062728706 523948859 /nfs/dbraw/zinc/94/88/59/523948859.db2.gz SWMPKEKPGYTRDU-GFCCVEGCSA-N -1 3 281.352 1.891 10 0 CDAEHM COCCNCc1ccc(OC)cc1O[C@H](C)C(=O)[O-] ZINC000062733345 523952745 /nfs/dbraw/zinc/95/27/45/523952745.db2.gz XAPZZLUXSHQOEA-SNVBAGLBSA-N -1 3 283.324 1.283 10 0 CDAEHM C[C@H](CN1CCCC1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000049188760 524316932 /nfs/dbraw/zinc/31/69/32/524316932.db2.gz NSFQBELSJDJSQC-LLVKDONJSA-N -1 3 276.336 1.599 10 0 CDAEHM C[C@@H](CN1CCCC1)NC(=O)c1cccc(C(=O)[O-])c1 ZINC000049188751 524593679 /nfs/dbraw/zinc/59/36/79/524593679.db2.gz RCSCPVLYPSRBPM-NSHDSACASA-N -1 3 276.336 1.599 10 0 CDAEHM C[C@@H](CN1CCCCC1)NC(=O)NC(C)(C)C(=O)[O-] ZINC000049502827 524603005 /nfs/dbraw/zinc/60/30/05/524603005.db2.gz UEFAUNJPHKCVLW-JTQLQIEISA-N -1 3 271.361 1.023 10 0 CDAEHM C[C@@H](CN1CCCCC1)n1cnnc1SCC(=O)[O-] ZINC000049502302 524610738 /nfs/dbraw/zinc/61/07/38/524610738.db2.gz YKQJQUWNXSNDLT-JTQLQIEISA-N -1 3 284.385 1.502 10 0 CDAEHM COc1ccc([O-])c(C(=O)NC2(C(F)F)CC2)c1 ZINC000337243512 524726290 /nfs/dbraw/zinc/72/62/90/524726290.db2.gz GNOUVQPUGRXORL-UHFFFAOYSA-N -1 3 257.236 1.928 10 0 CDAEHM Cc1cc(CN[C@]2(C(=O)[O-])CCOC2)cc2cccnc12 ZINC000340680244 524785387 /nfs/dbraw/zinc/78/53/87/524785387.db2.gz OKTNFNCNBLSLIH-MRXNPFEDSA-N -1 3 286.331 1.877 10 0 CDAEHM C[C@H]1C[C@@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000049218856 524845207 /nfs/dbraw/zinc/84/52/07/524845207.db2.gz XEPPKMSADGJLPK-VHSXEESVSA-N -1 3 256.305 1.914 10 0 CDAEHM COc1cccc(C(=O)NCCCSC)c1[O-] ZINC000069455969 525815757 /nfs/dbraw/zinc/81/57/57/525815757.db2.gz PWIWWZALMKBRGL-UHFFFAOYSA-N -1 3 255.339 1.884 10 0 CDAEHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc[nH]1 ZINC000068974146 526648141 /nfs/dbraw/zinc/64/81/41/526648141.db2.gz GIEARZJHGJTEGH-UHFFFAOYSA-N -1 3 268.280 1.125 10 0 CDAEHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc[nH]1 ZINC000068974146 526648143 /nfs/dbraw/zinc/64/81/43/526648143.db2.gz GIEARZJHGJTEGH-UHFFFAOYSA-N -1 3 268.280 1.125 10 0 CDAEHM Nc1ccccc1CS(=O)(=O)[N-]c1cccnc1 ZINC000050101914 527526706 /nfs/dbraw/zinc/52/67/06/527526706.db2.gz PANLAKNENXKWFD-UHFFFAOYSA-N -1 3 263.322 1.606 10 0 CDAEHM O=C([O-])/C=C/c1ccc(CN2CCC[C@@H](O)C2)cc1 ZINC000049625629 527545772 /nfs/dbraw/zinc/54/57/72/527545772.db2.gz OWAOVCJTWFNZDG-HSBSLETESA-N -1 3 261.321 1.741 10 0 CDAEHM O=C([O-])[C@@H](NC[C@H]1CCCO1)c1cc(F)c(F)c(F)c1 ZINC000062713539 527654851 /nfs/dbraw/zinc/65/48/51/527654851.db2.gz WTVCTAZQXDLNBG-PELKAZGASA-N -1 3 289.253 1.998 10 0 CDAEHM Cc1nccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)n1 ZINC000119471073 538175682 /nfs/dbraw/zinc/17/56/82/538175682.db2.gz DILYCTCHTIDSHM-UHFFFAOYSA-N -1 3 283.295 1.161 10 0 CDAEHM Cc1nccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)n1 ZINC000119471073 538175689 /nfs/dbraw/zinc/17/56/89/538175689.db2.gz DILYCTCHTIDSHM-UHFFFAOYSA-N -1 3 283.295 1.161 10 0 CDAEHM Cc1cc(=O)c2c([O-])c3c(cc2o1)O[C@@H](C(C)(C)O)C3 ZINC000014829818 560227108 /nfs/dbraw/zinc/22/71/08/560227108.db2.gz LJSWMDKKEBOERP-GFCCVEGCSA-N -1 3 276.288 1.881 10 0 biogenic,in-vitro CDAEHM C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)CN1CC[C@H](C)C1 ZINC000725803337 574437759 /nfs/dbraw/zinc/43/77/59/574437759.db2.gz IACOURZKQRJWNP-RYUDHWBXSA-N -1 3 276.384 1.556 10 0 CDAEHM CC(C)(C)n1cc([C@H]2CC[C@H](C(=O)[O-])CN2)cn1 ZINC000757237249 574911137 /nfs/dbraw/zinc/91/11/37/574911137.db2.gz PRXQGWPDRMPFSV-GXSJLCMTSA-N -1 3 251.330 1.763 10 0 CDAEHM CCCC[C@@H](CCC)OC(=O)CN1CC(=O)[N-]C1=O ZINC000732356530 575087982 /nfs/dbraw/zinc/08/79/82/575087982.db2.gz JHKUTDIKAKIIJP-SNVBAGLBSA-N -1 3 270.329 1.440 10 0 CDAEHM CC(C)(C)C(=O)[N-]OCc1cn(-c2ccccc2)nn1 ZINC000732805515 575097246 /nfs/dbraw/zinc/09/72/46/575097246.db2.gz DXZNGGAJWGCPGA-UHFFFAOYSA-N -1 3 274.324 1.861 10 0 CDAEHM CCCn1cc([N-]S(=O)(=O)c2ccc(C)o2)ccc1=O ZINC000773230082 575793552 /nfs/dbraw/zinc/79/35/52/575793552.db2.gz BNSRIMZAUSVDGB-UHFFFAOYSA-N -1 3 296.348 1.961 10 0 CDAEHM CCC[C@H]1CN(Cc2nc(C)cc(=O)[n-]2)CCO1 ZINC000759417649 576387360 /nfs/dbraw/zinc/38/73/60/576387360.db2.gz GEWCLSYJBXSDOO-NSHDSACASA-N -1 3 251.330 1.492 10 0 CDAEHM O=C1C[C@@H](c2cccc(NC([O-])=NOCC(F)F)c2)CN1 ZINC000759994354 576451418 /nfs/dbraw/zinc/45/14/18/576451418.db2.gz MFLVQNFTLRMOEF-SECBINFHSA-N -1 3 299.277 1.608 10 0 CDAEHM O=C([N-]OCC(F)F)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000759994354 576451420 /nfs/dbraw/zinc/45/14/20/576451420.db2.gz MFLVQNFTLRMOEF-SECBINFHSA-N -1 3 299.277 1.608 10 0 CDAEHM CC(C)C(C)(C)SCc1cc(=O)n2nc(N)[n-]c2n1 ZINC000762974709 576698078 /nfs/dbraw/zinc/69/80/78/576698078.db2.gz SGGBIBPYERWMTP-UHFFFAOYSA-N -1 3 281.385 1.668 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCOC(C)(C)[C@@H]2C)n1 ZINC000763631826 576744669 /nfs/dbraw/zinc/74/46/69/576744669.db2.gz RUXRDJGUCFULGH-JTQLQIEISA-N -1 3 251.330 1.490 10 0 CDAEHM C[C@H](Cn1cncn1)[N-]C(=O)C(F)(F)c1nccs1 ZINC000756475106 576991568 /nfs/dbraw/zinc/99/15/68/576991568.db2.gz XFLITGVMGYRVJT-SSDOTTSWSA-N -1 3 287.295 1.031 10 0 CDAEHM O=C(OCc1cc(=O)c([O-])co1)c1ccc(C2CC2)cn1 ZINC000756643625 576998422 /nfs/dbraw/zinc/99/84/22/576998422.db2.gz RLHJSLMBMFZBJA-UHFFFAOYSA-N -1 3 287.271 1.975 10 0 CDAEHM CCc1cc(NC([O-])=NOCc2cccnc2)no1 ZINC000756690130 576999910 /nfs/dbraw/zinc/99/99/10/576999910.db2.gz YVYXQLZWQGYCPA-UHFFFAOYSA-N -1 3 262.269 1.885 10 0 CDAEHM CCc1cc(NC(=O)[N-]OCc2cccnc2)no1 ZINC000756690130 576999912 /nfs/dbraw/zinc/99/99/12/576999912.db2.gz YVYXQLZWQGYCPA-UHFFFAOYSA-N -1 3 262.269 1.885 10 0 CDAEHM 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282.431 1.517 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000894734710 619033556 /nfs/dbraw/zinc/03/35/56/619033556.db2.gz RZBSGWAGICFKRJ-QMTHXVAHSA-N -1 3 277.320 1.739 10 0 CDAEHM COC[C@@H](NC(=O)c1ccccc1[O-])[C@H]1CCCOC1 ZINC000894851978 619097212 /nfs/dbraw/zinc/09/72/12/619097212.db2.gz NPHJFTVLZSNVNO-WCQYABFASA-N -1 3 279.336 1.564 10 0 CDAEHM c1nc(C2CC2)cc(N2CCC(c3nnn[n-]3)CC2)n1 ZINC000895006373 619192002 /nfs/dbraw/zinc/19/20/02/619192002.db2.gz OQSBILROPFIJAK-UHFFFAOYSA-N -1 3 271.328 1.251 10 0 CDAEHM c1nc(C2CC2)cc(N2CCC(c3nn[n-]n3)CC2)n1 ZINC000895006373 619192004 /nfs/dbraw/zinc/19/20/04/619192004.db2.gz OQSBILROPFIJAK-UHFFFAOYSA-N -1 3 271.328 1.251 10 0 CDAEHM CCOC(=O)c1nc([C@H](C)NCc2cnc(C)s2)n[n-]1 ZINC000895233541 619474067 /nfs/dbraw/zinc/47/40/67/619474067.db2.gz DOVUMQSKXDWQPD-ZETCQYMHSA-N -1 3 295.368 1.597 10 0 CDAEHM CCOC(=O)c1nnc([C@H](C)NCc2cnc(C)s2)[n-]1 ZINC000895233541 619474068 /nfs/dbraw/zinc/47/40/68/619474068.db2.gz 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COc1cccc(C(=O)NC[C@H](CO)C2CC2)c1[O-] ZINC000436615702 361543010 /nfs/dbraw/zinc/54/30/10/361543010.db2.gz BOVLWVADQNNMIR-SNVBAGLBSA-N -1 3 265.309 1.149 10 0 CDAEHM CNC(=O)c1ccc(CNC(=O)c2cccc([O-])c2)cc1 ZINC000357202797 366827079 /nfs/dbraw/zinc/82/70/79/366827079.db2.gz JUMPWHBGUVOQPU-UHFFFAOYSA-N -1 3 284.315 1.682 10 0 CDAEHM CCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@@H]1CCOC1 ZINC000436830426 361584892 /nfs/dbraw/zinc/58/48/92/361584892.db2.gz DALGWGLONSSVLD-GFCCVEGCSA-N -1 3 292.335 1.602 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000629138125 361633452 /nfs/dbraw/zinc/63/34/52/361633452.db2.gz HKVBMKOIOALBQR-BXUZGUMPSA-N -1 3 261.321 1.998 10 0 CDAEHM O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1c[n-]c2ccccc2c1=O ZINC000629138248 361633630 /nfs/dbraw/zinc/63/36/30/361633630.db2.gz YDRNKJCIGFGKLC-NHYWBVRUSA-N -1 3 298.342 1.825 10 0 CDAEHM CN(C(=O)C(=O)c1ccc([O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000436956947 361620825 /nfs/dbraw/zinc/62/08/25/361620825.db2.gz UYEMGQUSOLLAGN-ZDUSSCGKSA-N 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/nfs/dbraw/zinc/78/36/57/364783657.db2.gz ZLALSLOBMHTKAC-SNVBAGLBSA-N -1 3 284.381 1.151 10 0 CDAEHM CCCn1c(=O)[n-]nc1SCc1conc1C ZINC000580214376 364920171 /nfs/dbraw/zinc/92/01/71/364920171.db2.gz UBGGUIOCMJUKRV-UHFFFAOYSA-N -1 3 254.315 1.982 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2CCO[C@@H](C3CC3)C2)cc1[O-] ZINC000412262443 240122275 /nfs/dbraw/zinc/12/22/75/240122275.db2.gz RBRCPQWRJOYHCS-OAHLLOKOSA-N -1 3 289.331 1.846 10 0 CDAEHM Cc1noc(C)c1CNC(=O)NCc1ncccc1[O-] ZINC000471724665 364963482 /nfs/dbraw/zinc/96/34/82/364963482.db2.gz ITCBZZPTLMGGOX-UHFFFAOYSA-N -1 3 276.296 1.391 10 0 CDAEHM CCc1[n-][nH]c(=NC(=O)c2cnn(CCF)c2)c1C ZINC000353357579 365157230 /nfs/dbraw/zinc/15/72/30/365157230.db2.gz WHUYWPSKDCVZHW-UHFFFAOYSA-N -1 3 265.292 1.121 10 0 CDAEHM NC(=O)C[C@@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000272726692 365367885 /nfs/dbraw/zinc/36/78/85/365367885.db2.gz IWIUJVDFDBSZKC-JTQLQIEISA-N -1 3 262.309 1.120 10 0 CDAEHM O=C(CCNC(=O)c1cccc([O-])c1)NCc1cccnc1 ZINC000357347507 366932900 /nfs/dbraw/zinc/93/29/00/366932900.db2.gz PKRMUNRUNOORHN-UHFFFAOYSA-N -1 3 299.330 1.224 10 0 CDAEHM Cc1cccc(C(=O)N(C[C@@H]2CCC(=O)N2)C(C)C)c1[O-] ZINC000414015229 241024682 /nfs/dbraw/zinc/02/46/82/241024682.db2.gz KLWBIYRPTRIIKU-LBPRGKRZSA-N -1 3 290.363 1.830 10 0 CDAEHM CC1CCC(C)(CNC(=O)c2[nH]c(=O)[n-]c(=O)c2N)CC1 ZINC000357377040 366960128 /nfs/dbraw/zinc/96/01/28/366960128.db2.gz KHWUMHSGFBLESM-UHFFFAOYSA-N -1 3 294.355 1.416 10 0 CDAEHM CC(C)(O)C(C)(C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000225925212 367357288 /nfs/dbraw/zinc/35/72/88/367357288.db2.gz GKJDROUOCOAJSM-UHFFFAOYSA-N -1 3 288.347 1.807 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)C[C@H](C)O)o1 ZINC000358422189 367672673 /nfs/dbraw/zinc/67/26/73/367672673.db2.gz AZNGWAUSSZSQDM-IUCAKERBSA-N -1 3 261.343 1.273 10 0 CDAEHM CCCCOCC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358427599 367676341 /nfs/dbraw/zinc/67/63/41/367676341.db2.gz NALLEKIZVPUCND-UHFFFAOYSA-N -1 3 261.343 1.683 10 0 CDAEHM CC[C@H](CS(=O)(=O)[N-][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)OC ZINC000528543694 367890255 /nfs/dbraw/zinc/89/02/55/367890255.db2.gz DLNZTXVLYVEAHZ-IIRVCBMXSA-N -1 3 279.402 1.143 10 0 CDAEHM C[C@]1(C(=O)Nc2ccc(Cl)cc2[O-])CCC(=O)NC1 ZINC000282900051 368093904 /nfs/dbraw/zinc/09/39/04/368093904.db2.gz WSEIEQPOHIEIRK-ZDUSSCGKSA-N -1 3 282.727 1.900 10 0 CDAEHM CCc1cccc(C(=O)N[C@](C)(CCO)COC)c1[O-] ZINC000540900424 368565629 /nfs/dbraw/zinc/56/56/29/368565629.db2.gz QCDRYNCPJWKMNT-OAHLLOKOSA-N -1 3 281.352 1.472 10 0 CDAEHM CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccoc1)C(=O)OC ZINC000567230790 370924222 /nfs/dbraw/zinc/92/42/22/370924222.db2.gz IHHZPVPGHRWKMW-GXSJLCMTSA-N -1 3 289.353 1.536 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCN2CCC(C)CC2)o1 ZINC000330648692 203077415 /nfs/dbraw/zinc/07/74/15/203077415.db2.gz IPCFUWOEHJIHIT-UHFFFAOYSA-N -1 3 286.397 1.598 10 0 CDAEHM Cc1ccc(O)c(CNC2(c3nn[n-]n3)CCCC2)n1 ZINC000547448956 369550009 /nfs/dbraw/zinc/55/00/09/369550009.db2.gz PRNDUWFRPLRQCH-UHFFFAOYSA-N -1 3 274.328 1.168 10 0 CDAEHM Cc1ccc(O)c(CNC2(c3nnn[n-]3)CCCC2)n1 ZINC000547448956 369550016 /nfs/dbraw/zinc/55/00/16/369550016.db2.gz PRNDUWFRPLRQCH-UHFFFAOYSA-N -1 3 274.328 1.168 10 0 CDAEHM COc1cc(=NC(=O)c2cccc(OC)c2F)[n-]n1C ZINC000547537578 369581147 /nfs/dbraw/zinc/58/11/47/369581147.db2.gz MYLWOAMXNBJCKX-UHFFFAOYSA-N -1 3 279.271 1.251 10 0 CDAEHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000289627068 369595697 /nfs/dbraw/zinc/59/56/97/369595697.db2.gz RRPQPILMCGYISN-HTQZYQBOSA-N -1 3 278.761 1.437 10 0 CDAEHM COc1cc(=NC(=O)[C@H](C)c2cccc(F)c2)[n-]n1C ZINC000547815415 369654185 /nfs/dbraw/zinc/65/41/85/369654185.db2.gz ITYSTXPLZWOSNL-SECBINFHSA-N -1 3 277.299 1.732 10 0 CDAEHM COCc1nc(C(=O)[N-]c2nnc3ccccn32)co1 ZINC000547836093 369662506 /nfs/dbraw/zinc/66/25/06/369662506.db2.gz XMVYJSGCSBSCHW-UHFFFAOYSA-N -1 3 273.252 1.116 10 0 CDAEHM COC(=O)CCCO[N-]C(=O)Nc1ccn2ccnc2c1 ZINC000290749953 370030372 /nfs/dbraw/zinc/03/03/72/370030372.db2.gz QRNDKAYXSXHKJD-UHFFFAOYSA-N -1 3 292.295 1.341 10 0 CDAEHM CSc1nnc(NC(=O)c2cn3c(n2)C[C@@H](C)CC3)[n-]1 ZINC000630859456 370094044 /nfs/dbraw/zinc/09/40/44/370094044.db2.gz DJQFWTRNDOHKRV-ZETCQYMHSA-N -1 3 292.368 1.558 10 0 CDAEHM CSc1n[n-]c(NC(=O)c2cn3c(n2)C[C@@H](C)CC3)n1 ZINC000630859456 370094047 /nfs/dbraw/zinc/09/40/47/370094047.db2.gz DJQFWTRNDOHKRV-ZETCQYMHSA-N -1 3 292.368 1.558 10 0 CDAEHM CSc1nc(NC(=O)c2cn3c(n2)C[C@@H](C)CC3)n[n-]1 ZINC000630859456 370094050 /nfs/dbraw/zinc/09/40/50/370094050.db2.gz DJQFWTRNDOHKRV-ZETCQYMHSA-N -1 3 292.368 1.558 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CC[C@H]3OCC[C@H]3C2)c1 ZINC000370621125 370106892 /nfs/dbraw/zinc/10/68/92/370106892.db2.gz BHWIBLRRWAYVGK-IINYFYTJSA-N -1 3 277.320 1.652 10 0 CDAEHM COC(=O)[C@@H](CF)NC(=O)c1cc([O-])ccc1Cl ZINC000291011705 370133734 /nfs/dbraw/zinc/13/37/34/370133734.db2.gz WWDPLNCDJJQIHP-SECBINFHSA-N -1 3 275.663 1.287 10 0 CDAEHM COCCC1(C)CN(C(=O)c2cccc(OC)c2[O-])C1 ZINC000291293990 370246000 /nfs/dbraw/zinc/24/60/00/370246000.db2.gz RUCHVZQPRSWEQD-UHFFFAOYSA-N -1 3 279.336 1.899 10 0 CDAEHM COCCC1(C)CN(C(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000292983677 370471627 /nfs/dbraw/zinc/47/16/27/370471627.db2.gz JSJKIEVSYLZONY-UHFFFAOYSA-N -1 3 292.314 1.596 10 0 CDAEHM COCCC1(C)CN(C(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000292983677 370471630 /nfs/dbraw/zinc/47/16/30/370471630.db2.gz JSJKIEVSYLZONY-UHFFFAOYSA-N -1 3 292.314 1.596 10 0 CDAEHM COCCC1(C)CN(C(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000292983677 370471636 /nfs/dbraw/zinc/47/16/36/370471636.db2.gz JSJKIEVSYLZONY-UHFFFAOYSA-N -1 3 292.314 1.596 10 0 CDAEHM Cc1ccccc1OCCCN(C)CCOCC(=O)[O-] ZINC000565599993 370485340 /nfs/dbraw/zinc/48/53/40/370485340.db2.gz HVSKITIATBHMTG-UHFFFAOYSA-N -1 3 281.352 1.797 10 0 CDAEHM Cn1ccc(S(=O)(=O)[N-]CCCC(C)(F)F)n1 ZINC000566164494 370631258 /nfs/dbraw/zinc/63/12/58/370631258.db2.gz FEXQRLAYIQNINN-UHFFFAOYSA-N -1 3 267.301 1.134 10 0 CDAEHM O=C(c1cncc([O-])c1)N1CCC(c2c[nH]cn2)CC1 ZINC000378084316 371819949 /nfs/dbraw/zinc/81/99/49/371819949.db2.gz LZCPLFOWJGWGCJ-UHFFFAOYSA-N -1 3 272.308 1.530 10 0 CDAEHM O=C(c1cncc([O-])c1)N1CCC(c2cnc[nH]2)CC1 ZINC000378084316 371819958 /nfs/dbraw/zinc/81/99/58/371819958.db2.gz LZCPLFOWJGWGCJ-UHFFFAOYSA-N -1 3 272.308 1.530 10 0 CDAEHM C[C@H]1CCCN(CCN=c2[n-]c(C3CCOCC3)no2)C1 ZINC000575348426 371822855 /nfs/dbraw/zinc/82/28/55/371822855.db2.gz RLPUSYGVXQDWAO-LBPRGKRZSA-N -1 3 294.399 1.529 10 0 CDAEHM C[C@@H](O)[C@@H]([N-]S(=O)(=O)CC1CC1)c1ccccc1F ZINC000578074823 372255992 /nfs/dbraw/zinc/25/59/92/372255992.db2.gz GIHDYLQXHXDYHB-NOZJJQNGSA-N -1 3 287.356 1.577 10 0 CDAEHM Cc1nc(C)c(CCC(=O)NC[C@H](C)C(C)C)c(=O)[n-]1 ZINC000172456205 372375037 /nfs/dbraw/zinc/37/50/37/372375037.db2.gz DNHBRKGKRCHISP-JTQLQIEISA-N -1 3 279.384 1.728 10 0 CDAEHM COc1cc(=NC(=O)Cc2cc(C)ccc2F)[n-]n1C ZINC000578594463 372510729 /nfs/dbraw/zinc/51/07/29/372510729.db2.gz ZLAYXSKWZXKUNO-UHFFFAOYSA-N -1 3 277.299 1.479 10 0 CDAEHM CC[C@@H](C)[C@@H](C)NC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000580817306 372702579 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Cc1ccc([O-])c(CN(C)CC(=O)NC(C)(C)C)n1 ZINC000120657849 372951463 /nfs/dbraw/zinc/95/14/63/372951463.db2.gz WCZSYXVCNKDXBT-UHFFFAOYSA-N -1 3 265.357 1.442 10 0 CDAEHM C[C@H](NC1CC1)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000382950004 373080404 /nfs/dbraw/zinc/08/04/04/373080404.db2.gz LKIWSKFQKRKMAJ-YGNMPJRFSA-N -1 3 280.368 1.371 10 0 CDAEHM COc1nnc(NC(=O)c2nn(-c3ccccc3)cc2C)[n-]1 ZINC000186301067 373148512 /nfs/dbraw/zinc/14/85/12/373148512.db2.gz KOENRMJLUNLEMM-UHFFFAOYSA-N -1 3 298.306 1.560 10 0 CDAEHM COc1nc(NC(=O)c2nn(-c3ccccc3)cc2C)n[n-]1 ZINC000186301067 373148524 /nfs/dbraw/zinc/14/85/24/373148524.db2.gz KOENRMJLUNLEMM-UHFFFAOYSA-N -1 3 298.306 1.560 10 0 CDAEHM COc1n[n-]c(NC(=O)c2nn(-c3ccccc3)cc2C)n1 ZINC000186301067 373148533 /nfs/dbraw/zinc/14/85/33/373148533.db2.gz KOENRMJLUNLEMM-UHFFFAOYSA-N -1 3 298.306 1.560 10 0 CDAEHM CN1CCCN(C(=O)Cc2ccc([O-])cc2Cl)CC1=O ZINC000190376776 373356620 /nfs/dbraw/zinc/35/66/20/373356620.db2.gz NZXGRTKFFJEPDN-UHFFFAOYSA-N -1 3 296.754 1.279 10 0 CDAEHM CC(=O)c1c([O-])cc(N)cc1I ZINC000575718947 374016216 /nfs/dbraw/zinc/01/62/16/374016216.db2.gz MLWPOOGTWMFVCF-UHFFFAOYSA-N -1 3 277.061 1.782 10 0 CDAEHM CCc1ccc(C(=O)N2CC[C@H](O)C(F)(F)C2)c([O-])c1 ZINC000617808252 374328443 /nfs/dbraw/zinc/32/84/43/374328443.db2.gz UFNSGTBNRRNVRF-LBPRGKRZSA-N -1 3 285.290 1.797 10 0 CDAEHM CCOCCN=c1cc(-c2ccccc2)n2[n-]cnc2n1 ZINC000631067369 374893348 /nfs/dbraw/zinc/89/33/48/374893348.db2.gz ZEIWIQLJMIIFDV-UHFFFAOYSA-N -1 3 283.335 1.662 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(Cl)cn2)[n-]1 ZINC000129389645 375193162 /nfs/dbraw/zinc/19/31/62/375193162.db2.gz KCDCLLSDATXDTJ-UHFFFAOYSA-N -1 3 253.649 1.114 10 0 CDAEHM COc1nc(NC(=O)c2ccc(Cl)cn2)n[n-]1 ZINC000129389645 375193168 /nfs/dbraw/zinc/19/31/68/375193168.db2.gz KCDCLLSDATXDTJ-UHFFFAOYSA-N -1 3 253.649 1.114 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(Cl)cn2)n1 ZINC000129389645 375193173 /nfs/dbraw/zinc/19/31/73/375193173.db2.gz KCDCLLSDATXDTJ-UHFFFAOYSA-N -1 3 253.649 1.114 10 0 CDAEHM 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289.339 1.136 10 0 CDAEHM C[C@H](O)CCN(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331231169 376679351 /nfs/dbraw/zinc/67/93/51/376679351.db2.gz HWDQDWHVHMMACS-JTQLQIEISA-N -1 3 293.363 1.949 10 0 CDAEHM Cc1nocc1S(=O)(=O)[N-][C@@H](c1cccnc1)C1CC1 ZINC000632151730 377064331 /nfs/dbraw/zinc/06/43/31/377064331.db2.gz PXWMAKPHDVRYIY-CYBMUJFWSA-N -1 3 293.348 1.808 10 0 CDAEHM CC(F)(F)CCS(=O)(=O)[N-]Cc1noc(C2CC2)n1 ZINC000632160163 377076040 /nfs/dbraw/zinc/07/60/40/377076040.db2.gz VXHNFDDPRLFWGW-UHFFFAOYSA-N -1 3 295.311 1.412 10 0 CDAEHM O=c1cc(-c2noc([C@]34CCC[C@H]3OCC4)n2)nc[n-]1 ZINC000632165938 377081590 /nfs/dbraw/zinc/08/15/90/377081590.db2.gz WWBXBRBFSGRCGA-RNCFNFMXSA-N -1 3 274.280 1.443 10 0 CDAEHM C[C@H](O)CCNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000127511965 377091558 /nfs/dbraw/zinc/09/15/58/377091558.db2.gz ISQBTLOUVIDECQ-VIFPVBQESA-N -1 3 279.336 1.606 10 0 CDAEHM CO[C@H](CCN=c1ncnc2[nH][n-]cc1-2)C(F)(F)F ZINC000345041717 377242453 /nfs/dbraw/zinc/24/24/53/377242453.db2.gz 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CDAEHM O=C(NCC[C@H]1CCc2ccccc2N1)c1c[n-]nn1 ZINC000653349473 413023916 /nfs/dbraw/zinc/02/39/16/413023916.db2.gz QIKHRFSDWWYDHH-LLVKDONJSA-N -1 3 271.324 1.352 10 0 CDAEHM O=C(NCC[C@H]1CCc2ccccc2N1)c1cnn[n-]1 ZINC000653349473 413023923 /nfs/dbraw/zinc/02/39/23/413023923.db2.gz QIKHRFSDWWYDHH-LLVKDONJSA-N -1 3 271.324 1.352 10 0 CDAEHM O=C(NCC[C@H]1CCc2ccccc2N1)c1cn[n-]n1 ZINC000653349473 413023926 /nfs/dbraw/zinc/02/39/26/413023926.db2.gz QIKHRFSDWWYDHH-LLVKDONJSA-N -1 3 271.324 1.352 10 0 CDAEHM COCC[C@H](CO)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000281536847 195280068 /nfs/dbraw/zinc/28/00/68/195280068.db2.gz JPQFVIJQZMFYAS-SECBINFHSA-N -1 3 291.269 1.431 10 0 CDAEHM CN1C[C@@H]2CCN(C(=O)c3s[n-]c(=O)c3Cl)[C@@H]2C1 ZINC000646940173 390303058 /nfs/dbraw/zinc/30/30/58/390303058.db2.gz AIDHRGRRWASYAX-NKWVEPMBSA-N -1 3 287.772 1.278 10 0 CDAEHM Cc1ccc(C(=O)N[C@H]2CCC(=O)N[C@@H]2C)c([O-])c1 ZINC000282217562 195540963 /nfs/dbraw/zinc/54/09/63/195540963.db2.gz UGDRWNPKBZGOAI-KOLCDFICSA-N -1 3 262.309 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423893690 /nfs/dbraw/zinc/89/36/90/423893690.db2.gz HSNFWQLIEWLFDB-UHFFFAOYSA-N -1 3 299.396 1.032 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1c[nH]cn1)[C@@H]1CCCCO1 ZINC000655667243 424331919 /nfs/dbraw/zinc/33/19/19/424331919.db2.gz UPEFMIQJPOSIHB-UWVGGRQHSA-N -1 3 273.358 1.036 10 0 CDAEHM O=C(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1c[n-]nn1 ZINC000655337488 424455880 /nfs/dbraw/zinc/45/58/80/424455880.db2.gz SSQMYGGQTRNIRF-XPUUQOCRSA-N -1 3 278.234 1.035 10 0 CDAEHM O=C(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1cnn[n-]1 ZINC000655337488 424455888 /nfs/dbraw/zinc/45/58/88/424455888.db2.gz SSQMYGGQTRNIRF-XPUUQOCRSA-N -1 3 278.234 1.035 10 0 CDAEHM O=C(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1cn[n-]n1 ZINC000655337488 424455895 /nfs/dbraw/zinc/45/58/95/424455895.db2.gz SSQMYGGQTRNIRF-XPUUQOCRSA-N -1 3 278.234 1.035 10 0 CDAEHM CCC(CC)(C(=O)[O-])C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000653297606 424497082 /nfs/dbraw/zinc/49/70/82/424497082.db2.gz XAXIKVKYXOFBFL-RYUDHWBXSA-N -1 3 284.400 1.819 10 0 CDAEHM O=C(Nc1cc2c([nH]c1=O)CCCC2)c1c[n-]nn1 ZINC000652613465 424558934 /nfs/dbraw/zinc/55/89/34/424558934.db2.gz UUADYRDFKYEABW-UHFFFAOYSA-N -1 3 259.269 1.036 10 0 CDAEHM O=C(Nc1cc2c([nH]c1=O)CCCC2)c1cnn[n-]1 ZINC000652613465 424558941 /nfs/dbraw/zinc/55/89/41/424558941.db2.gz UUADYRDFKYEABW-UHFFFAOYSA-N -1 3 259.269 1.036 10 0 CDAEHM O=C(Nc1cc2c([nH]c1=O)CCCC2)c1cn[n-]n1 ZINC000652613465 424558946 /nfs/dbraw/zinc/55/89/46/424558946.db2.gz UUADYRDFKYEABW-UHFFFAOYSA-N -1 3 259.269 1.036 10 0 CDAEHM C[C@@H](C(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-])N1CCCCCC1 ZINC000653318019 424566115 /nfs/dbraw/zinc/56/61/15/424566115.db2.gz RZZIRMRGQSCTPZ-AVGNSLFASA-N -1 3 282.384 1.715 10 0 CDAEHM CC(C)[C@](C)(CO)NC(=O)c1ccc(O)cc1[O-] ZINC000398605743 270356348 /nfs/dbraw/zinc/35/63/48/270356348.db2.gz MWZHAQSMEFAUCD-ZDUSSCGKSA-N -1 3 253.298 1.235 10 0 CDAEHM CCc1cccc(C(=O)NC[C@H](O)[C@H]2CCCO2)c1[O-] ZINC000529761001 271027314 /nfs/dbraw/zinc/02/73/14/271027314.db2.gz ADCMUMSJYGNRTL-QWHCGFSZSA-N -1 3 279.336 1.224 10 0 CDAEHM CCc1ccc([O-])c(C(=O)NC[C@@H](O)[C@@H]2CCCO2)c1 ZINC000529770579 271033993 /nfs/dbraw/zinc/03/39/93/271033993.db2.gz PUGJWHWUVPRZHF-KGLIPLIRSA-N -1 3 279.336 1.224 10 0 CDAEHM C[C@H]1CC[C@@H](C(=O)Nc2cc(-c3nccn3C)[n-]n2)O1 ZINC000119777912 279371228 /nfs/dbraw/zinc/37/12/28/279371228.db2.gz INUUQPDOWHHENI-WPRPVWTQSA-N -1 3 275.312 1.316 10 0 CDAEHM C[C@H]1CC[C@@H](C(=O)Nc2cc(-c3nccn3C)n[n-]2)O1 ZINC000119777912 279371230 /nfs/dbraw/zinc/37/12/30/279371230.db2.gz INUUQPDOWHHENI-WPRPVWTQSA-N -1 3 275.312 1.316 10 0 CDAEHM Cc1cnn(CCNC(=O)c2c([O-])cccc2O)c1 ZINC000220242840 280092549 /nfs/dbraw/zinc/09/25/49/280092549.db2.gz DHAHXPCBLZGHLB-UHFFFAOYSA-N -1 3 261.281 1.033 10 0 CDAEHM COC1(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)CCCCC1 ZINC000527499219 281145249 /nfs/dbraw/zinc/14/52/49/281145249.db2.gz PTUKCQHSQWIZJM-GFCCVEGCSA-N -1 3 293.367 1.971 10 0 CDAEHM CC1(C)CN(C(=O)c2cc([O-])ccc2F)CC[C@@H]1O ZINC000296110147 281219919 /nfs/dbraw/zinc/21/99/19/281219919.db2.gz 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ZINC000729264351 574742646 /nfs/dbraw/zinc/74/26/46/574742646.db2.gz KBXZZDWZCZSANF-UHFFFAOYSA-N -1 3 294.351 1.405 10 0 CDAEHM CC(C)OC(=O)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000729535812 574814879 /nfs/dbraw/zinc/81/48/79/574814879.db2.gz DOJUNMAKQWNXKM-UHFFFAOYSA-N -1 3 291.347 1.952 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)[C@H]2CCCC23OCCO3)n1 ZINC000774467813 575206749 /nfs/dbraw/zinc/20/67/49/575206749.db2.gz RTWRKLQOILIAEQ-SNVBAGLBSA-N -1 3 278.308 1.577 10 0 CDAEHM Cc1cc(=O)[n-]c(CN(C)[C@@H](C)C(=O)OC(C)C)n1 ZINC000761916021 576604836 /nfs/dbraw/zinc/60/48/36/576604836.db2.gz RZPCUPAKBLNQOI-JTQLQIEISA-N -1 3 267.329 1.263 10 0 CDAEHM C[C@H]1CCN(S(=O)(=O)[N-]c2cnn(C)c2C2CC2)C1 ZINC000769868659 575393440 /nfs/dbraw/zinc/39/34/40/575393440.db2.gz NCGDYIIFZTXMQJ-VIFPVBQESA-N -1 3 284.385 1.296 10 0 CDAEHM COC(=O)[C@H](NC(=O)/C=C\c1cncc([O-])c1)C(C)(C)C ZINC000770493267 575456181 /nfs/dbraw/zinc/45/61/81/575456181.db2.gz CYADRUVDZLYDJV-SZZPACECSA-N -1 3 292.335 1.504 10 0 CDAEHM Cc1cccc([C@@H](C)OC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000735916459 575534570 /nfs/dbraw/zinc/53/45/70/575534570.db2.gz RKYOCXATNKWOSY-SNVBAGLBSA-N -1 3 276.292 1.151 10 0 CDAEHM COCc1ccc(C(=O)OCc2cc(=O)c([O-])co2)o1 ZINC000735967098 575541656 /nfs/dbraw/zinc/54/16/56/575541656.db2.gz YTNFHGPGAOQAIS-UHFFFAOYSA-N -1 3 280.232 1.442 10 0 CDAEHM CCCN1CCC[C@H]1C(=O)[N-]OC1CCOCC1 ZINC000772708679 575740182 /nfs/dbraw/zinc/74/01/82/575740182.db2.gz WGVOHJHRCJWBLG-LBPRGKRZSA-N -1 3 256.346 1.088 10 0 CDAEHM Cc1cccc(C(=O)Nc2ccnc(CO)c2)c1[O-] ZINC000765294940 576005546 /nfs/dbraw/zinc/00/55/46/576005546.db2.gz HKHRKTQQWPJBPR-UHFFFAOYSA-N -1 3 258.277 1.840 10 0 CDAEHM CCN1C[C@@H](C)N(Cc2nc(C)cc(=O)[n-]2)C[C@H]1C ZINC000766251809 576089335 /nfs/dbraw/zinc/08/93/35/576089335.db2.gz FTTFBCBNVCGGGY-VXGBXAGGSA-N -1 3 264.373 1.405 10 0 CDAEHM Cc1ccnc(N2CCN(Cc3nc(C)cc(=O)[n-]3)CC2)c1 ZINC000767069136 576157417 /nfs/dbraw/zinc/15/74/17/576157417.db2.gz RBTHGMMPWZDNPA-UHFFFAOYSA-N -1 3 299.378 1.516 10 0 CDAEHM Cn1cc(-c2cc(CO[N-]C(=O)C(C)(C)C)on2)cn1 ZINC000768921645 576317294 /nfs/dbraw/zinc/31/72/94/576317294.db2.gz CYYGDANLUKFCSH-UHFFFAOYSA-N -1 3 278.312 1.669 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCC(OC(C)C)CC2)n1 ZINC000761875795 576601558 /nfs/dbraw/zinc/60/15/58/576601558.db2.gz XOWMREZNWNLQKI-UHFFFAOYSA-N -1 3 265.357 1.880 10 0 CDAEHM CCN(Cc1nc(C)cc(=O)[n-]1)C[C@H]1CCCO1 ZINC000761876410 576601892 /nfs/dbraw/zinc/60/18/92/576601892.db2.gz PVBAYCYKIQFNFU-LLVKDONJSA-N -1 3 251.330 1.492 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCNC(=O)[C@@H]2c2ccccc2)n1 ZINC000761882976 576603054 /nfs/dbraw/zinc/60/30/54/576603054.db2.gz ROTICTDOWCYFIR-HNNXBMFYSA-N -1 3 298.346 1.164 10 0 CDAEHM Cn1ncc2c1nc(COC(=O)/C=C/C1CC1)[n-]c2=O ZINC000745557192 576734462 /nfs/dbraw/zinc/73/44/62/576734462.db2.gz QIKMZNUYBXKYDV-SNAWJCMRSA-N -1 3 274.280 1.078 10 0 CDAEHM O=C(NC[C@@H](O)c1ccccn1)c1ccccc1[O-] ZINC000747639196 576878205 /nfs/dbraw/zinc/87/82/05/576878205.db2.gz SLOGOKVYEJMUBH-CYBMUJFWSA-N -1 3 258.277 1.251 10 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KHDHPYCWIMRROV-JTQLQIEISA-N -1 3 287.385 1.267 10 0 CDAEHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(Cl)nn1 ZINC000902010533 618486945 /nfs/dbraw/zinc/48/69/45/618486945.db2.gz GOJDBWKKCZLCAU-UISBYWKRSA-N -1 3 281.743 1.815 10 0 CDAEHM O=C([O-])[C@@H]1CCCCCN1Cc1cc2n(n1)CCC2 ZINC000902035914 618503165 /nfs/dbraw/zinc/50/31/65/618503165.db2.gz TZETUHFKPMZTGV-ZDUSSCGKSA-N -1 3 263.341 1.659 10 0 CDAEHM COC[C@@H](NC(=O)c1ccc(O)cc1[O-])[C@H]1CCCOC1 ZINC000894851334 619097296 /nfs/dbraw/zinc/09/72/96/619097296.db2.gz QAQXQODMEMIPKP-GXFFZTMASA-N -1 3 295.335 1.269 10 0 CDAEHM O=C(c1cccnc1Cl)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898205267 621361440 /nfs/dbraw/zinc/36/14/40/621361440.db2.gz LFWYHVOBHAFVRH-MRVPVSSYSA-N -1 3 292.726 1.793 10 0 CDAEHM O=C(c1ccccc1F)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898207581 621363855 /nfs/dbraw/zinc/36/38/55/621363855.db2.gz NIGRYIMCJWWHBC-VIFPVBQESA-N -1 3 275.283 1.884 10 0 CDAEHM O=C(C[C@@H]1CCCO1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898210737 621365695 /nfs/dbraw/zinc/36/56/95/621365695.db2.gz IQSGLMLKDUIANH-ZJUUUORDSA-N -1 3 265.313 1.000 10 0 CDAEHM O=C(CC(F)(F)F)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898211815 621366374 /nfs/dbraw/zinc/36/63/74/621366374.db2.gz WERSKZUQVWUZDR-LURJTMIESA-N -1 3 263.219 1.384 10 0 CDAEHM CSCCCCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898215697 621367547 /nfs/dbraw/zinc/36/75/47/621367547.db2.gz IVNXZDYRKYKNSH-JTQLQIEISA-N -1 3 283.397 1.965 10 0 CDAEHM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216962 621369687 /nfs/dbraw/zinc/36/96/87/621369687.db2.gz ZDIFBVHBSSWYSQ-KZWBYHQPSA-N -1 3 275.352 1.867 10 0 CDAEHM CS[C@@H](C)CCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217167 621370051 /nfs/dbraw/zinc/37/00/51/621370051.db2.gz FIDYHZHZOHLHKC-UWVGGRQHSA-N -1 3 283.397 1.963 10 0 CDAEHM C[C@H](CC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)n1ccnc1 ZINC000898224928 621412876 /nfs/dbraw/zinc/41/28/76/621412876.db2.gz CPWGLAYCXDPTMZ-MNOVXSKESA-N -1 3 289.339 1.279 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)c2ccc(C(F)F)o2)n1 ZINC000898257794 621421542 /nfs/dbraw/zinc/42/15/42/621421542.db2.gz DKYXAWUJNVCLJL-UHFFFAOYSA-N -1 3 283.234 1.951 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@@H](C)CC(C)C)n1 ZINC000898261308 621427824 /nfs/dbraw/zinc/42/78/24/621427824.db2.gz IQOGDSAPPGNIAQ-VIFPVBQESA-N -1 3 251.330 1.789 10 0 CDAEHM O=C(N[C@@H]1CCCC12CC2)c1ccc(-c2nnn[n-]2)cn1 ZINC000899154870 622076472 /nfs/dbraw/zinc/07/64/72/622076472.db2.gz YQHLDKKKRMUYRE-LLVKDONJSA-N -1 3 284.323 1.324 10 0 CDAEHM O=C(N[C@@H]1CCCC12CC2)c1ccc(-c2nn[n-]n2)cn1 ZINC000899154870 622076475 /nfs/dbraw/zinc/07/64/75/622076475.db2.gz YQHLDKKKRMUYRE-LLVKDONJSA-N -1 3 284.323 1.324 10 0 CDAEHM CCC(C)(C)C(=O)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000901178371 623965484 /nfs/dbraw/zinc/96/54/84/623965484.db2.gz WEQFDLTXTKHCIA-UHFFFAOYSA-N -1 3 277.324 1.072 10 0 CDAEHM Cc1c[nH]nc1CSCc1nc(C)cc(=O)[n-]1 ZINC000902343222 624674846 /nfs/dbraw/zinc/67/48/46/624674846.db2.gz OLWLHTSASDGLRO-UHFFFAOYSA-N -1 3 250.327 1.956 10 0 CDAEHM O=C([O-])c1cccc(CNC[C@@H]2C[C@H]3CCC[C@H]3O2)n1 ZINC000902499631 624872344 /nfs/dbraw/zinc/87/23/44/624872344.db2.gz AXPMLHMDTGAKKM-SCDSUCTJSA-N -1 3 276.336 1.827 10 0 CDAEHM O=C([O-])[C@H](NCCO[C@H]1CC1(F)F)c1ccccc1F ZINC000905378315 626792869 /nfs/dbraw/zinc/79/28/69/626792869.db2.gz JLQDSRYEFIQSCZ-WDEREUQCSA-N -1 3 289.253 1.965 10 0 CDAEHM Cc1cc(C)cc([C@@H](NC[C@@H](O)C(F)(F)F)C(=O)[O-])c1 ZINC000905392131 626807806 /nfs/dbraw/zinc/80/78/06/626807806.db2.gz RTETZSLWYWUNNB-GHMZBOCLSA-N -1 3 291.269 1.942 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)[C@@H](C)[C@@H]2CCCO2)[n-]1 ZINC000907717102 627805729 /nfs/dbraw/zinc/80/57/29/627805729.db2.gz XIIKRJFXNUESTR-IUCAKERBSA-N -1 3 281.312 1.340 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)[C@@H](C)[C@@H]2CCCO2)c[n-]1 ZINC000907717102 627805731 /nfs/dbraw/zinc/80/57/31/627805731.db2.gz XIIKRJFXNUESTR-IUCAKERBSA-N -1 3 281.312 1.340 10 0 CDAEHM C[C@@H]1CO[C@H](C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C1 ZINC000908334747 628141065 /nfs/dbraw/zinc/14/10/65/628141065.db2.gz DJFUUPQZUJOTMB-CPCISQLKSA-N -1 3 261.281 1.632 10 0 CDAEHM O=C(C[C@H](O)C(Cl)(Cl)Cl)[N-]OC1CCC1 ZINC000908569960 628276810 /nfs/dbraw/zinc/27/68/10/628276810.db2.gz YLYJLQAJZXPYMK-LURJTMIESA-N -1 3 276.547 1.708 10 0 CDAEHM O=C([O-])C12CCC(CC1)N2C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000908890322 628402566 /nfs/dbraw/zinc/40/25/66/628402566.db2.gz IHPDHNNBHDORMC-VLRKGOCCSA-N -1 3 293.367 1.014 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@]2(O)CCCC(C)(C)C2)n1 ZINC000911864365 629576196 /nfs/dbraw/zinc/57/61/96/629576196.db2.gz PDODDUKBOKAHIP-HNNXBMFYSA-N -1 3 293.367 1.438 10 0 CDAEHM O=C(NCCN=S1(=O)CCCC1)c1ccc(O)cc1[O-] ZINC000912039379 629731898 /nfs/dbraw/zinc/73/18/98/629731898.db2.gz MQKPIXPXMJSZQO-UHFFFAOYSA-N -1 3 298.364 1.089 10 0 CDAEHM CCO[C@@]1(C)C[C@H]1NC(=O)c1c([O-])cccc1OC ZINC000913013205 630340769 /nfs/dbraw/zinc/34/07/69/630340769.db2.gz AIWGCBGQIAEZRG-RISCZKNCSA-N -1 3 265.309 1.698 10 0 CDAEHM CCOc1nnc(NC(=O)C(F)=C(C)C2CC2)[n-]1 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10 0 CDAEHM CCc1cccc(C(=O)NCCc2nc(C)no2)c1[O-] ZINC000081777098 342373560 /nfs/dbraw/zinc/37/35/60/342373560.db2.gz UURBJPLRTQDLOV-UHFFFAOYSA-N -1 3 275.308 1.619 10 0 CDAEHM CCOC(=O)c1c[n-]c(=NCCO[C@@H]2CC2(F)F)s1 ZINC000596446344 343323589 /nfs/dbraw/zinc/32/35/89/343323589.db2.gz FCIDWZKTYSZSLL-MRVPVSSYSA-N -1 3 292.307 1.578 10 0 CDAEHM Cc1sc(N2CC[C@@H](N(C)C)C2)nc1C(=O)[O-] ZINC000137288733 342406286 /nfs/dbraw/zinc/40/62/86/342406286.db2.gz GBLVHZKXTYQNHF-MRVPVSSYSA-N -1 3 255.343 1.290 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)[C@@H](OC)C2CCC2)[n-]1 ZINC000597560795 343572882 /nfs/dbraw/zinc/57/28/82/343572882.db2.gz CDMZEZAVENLUHT-JTQLQIEISA-N -1 3 281.312 1.340 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)[C@@H](OC)C2CCC2)c[n-]1 ZINC000597560795 343572884 /nfs/dbraw/zinc/57/28/84/343572884.db2.gz CDMZEZAVENLUHT-JTQLQIEISA-N -1 3 281.312 1.340 10 0 CDAEHM COC(=O)c1cc(C(=O)[N-]c2nc(C)n(C)n2)c(C)o1 ZINC000597689358 343597909 /nfs/dbraw/zinc/59/79/09/343597909.db2.gz SFUSMCPTTSAVPU-UHFFFAOYSA-N -1 3 278.268 1.064 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@H](C)[C@H](C)CO)c1 ZINC000126854978 187267070 /nfs/dbraw/zinc/26/70/70/187267070.db2.gz QPBKKOGKHUYCDP-RKDXNWHRSA-N -1 3 253.298 1.148 10 0 CDAEHM C[C@H]1COC2(CCC2)CN1C(=O)c1cccc2[n-]nnc21 ZINC000617944597 343700877 /nfs/dbraw/zinc/70/08/77/343700877.db2.gz ANMFCQHUFMNITD-JTQLQIEISA-N -1 3 286.335 1.742 10 0 CDAEHM C[C@H]1COC2(CCC2)CN1C(=O)c1cccc2nn[n-]c21 ZINC000617944597 343700881 /nfs/dbraw/zinc/70/08/81/343700881.db2.gz ANMFCQHUFMNITD-JTQLQIEISA-N -1 3 286.335 1.742 10 0 CDAEHM C[C@H]1COC2(CCC2)CN1C(=O)c1cccc2n[n-]nc21 ZINC000617944597 343700884 /nfs/dbraw/zinc/70/08/84/343700884.db2.gz ANMFCQHUFMNITD-JTQLQIEISA-N -1 3 286.335 1.742 10 0 CDAEHM CCc1ccc(C(=O)N[C@@](C)(CCF)C(=O)OC)c([O-])c1 ZINC000598289173 343755082 /nfs/dbraw/zinc/75/50/82/343755082.db2.gz GOMMWVRNTFROEL-HNNXBMFYSA-N -1 3 297.326 1.976 10 0 CDAEHM CCOC(=O)c1csc(=NCC[C@H]2CCCOC2)[n-]1 ZINC000599117460 343962219 /nfs/dbraw/zinc/96/22/19/343962219.db2.gz UMRMGDZBBYKSHN-SNVBAGLBSA-N -1 3 284.381 1.970 10 0 CDAEHM COCC[C@H](COC)[N-]S(=O)(=O)c1ccccc1F ZINC000336814016 362347354 /nfs/dbraw/zinc/34/73/54/362347354.db2.gz DPDMAJARQMYPND-SNVBAGLBSA-N -1 3 291.344 1.156 10 0 CDAEHM CC[C@@H](CNC(=O)c1c(C)cccc1[O-])C(=O)OC ZINC000600061384 344168230 /nfs/dbraw/zinc/16/82/30/344168230.db2.gz CWKVKWMYWWTTHK-JTQLQIEISA-N -1 3 265.309 1.630 10 0 CDAEHM COC(=O)C12CCC(CC1)N2C(=O)c1ccccc1[O-] ZINC000601825872 344262121 /nfs/dbraw/zinc/26/21/21/344262121.db2.gz BCZOXXYESDOAFF-UHFFFAOYSA-N -1 3 275.304 1.702 10 0 CDAEHM O=S(=O)(CC1CCC1)[N-]Cc1noc(C2CC2)n1 ZINC000536687815 282339625 /nfs/dbraw/zinc/33/96/25/282339625.db2.gz OTXHMXQFBLNNOM-UHFFFAOYSA-N -1 3 271.342 1.167 10 0 CDAEHM O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1c[n-]nn1 ZINC000447714022 362491009 /nfs/dbraw/zinc/49/10/09/362491009.db2.gz KHUGPNYSSOHDBZ-VIFPVBQESA-N -1 3 288.204 1.819 10 0 CDAEHM O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1cnn[n-]1 ZINC000447714022 362491013 /nfs/dbraw/zinc/49/10/13/362491013.db2.gz KHUGPNYSSOHDBZ-VIFPVBQESA-N -1 3 288.204 1.819 10 0 CDAEHM O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1cn[n-]n1 ZINC000447714022 362491018 /nfs/dbraw/zinc/49/10/18/362491018.db2.gz KHUGPNYSSOHDBZ-VIFPVBQESA-N -1 3 288.204 1.819 10 0 CDAEHM COc1ccc(F)c([N-]C(=O)c2nnn(C(C)(C)C)n2)c1 ZINC000612215200 347078914 /nfs/dbraw/zinc/07/89/14/347078914.db2.gz KVSZZSINCZPORY-UHFFFAOYSA-N -1 3 293.302 1.828 10 0 CDAEHM CCCn1c(=O)[n-]nc1S[C@@H]1CCCN(C)C1=O ZINC000537603593 282372087 /nfs/dbraw/zinc/37/20/87/282372087.db2.gz LSNBBGSLLLLBMA-MRVPVSSYSA-N -1 3 270.358 1.107 10 0 CDAEHM CS(=O)(=O)CC1(CCNC(=O)c2cccc([O-])c2)CC1 ZINC000617186660 344991010 /nfs/dbraw/zinc/99/10/10/344991010.db2.gz DRXZEIPGRPJWOM-UHFFFAOYSA-N -1 3 297.376 1.337 10 0 CDAEHM C[C@H]1CCC[C@@H](CNC(=O)c2ccc(O)cc2[O-])O1 ZINC000618583684 345168218 /nfs/dbraw/zinc/16/82/18/345168218.db2.gz XJUZKSYEZSZOQZ-ONGXEEELSA-N -1 3 265.309 1.785 10 0 CDAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc2c(c1)C=CCCC2 ZINC000618848365 345371134 /nfs/dbraw/zinc/37/11/34/345371134.db2.gz UYCCQCRCXRBDFL-UHFFFAOYSA-N -1 3 299.330 1.526 10 0 CDAEHM CCc1ccc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)c([O-])c1 ZINC000617444448 345540022 /nfs/dbraw/zinc/54/00/22/345540022.db2.gz GGMRAIGQFDKIRI-JOYOIKCWSA-N -1 3 286.335 1.982 10 0 CDAEHM COc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)c([O-])c1 ZINC000635837283 362617096 /nfs/dbraw/zinc/61/70/96/362617096.db2.gz CHTPQYGDVOSWQA-NXEZZACHSA-N -1 3 273.292 1.866 10 0 CDAEHM O=C(NC[C@@H]1CCc2cccnc21)c1c([O-])cccc1O ZINC000623315751 346033405 /nfs/dbraw/zinc/03/34/05/346033405.db2.gz ANYBRNRRULDIPP-NSHDSACASA-N -1 3 284.315 1.953 10 0 CDAEHM COc1cc(=NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)[n-]n1C ZINC000626500432 346179455 /nfs/dbraw/zinc/17/94/55/346179455.db2.gz CAKUSHDCGYQHPE-QWHCGFSZSA-N -1 3 285.347 1.901 10 0 CDAEHM CCN1CCN(c2ccc(C(=O)[O-])cc2N)C[C@@H]1C ZINC000104136895 136525518 /nfs/dbraw/zinc/52/55/18/136525518.db2.gz AWJDYPPCJVQVGJ-JTQLQIEISA-N -1 3 263.341 1.497 10 0 CDAEHM N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000085324628 179018038 /nfs/dbraw/zinc/01/80/38/179018038.db2.gz XDRDTZWUTVXOBX-MGPQQGTHSA-N -1 3 290.363 1.316 10 0 CDAEHM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000085340618 179026190 /nfs/dbraw/zinc/02/61/90/179026190.db2.gz UEXHMNLJLRXGPS-RTXFEEFZSA-N -1 3 295.383 1.166 10 0 CDAEHM CC(C)N(C(=O)CN1CC[C@@H](C)[C@@H](C(=O)[O-])C1)C(C)C ZINC000571561954 362681855 /nfs/dbraw/zinc/68/18/55/362681855.db2.gz YBPAZWCXBBLNMX-OLZOCXBDSA-N -1 3 284.400 1.674 10 0 CDAEHM CCO[C@H]1C[C@H](N[C@@H](C)c2nn[n-]n2)C12CCCC2 ZINC000085680851 179113665 /nfs/dbraw/zinc/11/36/65/179113665.db2.gz QOYVHMCJHPMCPQ-DCAQKATOSA-N -1 3 265.361 1.588 10 0 CDAEHM CCO[C@H]1C[C@H](N[C@@H](C)c2nnn[n-]2)C12CCCC2 ZINC000085680851 179113667 /nfs/dbraw/zinc/11/36/67/179113667.db2.gz QOYVHMCJHPMCPQ-DCAQKATOSA-N -1 3 265.361 1.588 10 0 CDAEHM Cc1cccc(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)n1 ZINC000104856232 346579819 /nfs/dbraw/zinc/57/98/19/346579819.db2.gz QYGPHBDDRFJJNB-UHFFFAOYSA-N -1 3 295.298 1.204 10 0 CDAEHM Cc1cc([C@H](C)NC(=O)[C@H](N)CC(=O)[O-])c(C)s1 ZINC000085812217 179178709 /nfs/dbraw/zinc/17/87/09/179178709.db2.gz FTCVONDNVOWOER-OIBJUYFYSA-N -1 3 270.354 1.344 10 0 CDAEHM CC(C)c1ccc([C@@H](C)NC(=O)[C@@H](N)CC(=O)[O-])cc1 ZINC000085813755 179178803 /nfs/dbraw/zinc/17/88/03/179178803.db2.gz XCNNGZLXCPNDDB-MFKMUULPSA-N -1 3 278.352 1.789 10 0 CDAEHM N[C@H](CCC(=O)[O-])C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000085819050 179181929 /nfs/dbraw/zinc/18/19/29/179181929.db2.gz XMPKFMPIWSAXLB-QJPTWQEYSA-N -1 3 268.357 1.217 10 0 CDAEHM O=C(N=c1[nH][n-]cc1Br)[C@H]1CC12CC2 ZINC000643370265 362780782 /nfs/dbraw/zinc/78/07/82/362780782.db2.gz MCMNCZJZZPOIKF-RXMQYKEDSA-N -1 3 256.103 1.333 10 0 CDAEHM Cc1ccc([C@H](C)N(C)C(=O)[C@@H](N)CCC(=O)[O-])s1 ZINC000085840157 179185398 /nfs/dbraw/zinc/18/53/98/179185398.db2.gz LGXZJZROGMDKJH-UWVGGRQHSA-N -1 3 284.381 1.768 10 0 CDAEHM CSc1ccc(CN(C)C(=O)[C@H](N)CC(=O)[O-])cc1 ZINC000085815358 179179196 /nfs/dbraw/zinc/17/91/96/179179196.db2.gz AFZSUMRGDYWPIZ-LLVKDONJSA-N -1 3 282.365 1.169 10 0 CDAEHM CC(C)N(Cc1cccs1)C(=O)[C@H](N)CC(=O)[O-] ZINC000085817630 179179824 /nfs/dbraw/zinc/17/98/24/179179824.db2.gz ZQFIRLIQAIRFBP-SNVBAGLBSA-N -1 3 270.354 1.287 10 0 CDAEHM C[C@H](c1ccccc1F)N(C)C(=O)[C@@H](N)CC(=O)[O-] ZINC000085815884 179180178 /nfs/dbraw/zinc/18/01/78/179180178.db2.gz QCBHOPGRYOEOHW-KCJUWKMLSA-N -1 3 268.288 1.147 10 0 CDAEHM Cc1ccc(NC(=O)[C@H](N)CCC(=O)[O-])cc1C ZINC000085818659 179181173 /nfs/dbraw/zinc/18/11/73/179181173.db2.gz QFRNNKUWTOXPOY-LLVKDONJSA-N -1 3 250.298 1.434 10 0 CDAEHM N[C@@H](CCC(=O)[O-])C(=O)Nc1cc(F)ccc1F ZINC000085818464 179181433 /nfs/dbraw/zinc/18/14/33/179181433.db2.gz KHBNJNKVJQELRQ-QMMMGPOBSA-N -1 3 258.224 1.095 10 0 CDAEHM O=C([O-])[C@@]1(Nc2ccnc3ccccc32)CCOC1 ZINC000085857895 179189775 /nfs/dbraw/zinc/18/97/75/179189775.db2.gz HGEPCHSMHSOIGQ-CQSZACIVSA-N -1 3 258.277 1.890 10 0 CDAEHM O=S(=O)([N-]C[C@H]1CCCC[C@H]1O)c1cncc(F)c1 ZINC000085988354 179213057 /nfs/dbraw/zinc/21/30/57/179213057.db2.gz MJUYDZQIFWFKNH-BXKDBHETSA-N -1 3 288.344 1.050 10 0 CDAEHM C[C@H]1[C@H]([N-]S(=O)(=O)c2ccc(CN)s2)CC[C@@H]1C ZINC000086079613 179226586 /nfs/dbraw/zinc/22/65/86/179226586.db2.gz GMSDNKTYYXLIEN-IQJOONFLSA-N -1 3 288.438 1.920 10 0 CDAEHM Cc1[n-]n(-c2cccc(Br)c2)c(=O)c1CN ZINC000086109053 179231980 /nfs/dbraw/zinc/23/19/80/179231980.db2.gz LGJKIWYAFPKHFV-JTQLQIEISA-N -1 3 282.141 1.747 10 0 CDAEHM Cc1co[n-]c1=NC(=O)c1cc(-n2cccc2)ccn1 ZINC000355065905 365879734 /nfs/dbraw/zinc/87/97/34/365879734.db2.gz UKOOLYMCQNBOTG-UHFFFAOYSA-N -1 3 268.276 1.843 10 0 CDAEHM Cc1cnc(C(=O)N2CC[C@@H](N3CCC3)[C@H](F)C2)c([O-])c1 ZINC000614093048 347989593 /nfs/dbraw/zinc/98/95/93/347989593.db2.gz MXFKXWGGURBGNC-VXGBXAGGSA-N -1 3 293.342 1.354 10 0 CDAEHM COc1cccc(C(=O)N[C@@H]2CCC[C@H](O)C2)c1[O-] ZINC000614144346 348013878 /nfs/dbraw/zinc/01/38/78/348013878.db2.gz SWGSZVRNPSDPEH-ZJUUUORDSA-N -1 3 265.309 1.434 10 0 CDAEHM CC1(C)CCC[C@](O)(C(=O)[N-]c2nncn2C2CC2)C1 ZINC000614580675 348162470 /nfs/dbraw/zinc/16/24/70/348162470.db2.gz AYKBKCZKKHKHNJ-CQSZACIVSA-N -1 3 278.356 1.883 10 0 CDAEHM O=C(NCCCc1cc(=O)[nH][n-]1)c1cc2[nH]ccc2s1 ZINC000614914555 348270294 /nfs/dbraw/zinc/27/02/94/348270294.db2.gz FSXCCIFXYGFVMO-UHFFFAOYSA-N -1 3 290.348 1.615 10 0 CDAEHM CC1(C)CC[C@@H]1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614922089 348273340 /nfs/dbraw/zinc/27/33/40/348273340.db2.gz JNOCAHUVFNSWRK-SNVBAGLBSA-N -1 3 251.330 1.195 10 0 CDAEHM Cc1nnc(NC(=O)c2ccc3c(c2[O-])CCCC3)n1C ZINC000273456731 192159020 /nfs/dbraw/zinc/15/90/20/192159020.db2.gz DNHONSAZHKBSOV-UHFFFAOYSA-N -1 3 286.335 1.960 10 0 CDAEHM Cn1c(C[N-]S(=O)(=O)c2ccoc2)nnc1C1CCC1 ZINC000352157988 362932493 /nfs/dbraw/zinc/93/24/93/362932493.db2.gz CGVKICWOEBZRHV-UHFFFAOYSA-N -1 3 296.352 1.154 10 0 CDAEHM COc1cccc(C(=O)NCC2CSC2)c1[O-] ZINC000616064037 349276819 /nfs/dbraw/zinc/27/68/19/349276819.db2.gz UFYVAKZLMZNQTC-UHFFFAOYSA-N -1 3 253.323 1.494 10 0 CDAEHM O=C(c1c[n-]c2ccccc2c1=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000620150689 350069722 /nfs/dbraw/zinc/06/97/22/350069722.db2.gz OBGPXLMBZJFOAG-NEPJUHHUSA-N -1 3 298.342 1.637 10 0 CDAEHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC[C@H]2COC[C@@H]2C1 ZINC000620155281 350071063 /nfs/dbraw/zinc/07/10/63/350071063.db2.gz LSFHQHJXDFMAAU-RYUDHWBXSA-N -1 3 298.342 1.637 10 0 CDAEHM Cc1cccc(C(=O)N2CC[C@H]3COC[C@H]3C2)c1[O-] ZINC000620155848 350071692 /nfs/dbraw/zinc/07/16/92/350071692.db2.gz XELMARAYEGCNIT-NWDGAFQWSA-N -1 3 261.321 1.809 10 0 CDAEHM Cc1oc(CN(C)C[C@@H]2CCCN2C)cc1C(=O)[O-] ZINC000092631874 482630216 /nfs/dbraw/zinc/63/02/16/482630216.db2.gz STOQKJWXEKTGFB-NSHDSACASA-N -1 3 266.341 1.812 10 0 CDAEHM COc1nc(NC(=O)COc2cc(F)cc(F)c2)n[n-]1 ZINC000486953174 365984930 /nfs/dbraw/zinc/98/49/30/365984930.db2.gz DGKCZWVKERARNB-UHFFFAOYSA-N -1 3 284.222 1.109 10 0 CDAEHM COc1nnc(NC(=O)COc2cc(F)cc(F)c2)[n-]1 ZINC000486953174 365984933 /nfs/dbraw/zinc/98/49/33/365984933.db2.gz DGKCZWVKERARNB-UHFFFAOYSA-N -1 3 284.222 1.109 10 0 CDAEHM COc1n[n-]c(NC(=O)COc2cc(F)cc(F)c2)n1 ZINC000486953174 365984936 /nfs/dbraw/zinc/98/49/36/365984936.db2.gz DGKCZWVKERARNB-UHFFFAOYSA-N -1 3 284.222 1.109 10 0 CDAEHM CCOC1(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)CCC1 ZINC000621812072 350789062 /nfs/dbraw/zinc/78/90/62/350789062.db2.gz IOCAECLKRZZTEN-UHFFFAOYSA-N -1 3 286.335 1.791 10 0 CDAEHM CC(C)(O)CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621884973 350832998 /nfs/dbraw/zinc/83/29/98/350832998.db2.gz BIAWZUKYMSWTNF-UHFFFAOYSA-N -1 3 277.242 1.912 10 0 CDAEHM CC[C@@H]1C[C@H](NC(=O)c2cc(F)c[n-]c2=O)CCO1 ZINC000622111482 351007878 /nfs/dbraw/zinc/00/78/78/351007878.db2.gz ZCRGKRPRJZGGML-NXEZZACHSA-N -1 3 268.288 1.614 10 0 CDAEHM O=C(c1ccccc1[O-])N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000622083014 350979578 /nfs/dbraw/zinc/97/95/78/350979578.db2.gz WIGSWXKHQPLOKH-OUCADQQQSA-N -1 3 291.347 1.394 10 0 CDAEHM COCCC1CN(C(=O)c2cc(F)c[n-]c2=O)C1 ZINC000622137624 351030857 /nfs/dbraw/zinc/03/08/57/351030857.db2.gz 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1.898 10 0 CDAEHM COCCN(CCC(N)=S)C(=O)c1cccc(C)c1[O-] ZINC000071224232 176088555 /nfs/dbraw/zinc/08/85/55/176088555.db2.gz AUXXBPLRCRZOCG-UHFFFAOYSA-N -1 3 296.392 1.465 10 0 CDAEHM CCCNCC(=O)Nc1ccc(C(=O)[O-])cc1Cl ZINC000071392155 176148883 /nfs/dbraw/zinc/14/88/83/176148883.db2.gz GYJSNLVFTJROGB-UHFFFAOYSA-N -1 3 270.716 1.976 10 0 CDAEHM CCN1CCN(C[C@H](CC(=O)[O-])c2cc[nH]c2)CC1 ZINC000076681420 177058961 /nfs/dbraw/zinc/05/89/61/177058961.db2.gz ZIDMJQYPVRNKDX-ZDUSSCGKSA-N -1 3 265.357 1.211 10 0 CDAEHM CN1CCO[C@H](CNCc2ccc([O-])c(Cl)c2)C1 ZINC000078638599 177363778 /nfs/dbraw/zinc/36/37/78/177363778.db2.gz SPTDFPWXZAMQLR-LLVKDONJSA-N -1 3 270.760 1.466 10 0 CDAEHM CCC[C@@H](C)[C@@H](CO)NC(=O)c1cc(OC)ccc1[O-] ZINC000517577831 260195110 /nfs/dbraw/zinc/19/51/10/260195110.db2.gz ANDBVHVUJMXWMV-ZWNOBZJWSA-N -1 3 281.352 1.928 10 0 CDAEHM O=C(N[C@H](C1CC1)C1CCOCC1)c1csc(=O)[n-]1 ZINC000652769624 424113447 /nfs/dbraw/zinc/11/34/47/424113447.db2.gz KXCFOXFNAWGLCW-LLVKDONJSA-N -1 3 282.365 1.784 10 0 CDAEHM O=S(=O)([N-]CC1(CF)CCOCC1)c1cscn1 ZINC000519148708 265337943 /nfs/dbraw/zinc/33/79/43/265337943.db2.gz ONOFCBBUVCAEGC-UHFFFAOYSA-N -1 3 294.373 1.188 10 0 CDAEHM C[C@@H](C(=O)[O-])C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000309716126 424343902 /nfs/dbraw/zinc/34/39/02/424343902.db2.gz KWMVAENTDLYCPC-NWDGAFQWSA-N -1 3 278.352 1.344 10 0 CDAEHM Cc1cc([N-]C(=O)[C@@H](C)N2CC[C@@H](C)O[C@@H](C)C2)on1 ZINC000661855659 424626783 /nfs/dbraw/zinc/62/67/83/424626783.db2.gz AJUAECYJRSGGSN-GRYCIOLGSA-N -1 3 281.356 1.809 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CC[C@@H]2C(F)(F)F)n1 ZINC000660569739 424638667 /nfs/dbraw/zinc/63/86/67/424638667.db2.gz BUHIKBMCIROWNM-MRVPVSSYSA-N -1 3 261.247 1.881 10 0 CDAEHM COc1cc(=NC(=O)NC[C@@H]2CC[C@H](C)C2)[n-]n1C ZINC000516235234 270464045 /nfs/dbraw/zinc/46/40/45/270464045.db2.gz GERNJORTFBWYSX-VHSXEESVSA-N -1 3 266.345 1.408 10 0 CDAEHM COc1cc(=NC(=O)[C@@H](C)Cc2ccccc2C)[n-]n1C ZINC000529060894 270901457 /nfs/dbraw/zinc/90/14/57/270901457.db2.gz QQDJMPNFDMFEJN-LBPRGKRZSA-N -1 3 287.363 1.976 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000530071490 271096808 /nfs/dbraw/zinc/09/68/08/271096808.db2.gz QFKYIRUJHAKBOI-ZDUSSCGKSA-N -1 3 285.303 1.865 10 0 CDAEHM CCC(C)(C)[C@H]1CCCN1C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000335849804 276207837 /nfs/dbraw/zinc/20/78/37/276207837.db2.gz OHBZGLHAMLCRKW-LLVKDONJSA-N -1 3 293.367 1.527 10 0 CDAEHM CC(C)(C)[C@H]1CCN(C(=O)c2c([O-])cccc2O)C[C@@H]1O ZINC000273429457 277257855 /nfs/dbraw/zinc/25/78/55/277257855.db2.gz FPDAKEZQHABBBA-GWCFXTLKSA-N -1 3 293.363 1.967 10 0 CDAEHM CSc1nnc(NC(=O)c2cnn3ccc(C)nc23)[n-]1 ZINC000358180796 278178595 /nfs/dbraw/zinc/17/85/95/278178595.db2.gz KFALCUIAHHXZBY-UHFFFAOYSA-N -1 3 289.324 1.130 10 0 CDAEHM CSc1n[n-]c(NC(=O)c2cnn3ccc(C)nc23)n1 ZINC000358180796 278178598 /nfs/dbraw/zinc/17/85/98/278178598.db2.gz KFALCUIAHHXZBY-UHFFFAOYSA-N -1 3 289.324 1.130 10 0 CDAEHM C[C@H]1c2ccccc2CN1C(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000341951319 280128121 /nfs/dbraw/zinc/12/81/21/280128121.db2.gz UFDDMSADFOJSAQ-ZETCQYMHSA-N -1 3 286.291 1.187 10 0 CDAEHM COc1cc(=NC(=O)[C@H]2CCc3ccccc3O2)[n-]n1C ZINC000519810724 281040765 /nfs/dbraw/zinc/04/07/65/281040765.db2.gz ZOQPXUKTDVQCAJ-GFCCVEGCSA-N -1 3 287.319 1.183 10 0 CDAEHM Cn1ccc(S(=O)(=O)[N-]CC(C2CCC2)C2CCC2)n1 ZINC000528447576 281232967 /nfs/dbraw/zinc/23/29/67/281232967.db2.gz AJUBASIXFMTHKC-UHFFFAOYSA-N -1 3 297.424 1.915 10 0 CDAEHM COc1ccsc1S(=O)(=O)[N-]Cc1cscn1 ZINC000157202580 289281224 /nfs/dbraw/zinc/28/12/24/289281224.db2.gz RCKJMEOEQKVYID-UHFFFAOYSA-N -1 3 290.391 1.692 10 0 CDAEHM CN(C)[C@@H]1CCN(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000186777496 289316238 /nfs/dbraw/zinc/31/62/38/289316238.db2.gz SSHKJPUUTXPUML-SECBINFHSA-N -1 3 270.279 1.447 10 0 CDAEHM Cc1cc([N-]c2nccn3nnnc23)nn1[C@@H](C)C1CC1 ZINC000542262142 289538104 /nfs/dbraw/zinc/53/81/04/289538104.db2.gz HFPBTUBDWBUAFV-VIFPVBQESA-N -1 3 284.327 1.161 10 0 CDAEHM COc1cc(=NC(=O)c2sccc2SC)[n-]n1C ZINC000547493052 289780149 /nfs/dbraw/zinc/78/01/49/289780149.db2.gz BTYRUZGAPLJTAI-UHFFFAOYSA-N -1 3 283.378 1.886 10 0 CDAEHM COc1cc(=NC(=O)Cc2cc(F)ccc2OC)[n-]n1C ZINC000547520351 289784078 /nfs/dbraw/zinc/78/40/78/289784078.db2.gz LOVKDSQVEZDGFM-UHFFFAOYSA-N -1 3 293.298 1.180 10 0 CDAEHM COc1cc(=NC(=O)Cc2ccc(C)s2)[n-]n1C ZINC000548472244 289892057 /nfs/dbraw/zinc/89/20/57/289892057.db2.gz FRXKAWZLCPLQIF-UHFFFAOYSA-N -1 3 265.338 1.402 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-]CCc2cc(C)no2)nc1C ZINC000552000429 290039118 /nfs/dbraw/zinc/03/91/18/290039118.db2.gz CPIPLNRCYWLXMI-UHFFFAOYSA-N -1 3 298.368 1.029 10 0 CDAEHM CC(=O)N1CC[C@H](CNC(=O)c2cc(C)ccc2[O-])C1 ZINC000552106964 290050137 /nfs/dbraw/zinc/05/01/37/290050137.db2.gz XJLCLHJVKIBANB-GFCCVEGCSA-N -1 3 276.336 1.299 10 0 CDAEHM CCCC(=O)NCC(=O)Nc1c([O-])cccc1Cl ZINC000552436583 290070996 /nfs/dbraw/zinc/07/09/96/290070996.db2.gz MPXWZTCGNHJKOX-UHFFFAOYSA-N -1 3 270.716 1.900 10 0 CDAEHM Cc1ccsc1C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000555536005 290222926 /nfs/dbraw/zinc/22/29/26/290222926.db2.gz YKVOQECNMSWLAV-SECBINFHSA-N -1 3 291.380 1.575 10 0 CDAEHM CN(C)c1n[nH]c([N-]C(=O)c2coc(C3CCCC3)n2)n1 ZINC000557431585 290344530 /nfs/dbraw/zinc/34/45/30/290344530.db2.gz UDZFCICOMNZYLU-UHFFFAOYSA-N -1 3 290.327 1.769 10 0 CDAEHM O=S(=O)([N-]C[C@H]1CC12CCSCC2)c1c[nH]cn1 ZINC000557642228 290360065 /nfs/dbraw/zinc/36/00/65/290360065.db2.gz RLOICONWKWODFP-SECBINFHSA-N -1 3 287.410 1.221 10 0 CDAEHM COc1cc(=NC(=O)Cc2cccc(C)c2Cl)[n-]n1C ZINC000562923325 293217253 /nfs/dbraw/zinc/21/72/53/293217253.db2.gz OFMMGISBVYREGN-UHFFFAOYSA-N -1 3 293.754 1.994 10 0 CDAEHM CO[C@H](CS(=O)(=O)[N-]c1cccc2c1CCO2)C1CC1 ZINC000563135187 293285324 /nfs/dbraw/zinc/28/53/24/293285324.db2.gz IKCJOEIYYVUFTA-CQSZACIVSA-N -1 3 297.376 1.788 10 0 CDAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cn2c(n1)CCC2 ZINC000565034147 293500351 /nfs/dbraw/zinc/50/03/51/293500351.db2.gz JQHVAXXRKTXTCG-LLVKDONJSA-N -1 3 287.323 1.078 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)[C@H]1CC2CCC1CC2 ZINC000565087796 293519139 /nfs/dbraw/zinc/51/91/39/293519139.db2.gz VZZAZILYZVJTOY-IKWCTNDRSA-N -1 3 297.424 1.913 10 0 CDAEHM CCC[C@@H](C)[C@H](CO)NC(=O)c1ccccc1[O-] ZINC000568281242 294008490 /nfs/dbraw/zinc/00/84/90/294008490.db2.gz DMXOUFZFGLEJGS-PWSUYJOCSA-N -1 3 251.326 1.919 10 0 CDAEHM C[C@]1(CN=c2[n-]c(C(N)=O)cs2)CCO[C@H]1C1CC1 ZINC000568711635 294085448 /nfs/dbraw/zinc/08/54/48/294085448.db2.gz LPIVRXOZOSZRHZ-GXFFZTMASA-N -1 3 281.381 1.281 10 0 CDAEHM CCN(C(=O)c1cccc2[n-]nnc21)[C@H]1CCOC1 ZINC000569066230 294148814 /nfs/dbraw/zinc/14/88/14/294148814.db2.gz JXBSMLGKDWGVOQ-VIFPVBQESA-N -1 3 260.297 1.209 10 0 CDAEHM CCN(C(=O)c1cccc2nn[n-]c21)[C@H]1CCOC1 ZINC000569066230 294148816 /nfs/dbraw/zinc/14/88/16/294148816.db2.gz JXBSMLGKDWGVOQ-VIFPVBQESA-N -1 3 260.297 1.209 10 0 CDAEHM CCN(C(=O)c1cccc2n[n-]nc21)[C@H]1CCOC1 ZINC000569066230 294148819 /nfs/dbraw/zinc/14/88/19/294148819.db2.gz JXBSMLGKDWGVOQ-VIFPVBQESA-N -1 3 260.297 1.209 10 0 CDAEHM Cc1ccc(CN(CCO)C(=O)Cc2cncc([O-])c2)o1 ZINC000570411905 294235560 /nfs/dbraw/zinc/23/55/60/294235560.db2.gz TZCLZDYCTFCOEP-UHFFFAOYSA-N -1 3 290.319 1.252 10 0 CDAEHM O=S(=O)([N-]c1cccnc1OCC(F)F)N1CCC1 ZINC000570951203 294341003 /nfs/dbraw/zinc/34/10/03/294341003.db2.gz NHEXJYRSMUMBSZ-UHFFFAOYSA-N -1 3 293.295 1.088 10 0 CDAEHM O=S(=O)([N-][C@H]1CCCC[C@H]1C(F)(F)F)c1c[nH]cn1 ZINC000070417628 304765839 /nfs/dbraw/zinc/76/58/39/304765839.db2.gz BVYDOULLPJJTRR-SFYZADRCSA-N -1 3 297.302 1.809 10 0 CDAEHM FC(F)(F)SCCSCCc1nnn[n-]1 ZINC000917859571 632292100 /nfs/dbraw/zinc/29/21/00/632292100.db2.gz XERDTVFWFCMLEX-UHFFFAOYSA-N -1 3 258.294 1.728 10 0 CDAEHM FC(F)(F)SCCSCCc1nn[n-]n1 ZINC000917859571 632292101 /nfs/dbraw/zinc/29/21/01/632292101.db2.gz XERDTVFWFCMLEX-UHFFFAOYSA-N -1 3 258.294 1.728 10 0 CDAEHM Cn1cc(C(N)=O)cc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000350566768 316178340 /nfs/dbraw/zinc/17/83/40/316178340.db2.gz QASAKIWTSGAGIK-UHFFFAOYSA-N -1 3 284.275 1.547 10 0 CDAEHM COc1nc(NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C)n[n-]1 ZINC000563538288 316327667 /nfs/dbraw/zinc/32/76/67/316327667.db2.gz QQFDINKGANMFLY-QMMMGPOBSA-N -1 3 298.343 1.366 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C)[n-]1 ZINC000563538288 316327670 /nfs/dbraw/zinc/32/76/70/316327670.db2.gz QQFDINKGANMFLY-QMMMGPOBSA-N -1 3 298.343 1.366 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C)n1 ZINC000563538288 316327672 /nfs/dbraw/zinc/32/76/72/316327672.db2.gz QQFDINKGANMFLY-QMMMGPOBSA-N -1 3 298.343 1.366 10 0 CDAEHM COc1cc(NCc2cc(=O)[n-]c(C3CC3)n2)nn1C ZINC000563558983 316331267 /nfs/dbraw/zinc/33/12/67/316331267.db2.gz NFFUJMHEDZHRAP-UHFFFAOYSA-N -1 3 275.312 1.414 10 0 CDAEHM Cc1ccc(CN2CCC[C@@H]2c2nc(=N)n(C)[n-]2)c(C)n1 ZINC000563936125 316399205 /nfs/dbraw/zinc/39/92/05/316399205.db2.gz PYSXRTTZVIAFKP-CYBMUJFWSA-N -1 3 286.383 1.577 10 0 CDAEHM CO[C@H](CS(=O)(=O)[N-]c1cccc(O)c1)C1CC1 ZINC000566560766 316630248 /nfs/dbraw/zinc/63/02/48/316630248.db2.gz HVNPZHYHLMCYEB-GFCCVEGCSA-N -1 3 271.338 1.559 10 0 CDAEHM COc1cc(=NC(=O)N(C)[C@@H]2CCC(C)(C)C2)[n-]n1C ZINC000577169503 317276805 /nfs/dbraw/zinc/27/68/05/317276805.db2.gz RMJAMUFCIXCACX-SNVBAGLBSA-N -1 3 280.372 1.893 10 0 CDAEHM Cc1ccc([O-])c(CN2CCNC[C@@H]2C(F)F)n1 ZINC000577177915 317279588 /nfs/dbraw/zinc/27/95/88/317279588.db2.gz JHGZZWGEFFGIIS-SNVBAGLBSA-N -1 3 257.284 1.135 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCCn2ccnn2)c(F)c1 ZINC000183162955 323323299 /nfs/dbraw/zinc/32/32/99/323323299.db2.gz FTTBXVFRBSQUPB-UHFFFAOYSA-N -1 3 298.343 1.094 10 0 CDAEHM CCn1ccnc1NC(=O)c1cccc(OC)c1[O-] ZINC000382408486 323639193 /nfs/dbraw/zinc/63/91/93/323639193.db2.gz UMLPJKNWJLCPEA-UHFFFAOYSA-N -1 3 261.281 1.870 10 0 CDAEHM C[C@@]1(c2ccc(C(=O)N[C@H]3CC34CC4)cc2)NC(=O)[N-]C1=O ZINC000579229205 324133507 /nfs/dbraw/zinc/13/35/07/324133507.db2.gz ITQNESVPVDVNCB-NHYWBVRUSA-N -1 3 299.330 1.024 10 0 CDAEHM COc1ccc(CN2C[C@@H](OC)C[C@H]2CC(=O)[O-])cc1F ZINC000579723450 324266503 /nfs/dbraw/zinc/26/65/03/324266503.db2.gz IWGTXYFEPAGRPM-RYUDHWBXSA-N -1 3 297.326 1.898 10 0 CDAEHM O=C([O-])COCCN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000579735464 324272447 /nfs/dbraw/zinc/27/24/47/324272447.db2.gz CWPBRFFHPNQILT-MRXNPFEDSA-N -1 3 291.347 1.557 10 0 CDAEHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000581642763 324801468 /nfs/dbraw/zinc/80/14/68/324801468.db2.gz AWQAEGMWXQGOGO-BZBKMWRSSA-N -1 3 285.303 1.490 10 0 CDAEHM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000191041542 329557276 /nfs/dbraw/zinc/55/72/76/329557276.db2.gz XAFXQSDHMSAMFF-NXEZZACHSA-N -1 3 273.329 1.672 10 0 CDAEHM COC(=O)N(C)CCN(C)C(=O)c1ccc(C)cc1[O-] ZINC000690802329 1159535796 /nfs/dbraw/zinc/53/57/96/1159535796.db2.gz BRINKCQXUUJMTJ-UHFFFAOYSA-N -1 3 280.324 1.471 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-][C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000625578918 482456563 /nfs/dbraw/zinc/45/65/63/482456563.db2.gz VKZAWAARAJCSGA-GHMZBOCLSA-N -1 3 287.406 1.902 10 0 CDAEHM 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CCC[C@@H](C)CCNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000899203049 622095982 /nfs/dbraw/zinc/09/59/82/622095982.db2.gz FIRHFVFWRLDMKZ-SNVBAGLBSA-N -1 3 288.355 1.818 10 0 CDAEHM C/C=C/[C@H](O)C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000901225675 624053431 /nfs/dbraw/zinc/05/34/31/624053431.db2.gz AVYIZXUSNCGTQP-TZNOJPMFSA-N -1 3 279.292 1.444 10 0 CDAEHM COc1nnc(NC(=O)CC[C@@H]2CC(C)(C)CO2)[n-]1 ZINC000901286955 624114354 /nfs/dbraw/zinc/11/43/54/624114354.db2.gz MCEWVGHXNHEPGN-MRVPVSSYSA-N -1 3 268.317 1.347 10 0 CDAEHM COc1nc(NC(=O)CC[C@@H]2CC(C)(C)CO2)n[n-]1 ZINC000901286955 624114363 /nfs/dbraw/zinc/11/43/63/624114363.db2.gz MCEWVGHXNHEPGN-MRVPVSSYSA-N -1 3 268.317 1.347 10 0 CDAEHM COc1n[n-]c(NC(=O)CC[C@@H]2CC(C)(C)CO2)n1 ZINC000901286955 624114371 /nfs/dbraw/zinc/11/43/71/624114371.db2.gz MCEWVGHXNHEPGN-MRVPVSSYSA-N -1 3 268.317 1.347 10 0 CDAEHM CN1CCN(Cc2ccnc3c(C(=O)[O-])cccc23)CC1 ZINC000901415779 624227703 /nfs/dbraw/zinc/22/77/03/624227703.db2.gz PTNCTRPEITXIRM-UHFFFAOYSA-N -1 3 285.347 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Cc1cnccc1CC(=O)[N-]OCc1ccccn1 ZINC001638725548 1166866274 /nfs/dbraw/zinc/86/62/74/1166866274.db2.gz XTUDEWIEKBBVAJ-UHFFFAOYSA-N -1 3 257.293 1.576 10 0 CDAEHM O=C(CNC(=O)c1ccccc1[O-])c1cncs1 ZINC001645896066 1167559006 /nfs/dbraw/zinc/55/90/06/1167559006.db2.gz WXVLZRBGCGYQBK-UHFFFAOYSA-N -1 3 262.290 1.461 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CC[C@H]1[C@H]1CCCOC1 ZINC001649360757 1169239521 /nfs/dbraw/zinc/23/95/21/1169239521.db2.gz FUNGYESHIULSRL-GWCFXTLKSA-N -1 3 277.320 1.739 10 0 CDAEHM C[C@]1(C(=O)[O-])C[C@@H](NCc2nc3ccccc3o2)CCO1 ZINC001650016511 1169612066 /nfs/dbraw/zinc/61/20/66/1169612066.db2.gz KCJUDOVQCBFPKJ-ZUZCIYMTSA-N -1 3 290.319 1.940 10 0 CDAEHM COc1cccc2cc(CN[C@@H](CN(C)C)C(=O)[O-])oc21 ZINC001650019219 1169615579 /nfs/dbraw/zinc/61/55/79/1169615579.db2.gz ZJZIEPGDHWPCQM-LBPRGKRZSA-N -1 3 292.335 1.546 10 0 CDAEHM O=C(CCc1cncnc1)[N-]Oc1ccc(F)cc1 ZINC001584008101 1172793874 /nfs/dbraw/zinc/79/38/74/1172793874.db2.gz IFYIGCUIGXSHSQ-UHFFFAOYSA-N -1 3 261.256 1.659 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1ccc(C=O)cc1 ZINC001585162918 1172880831 /nfs/dbraw/zinc/88/08/31/1172880831.db2.gz AOJCXRSPQNDKIB-UZYOAWRESA-N -1 3 299.330 1.141 10 0 CDAEHM O=C(N[C@H](CNCCF)C1CCCC1)c1ncccc1[O-] ZINC001716815860 1180422934 /nfs/dbraw/zinc/42/29/34/1180422934.db2.gz CDQAXFAVWRYKPT-GFCCVEGCSA-N -1 3 295.358 1.635 10 0 CDAEHM CO[C@@H]1CC[C@@H](NC(=O)NN=c2cncc(Cl)[n-]2)C1 ZINC000190402361 1184524686 /nfs/dbraw/zinc/52/46/86/1184524686.db2.gz GTLRGNACPSJWSX-HTQZYQBOSA-N -1 3 285.735 1.324 10 0 CDAEHM C[C@H](C(=O)NCCCNC(=O)c1ccccc1[O-])C1CC1 ZINC001758125739 1186284332 /nfs/dbraw/zinc/28/43/32/1186284332.db2.gz BHTLPRQPDXWJJB-NSHDSACASA-N -1 3 290.363 1.674 10 0 CDAEHM C[C@@H](CNC(=O)/C=C/C1CC1)NC(=O)c1ccccc1[O-] ZINC001759766357 1186577253 /nfs/dbraw/zinc/57/72/53/1186577253.db2.gz PLWQPAHOFZBNLN-FBOQAHMBSA-N -1 3 288.347 1.593 10 0 CDAEHM COc1nnc([N-]C(=O)c2cccc3nsnc32)s1 ZINC001634833550 1166541770 /nfs/dbraw/zinc/54/17/70/1166541770.db2.gz 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C[C@H](CC(=O)[N-]OCc1cccnc1)[C@@H]1CCCO1 ZINC000830758019 824209484 /nfs/dbraw/zinc/20/94/84/824209484.db2.gz YDVADTJDROBJQL-YPMHNXCESA-N -1 3 264.325 1.835 10 0 CDAEHM CCOc1nnc(NC(=O)CCc2ccncc2)[n-]1 ZINC000228784913 824339660 /nfs/dbraw/zinc/33/96/60/824339660.db2.gz QQXIAWNNMMHVOD-UHFFFAOYSA-N -1 3 261.285 1.170 10 0 CDAEHM CCOc1nc(NC(=O)CCc2ccncc2)n[n-]1 ZINC000228784913 824339664 /nfs/dbraw/zinc/33/96/64/824339664.db2.gz QQXIAWNNMMHVOD-UHFFFAOYSA-N -1 3 261.285 1.170 10 0 CDAEHM CCOc1n[n-]c(NC(=O)CCc2ccncc2)n1 ZINC000228784913 824339669 /nfs/dbraw/zinc/33/96/69/824339669.db2.gz QQXIAWNNMMHVOD-UHFFFAOYSA-N -1 3 261.285 1.170 10 0 CDAEHM CC[C@@H]1OCC[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000802784019 824410184 /nfs/dbraw/zinc/41/01/84/824410184.db2.gz HTLDYELBAYWDMX-MFKMUULPSA-N -1 3 267.300 1.963 10 0 CDAEHM C[C@@H]1C[C@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)[C@@H](C)O1 ZINC000869656215 824450665 /nfs/dbraw/zinc/45/06/65/824450665.db2.gz SYSAWMMGLUYOLZ-HLTSFMKQSA-N -1 3 297.273 1.412 10 0 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CC[C@H](COCC1CC1)NC(=O)c1cc(=O)[n-]cn1 ZINC000628045653 356426041 /nfs/dbraw/zinc/42/60/41/356426041.db2.gz JZOGCNLSXBYERN-SNVBAGLBSA-N -1 3 265.313 1.117 10 0 CDAEHM O=c1c2c([n-]n1CCN1CCCCC1)-c1cnccc1C2 ZINC000634592861 356483171 /nfs/dbraw/zinc/48/31/71/356483171.db2.gz XBYRITIWCZJBPX-ZDUSSCGKSA-N -1 3 284.363 1.286 10 0 CDAEHM Cc1c(Br)ccc([O-])c1N1CCOCC1=O ZINC000725246315 538446775 /nfs/dbraw/zinc/44/67/75/538446775.db2.gz UWROVDFYQHOVBM-UHFFFAOYSA-N -1 3 286.125 1.826 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1CC[C@H](O)C(F)(F)C1 ZINC000628064209 356738280 /nfs/dbraw/zinc/73/82/80/356738280.db2.gz ZSDBULHNHOYFFP-JTQLQIEISA-N -1 3 271.263 1.543 10 0 CDAEHM C[C@@H]1CCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CCS1 ZINC000407986370 356825138 /nfs/dbraw/zinc/82/51/38/356825138.db2.gz ACLRGFRLQOOBPB-SECBINFHSA-N -1 3 296.396 1.216 10 0 CDAEHM O=C(NCc1cccc(CO)c1)c1cccc([O-])c1 ZINC000071353500 356913519 /nfs/dbraw/zinc/91/35/19/356913519.db2.gz PDWZIXUKNVEDQV-UHFFFAOYSA-N -1 3 257.289 1.815 10 0 CDAEHM COc1cccc(C(=O)N(C)[C@H]2CCSC2)c1[O-] ZINC000037175506 356902685 /nfs/dbraw/zinc/90/26/85/356902685.db2.gz PHPORISCJGOMKB-VIFPVBQESA-N -1 3 267.350 1.978 10 0 CDAEHM CC1(C)CO[C@@H](CN2CCSC[C@H]2CC(=O)[O-])C1 ZINC000634692258 356977861 /nfs/dbraw/zinc/97/78/61/356977861.db2.gz XASRRMDTYRVFAT-GHMZBOCLSA-N -1 3 273.398 1.694 10 0 CDAEHM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1cncc([O-])c1 ZINC000083704958 357105754 /nfs/dbraw/zinc/10/57/54/357105754.db2.gz BJVCAXGILPIIOM-DGCLKSJQSA-N -1 3 275.352 1.486 10 0 CDAEHM CCN(CC(=O)N(C)C)Cc1nc(C)ccc1[O-] ZINC000133204041 538816150 /nfs/dbraw/zinc/81/61/50/538816150.db2.gz DQRQJAGCMSMLJM-UHFFFAOYSA-N -1 3 251.330 1.006 10 0 CDAEHM CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000363940811 357522593 /nfs/dbraw/zinc/52/25/93/357522593.db2.gz VAYKTPHMEDWXCJ-YFCNSXCBSA-N -1 3 298.383 1.093 10 0 CDAEHM CC(F)(F)c1cccc(NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000187362611 357757836 /nfs/dbraw/zinc/75/78/36/357757836.db2.gz LECLUNOOJFCNKH-UHFFFAOYSA-N -1 3 297.261 1.289 10 0 CDAEHM COC[C@H](C)CS(=O)(=O)[N-]CC(=O)C1(C)CCCC1 ZINC000625549519 357772721 /nfs/dbraw/zinc/77/27/21/357772721.db2.gz NMUAYBJKXVUBGN-NSHDSACASA-N -1 3 291.413 1.338 10 0 CDAEHM COC(=O)CCCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000187656498 357790111 /nfs/dbraw/zinc/79/01/11/357790111.db2.gz JHOQZLJISVTEDD-UHFFFAOYSA-N -1 3 283.299 1.881 10 0 CDAEHM COC1(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)CCCC1 ZINC000559019393 358059947 /nfs/dbraw/zinc/05/99/47/358059947.db2.gz YETDMJKVAXOTKB-UHFFFAOYSA-N -1 3 286.335 1.791 10 0 CDAEHM CCn1nnc(C)c1C(=O)Nc1nc(C)ccc1[O-] ZINC000294827469 199200404 /nfs/dbraw/zinc/20/04/04/199200404.db2.gz AAYYCULFPYXRQM-UHFFFAOYSA-N -1 3 261.285 1.268 10 0 CDAEHM COc1ccc(C(=O)NC[C@H]2C[C@@H](OC)C2)c([O-])c1 ZINC000629825020 363612160 /nfs/dbraw/zinc/61/21/60/363612160.db2.gz ZEJKDUYCBVRAOB-JGZJWPJOSA-N -1 3 265.309 1.556 10 0 CDAEHM Cc1ccc([O-])c(CN([C@@H](C)CS(C)(=O)=O)C2CC2)n1 ZINC000093391979 358604128 /nfs/dbraw/zinc/60/41/28/358604128.db2.gz IXOSJNYOLZDUEC-NSHDSACASA-N -1 3 298.408 1.493 10 0 CDAEHM CCN(Cc1nc(C)ccc1[O-])[C@H](C)CS(C)(=O)=O ZINC000093390272 358604172 /nfs/dbraw/zinc/60/41/72/358604172.db2.gz GCPAGBRGYXENQR-LLVKDONJSA-N -1 3 286.397 1.351 10 0 CDAEHM CS(=O)(=O)c1[n-]nc2cccc(Br)c21 ZINC000095830193 358702563 /nfs/dbraw/zinc/70/25/63/358702563.db2.gz FCXXNIPRGFTCFZ-UHFFFAOYSA-N -1 3 275.127 1.729 10 0 CDAEHM CS(=O)(=O)c1n[n-]c2cccc(Br)c21 ZINC000095830193 358702565 /nfs/dbraw/zinc/70/25/65/358702565.db2.gz FCXXNIPRGFTCFZ-UHFFFAOYSA-N -1 3 275.127 1.729 10 0 CDAEHM C[C@]1(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)CC1(F)F ZINC000335230211 359073394 /nfs/dbraw/zinc/07/33/94/359073394.db2.gz KSWDQLWDZNXGDB-GFCCVEGCSA-N -1 3 278.262 1.877 10 0 CDAEHM CCN1CCC[C@H](NC(=O)c2ccc(C)cc2[O-])C1 ZINC000048482405 359208909 /nfs/dbraw/zinc/20/89/09/359208909.db2.gz ZAHOYTLRUMJHDL-LBPRGKRZSA-N -1 3 262.353 1.915 10 0 CDAEHM CC(C)[C@H]1N(C(=O)c2csc(=O)[n-]2)C[C@]12CCCO2 ZINC000329344822 202292612 /nfs/dbraw/zinc/29/26/12/202292612.db2.gz UKUGCVDJORHNER-ZWNOBZJWSA-N -1 3 282.365 1.878 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1[O-] ZINC000408466786 359812017 /nfs/dbraw/zinc/81/20/17/359812017.db2.gz MCYSEBRAIZQWFG-CYBMUJFWSA-N -1 3 288.347 1.515 10 0 CDAEHM CC(C)(O)C(C)(C)NC(=O)c1ccc(O)cc1[O-] ZINC000227687783 359839696 /nfs/dbraw/zinc/83/96/96/359839696.db2.gz OSPQGVGRFCYWLC-UHFFFAOYSA-N -1 3 253.298 1.377 10 0 CDAEHM CCC[C@H](C)CC(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297634336 200247228 /nfs/dbraw/zinc/24/72/28/200247228.db2.gz CQEDOLOOIQJSMK-QMMMGPOBSA-N -1 3 279.344 1.462 10 0 CDAEHM CCC[C@H](C)CC(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297634336 200247230 /nfs/dbraw/zinc/24/72/30/200247230.db2.gz CQEDOLOOIQJSMK-QMMMGPOBSA-N -1 3 279.344 1.462 10 0 CDAEHM CCC[C@H](C)CC(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297634336 200247231 /nfs/dbraw/zinc/24/72/31/200247231.db2.gz CQEDOLOOIQJSMK-QMMMGPOBSA-N -1 3 279.344 1.462 10 0 CDAEHM COc1ccc2c(c1)CCN2C(=O)[N-]c1ncnn1C ZINC000297714223 200266482 /nfs/dbraw/zinc/26/64/82/200266482.db2.gz JEIIUSSWJUPBPR-UHFFFAOYSA-N -1 3 273.296 1.418 10 0 CDAEHM CC[C@@H](CC(=O)Nc1[n-]nnc1C(=O)NC1CC1)C(C)C ZINC000297864428 200294028 /nfs/dbraw/zinc/29/40/28/200294028.db2.gz YZJGHPUQSYUHLP-VIFPVBQESA-N -1 3 293.371 1.708 10 0 CDAEHM CC[C@@H](CC(=O)Nc1nn[n-]c1C(=O)NC1CC1)C(C)C ZINC000297864428 200294030 /nfs/dbraw/zinc/29/40/30/200294030.db2.gz YZJGHPUQSYUHLP-VIFPVBQESA-N -1 3 293.371 1.708 10 0 CDAEHM CC[C@@H](CC(=O)Nc1n[n-]nc1C(=O)NC1CC1)C(C)C ZINC000297864428 200294031 /nfs/dbraw/zinc/29/40/31/200294031.db2.gz YZJGHPUQSYUHLP-VIFPVBQESA-N -1 3 293.371 1.708 10 0 CDAEHM C[C@H]1C[C@@H](NC(=O)c2ccc3c(c2[O-])CCCC3)C(=O)O1 ZINC000298251495 200372038 /nfs/dbraw/zinc/37/20/38/200372038.db2.gz DZYCEQYXCGJSRQ-TVQRCGJNSA-N -1 3 289.331 1.705 10 0 CDAEHM Cc1nn(C)c(C)c1CCNC(=O)c1cccc([O-])c1 ZINC000082261309 360072567 /nfs/dbraw/zinc/07/25/67/360072567.db2.gz GSLOVLIFTXYSDY-UHFFFAOYSA-N -1 3 273.336 1.715 10 0 CDAEHM CC(C)CC1(CNC(=O)CN2CC(=O)[N-]C2=O)CCCC1 ZINC000087478456 360141240 /nfs/dbraw/zinc/14/12/40/360141240.db2.gz PDCUQDUJIXNMCF-UHFFFAOYSA-N -1 3 295.383 1.261 10 0 CDAEHM Cn1cc(Br)c(=NC(=O)[C@@]2(C)CCCO2)[n-]1 ZINC000335394452 360148245 /nfs/dbraw/zinc/14/82/45/360148245.db2.gz VIGBEKLOJQZDGH-SNVBAGLBSA-N -1 3 288.145 1.112 10 0 CDAEHM COC(OC)[C@H](C)[N-]C(=O)C(F)(F)c1ncccc1C ZINC000298315478 200393066 /nfs/dbraw/zinc/39/30/66/200393066.db2.gz JNRVPZUXKJMKQS-VIFPVBQESA-N -1 3 288.294 1.605 10 0 CDAEHM O[C@H](CN=c1cc(-c2ccccc2)n2[n-]cnc2n1)C1CC1 ZINC000631097442 360233328 /nfs/dbraw/zinc/23/33/28/360233328.db2.gz AXIOCQOBAAXOMF-CQSZACIVSA-N -1 3 295.346 1.396 10 0 CDAEHM CCCCCC[C@H](C)NC(=O)C1CC2(C1)NC(=O)[N-]C2=O ZINC000154869453 360404621 /nfs/dbraw/zinc/40/46/21/360404621.db2.gz LZEIKCAPLFOJLT-NLTNOIMHSA-N -1 3 295.383 1.450 10 0 CDAEHM O=S(=O)([N-]CCCCn1ccnc1)c1cscn1 ZINC000515379320 360484626 /nfs/dbraw/zinc/48/46/26/360484626.db2.gz SKLMIAIPHFNKTF-UHFFFAOYSA-N -1 3 286.382 1.098 10 0 CDAEHM COC(=O)c1cc(N)c([O-])c(I)c1 ZINC000145674128 360594960 /nfs/dbraw/zinc/59/49/60/360594960.db2.gz LBZLWLWHPNOUBZ-UHFFFAOYSA-N -1 3 293.060 1.366 10 0 CDAEHM Cc1cccc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c1[O-] ZINC000408410083 360851968 /nfs/dbraw/zinc/85/19/68/360851968.db2.gz JHOLVHHPTZOPLY-KBPBESRZSA-N -1 3 290.363 1.246 10 0 CDAEHM CN(C[C@H]1CCCO1)C(=O)c1ccc(O)cc1[O-] ZINC000179473056 189197200 /nfs/dbraw/zinc/19/72/00/189197200.db2.gz BDAJKELTYFXKBR-SNVBAGLBSA-N -1 3 251.282 1.349 10 0 CDAEHM CCN1CC[C@@H](NC(=O)c2ccc([O-])cc2F)C1 ZINC000334576628 360932356 /nfs/dbraw/zinc/93/23/56/360932356.db2.gz AFJUIGBEBVRJNL-SECBINFHSA-N -1 3 252.289 1.355 10 0 CDAEHM CC(C)CSCCNC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000338810827 361053481 /nfs/dbraw/zinc/05/34/81/361053481.db2.gz NSVLAZCPUAASMB-UHFFFAOYSA-N -1 3 298.412 1.367 10 0 CDAEHM CCc1ccc(C(=O)N2CC3(C2)CCCO3)c([O-])c1 ZINC000628790686 361098771 /nfs/dbraw/zinc/09/87/71/361098771.db2.gz XFPYCMYTLPLIMM-UHFFFAOYSA-N -1 3 261.321 1.960 10 0 CDAEHM O=C(CN1CCN2CCC[C@@H]2C1)[N-]OCc1ccccc1 ZINC000180482492 189257733 /nfs/dbraw/zinc/25/77/33/189257733.db2.gz AFCOMFQGCSXQKA-OAHLLOKOSA-N -1 3 289.379 1.014 10 0 CDAEHM CN1CCCC(C)(C)[C@@H]1CN=c1[n-]c(C(N)=O)cs1 ZINC000432144611 361115159 /nfs/dbraw/zinc/11/51/59/361115159.db2.gz ZXJINVDPBPCUOX-JTQLQIEISA-N -1 3 282.413 1.196 10 0 CDAEHM COC(=O)CCCCC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000338930312 361139484 /nfs/dbraw/zinc/13/94/84/361139484.db2.gz VCFTUYPSGTTXDV-NSHDSACASA-N -1 3 295.339 1.355 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC[C@@H](C)F ZINC000339035998 361228219 /nfs/dbraw/zinc/22/82/19/361228219.db2.gz RBXGRNUMAKOELW-ZCFIWIBFSA-N -1 3 250.295 1.318 10 0 CDAEHM Cc1cc(S(=O)(=O)[N-]CC(=O)C(C)C)c(F)cc1F ZINC000133672072 361423199 /nfs/dbraw/zinc/42/31/99/361423199.db2.gz BUFHFRJLJSXZJW-UHFFFAOYSA-N -1 3 291.319 1.777 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCO[C@@H](CCF)C1 ZINC000629020574 361417831 /nfs/dbraw/zinc/41/78/31/361417831.db2.gz AMYXMUCSBZXAEH-JTQLQIEISA-N -1 3 253.273 1.593 10 0 CDAEHM COCCCn1c(=O)[n-]nc1SC[C@H]1C[C@@H]1C ZINC000629099162 361517051 /nfs/dbraw/zinc/51/70/51/361517051.db2.gz AGCXPBQTWNPKTC-DTWKUNHWSA-N -1 3 257.359 1.768 10 0 CDAEHM CC(=O)c1ccc(C(=O)NCC2(CCO)CC2)cc1[O-] ZINC000436673898 361555322 /nfs/dbraw/zinc/55/53/22/361555322.db2.gz SRPVHBDJVFYRAS-UHFFFAOYSA-N -1 3 277.320 1.487 10 0 CDAEHM COc1cccc(C(=O)NC[C@H](O)COCC(C)C)c1[O-] ZINC000436985904 361631143 /nfs/dbraw/zinc/63/11/43/361631143.db2.gz IMOOERSUSFESNF-NSHDSACASA-N -1 3 297.351 1.164 10 0 CDAEHM O=C(N[C@H]1CO[C@H](C2CC2)C1)c1ccc2n[n-]nc2c1 ZINC000629138163 361633771 /nfs/dbraw/zinc/63/37/71/361633771.db2.gz GTTGWRFKAFIEDU-MFKMUULPSA-N -1 3 272.308 1.255 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-]C[C@H](C)CC(F)F)cn1 ZINC000645795746 361706647 /nfs/dbraw/zinc/70/66/47/361706647.db2.gz OVBKDLLTURNDPB-MRVPVSSYSA-N -1 3 281.328 1.473 10 0 CDAEHM COc1cccc(C(=O)NCCCO[C@@H]2CCOC2)c1[O-] ZINC000268280318 364023048 /nfs/dbraw/zinc/02/30/48/364023048.db2.gz VQACCJUCMYWVQO-LLVKDONJSA-N -1 3 295.335 1.326 10 0 CDAEHM O=C(CCc1ccco1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352982483 364694420 /nfs/dbraw/zinc/69/44/20/364694420.db2.gz CJYCQPJCLWEERN-GFCCVEGCSA-N -1 3 275.308 1.847 10 0 CDAEHM CCC(C)(C)N[C@@H](C)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352989706 364698383 /nfs/dbraw/zinc/69/83/83/364698383.db2.gz RJOAIIPSYHTDCY-CMPLNLGQSA-N -1 3 294.399 1.788 10 0 CDAEHM CCN1CCCC[C@@H]1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352994811 364701364 /nfs/dbraw/zinc/70/13/64/364701364.db2.gz VKLNVLWMSYNJLJ-CHWSQXEVSA-N -1 3 292.383 1.496 10 0 CDAEHM CCCN(C)S(=O)(=O)[N-]c1cc(F)ccc1OC ZINC000271047986 364891657 /nfs/dbraw/zinc/89/16/57/364891657.db2.gz NATRULZIHOSPRY-UHFFFAOYSA-N -1 3 276.333 1.833 10 0 CDAEHM O=C(NCc1ncccc1[O-])N[C@@H]1COc2ccccc21 ZINC000471782015 364979782 /nfs/dbraw/zinc/97/97/82/364979782.db2.gz SOHAKEDBVBQPJZ-GFCCVEGCSA-N -1 3 285.303 1.720 10 0 CDAEHM CO[C@]1(C)C[C@H](NC(=O)NCc2ncccc2[O-])C1(C)C ZINC000471986927 365040981 /nfs/dbraw/zinc/04/09/81/365040981.db2.gz ZXHNJJTXAVQGFU-SWLSCSKDSA-N -1 3 293.367 1.790 10 0 CDAEHM CSc1nnc(NC(=O)CCc2ccc(C)o2)[n-]1 ZINC000471985243 365040989 /nfs/dbraw/zinc/04/09/89/365040989.db2.gz RPKGZKOKXBTAMD-UHFFFAOYSA-N -1 3 266.326 1.999 10 0 CDAEHM CSc1n[n-]c(NC(=O)CCc2ccc(C)o2)n1 ZINC000471985243 365040992 /nfs/dbraw/zinc/04/09/92/365040992.db2.gz RPKGZKOKXBTAMD-UHFFFAOYSA-N -1 3 266.326 1.999 10 0 CDAEHM CSc1nc(NC(=O)CCc2ccc(C)o2)n[n-]1 ZINC000471985243 365040995 /nfs/dbraw/zinc/04/09/95/365040995.db2.gz RPKGZKOKXBTAMD-UHFFFAOYSA-N -1 3 266.326 1.999 10 0 CDAEHM COc1nnc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)[n-]1 ZINC000272385551 365216556 /nfs/dbraw/zinc/21/65/56/365216556.db2.gz CGEWPTQIKOCMBE-ABAIWWIYSA-N -1 3 284.319 1.656 10 0 CDAEHM COc1nc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)n[n-]1 ZINC000272385551 365216562 /nfs/dbraw/zinc/21/65/62/365216562.db2.gz CGEWPTQIKOCMBE-ABAIWWIYSA-N -1 3 284.319 1.656 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H]2C[C@]23CCc2ccccc23)n1 ZINC000272385551 365216568 /nfs/dbraw/zinc/21/65/68/365216568.db2.gz CGEWPTQIKOCMBE-ABAIWWIYSA-N -1 3 284.319 1.656 10 0 CDAEHM COc1cc(C(=O)NCCc2nc(C)no2)ccc1[O-] ZINC000272646280 365335322 /nfs/dbraw/zinc/33/53/22/365335322.db2.gz ZBVBBCQVGOGVSO-UHFFFAOYSA-N -1 3 277.280 1.065 10 0 CDAEHM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCN[C@H](C)C1)c2=O ZINC000189011922 365501460 /nfs/dbraw/zinc/50/14/60/365501460.db2.gz TYUOVXUGZNURGJ-SNVBAGLBSA-N -1 3 286.335 1.078 10 0 CDAEHM Cc1ccc2c([O-])c(C(=O)N3CCN[C@H](C)C3)cnc2n1 ZINC000189011922 365501465 /nfs/dbraw/zinc/50/14/65/365501465.db2.gz TYUOVXUGZNURGJ-SNVBAGLBSA-N -1 3 286.335 1.078 10 0 CDAEHM COc1cccc(C(=O)Nc2nc(C)nn2C)c1[O-] ZINC000183682235 365507258 /nfs/dbraw/zinc/50/72/58/365507258.db2.gz QYHFJCLDTMLOFK-UHFFFAOYSA-N -1 3 262.269 1.090 10 0 CDAEHM Cc1ccc([O-])c(CN(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000279508889 367022223 /nfs/dbraw/zinc/02/22/23/367022223.db2.gz WYJBDLDOKCNSPZ-OKILXGFUSA-N -1 3 293.411 1.637 10 0 CDAEHM COCC[C@@H](COC)NC(=O)c1cccc(C)c1[O-] ZINC000311783975 367142963 /nfs/dbraw/zinc/14/29/63/367142963.db2.gz IFKWVKSUKHYPRR-NSHDSACASA-N -1 3 267.325 1.482 10 0 CDAEHM CCN(C)S(=O)(=O)[N-]c1cccc2c1OCC[C@@H]2O ZINC000375648603 370887377 /nfs/dbraw/zinc/88/73/77/370887377.db2.gz YARULQIYEFITLC-NSHDSACASA-N -1 3 286.353 1.111 10 0 CDAEHM [O-]c1cccnc1CNc1ccc(C(F)(F)F)nn1 ZINC000359908584 368009911 /nfs/dbraw/zinc/00/99/11/368009911.db2.gz XHNQFGKMRMBSOJ-UHFFFAOYSA-N -1 3 270.214 1.630 10 0 CDAEHM C[C@@]1(Br)C[C@H]1C(=O)[N-]OCC(F)F ZINC000529032558 368065238 /nfs/dbraw/zinc/06/52/38/368065238.db2.gz VNJBKKPISJSQEP-MHTLYPKNSA-N -1 3 258.062 1.473 10 0 CDAEHM CC1CCC(C)(C[N-]S(=O)(=O)c2c[nH]cn2)CC1 ZINC000360207964 368177068 /nfs/dbraw/zinc/17/70/68/368177068.db2.gz SZKJXPQNQCEPHA-UHFFFAOYSA-N -1 3 271.386 1.904 10 0 CDAEHM CC[C@@H]1COCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000360277341 368208321 /nfs/dbraw/zinc/20/83/21/368208321.db2.gz BDENPAXZHPWLRE-LLVKDONJSA-N -1 3 286.331 1.779 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)Cc1ccon1)c1nccs1 ZINC000360464533 368307255 /nfs/dbraw/zinc/30/72/55/368307255.db2.gz BWEJQHPHYQFZBD-VIFPVBQESA-N -1 3 287.366 1.702 10 0 CDAEHM COc1cc(C(=O)NC(C)(C)[C@H](C)O)ccc1[O-] ZINC000275971206 193177175 /nfs/dbraw/zinc/17/71/75/193177175.db2.gz JZBHPCNUGFOKOZ-QMMMGPOBSA-N -1 3 253.298 1.290 10 0 CDAEHM O=C(N[C@@H]1CCCc2cc(F)ccc21)c1c[n-]nn1 ZINC000119784293 284039896 /nfs/dbraw/zinc/03/98/96/284039896.db2.gz HSBJFQISHUTLBW-LLVKDONJSA-N -1 3 260.272 1.751 10 0 CDAEHM O=C(N[C@@H]1CCCc2cc(F)ccc21)c1cnn[n-]1 ZINC000119784293 284039901 /nfs/dbraw/zinc/03/99/01/284039901.db2.gz HSBJFQISHUTLBW-LLVKDONJSA-N -1 3 260.272 1.751 10 0 CDAEHM O=C(N[C@@H]1CCCc2cc(F)ccc21)c1cn[n-]n1 ZINC000119784293 284039903 /nfs/dbraw/zinc/03/99/03/284039903.db2.gz HSBJFQISHUTLBW-LLVKDONJSA-N -1 3 260.272 1.751 10 0 CDAEHM C[C@H]1CC(CCN2CCN3C(=O)[N-]C(=O)[C@H]3C2)C[C@H](C)C1 ZINC000539812512 368481055 /nfs/dbraw/zinc/48/10/55/368481055.db2.gz DTVAXXRYXYYKIN-YRGRVCCFSA-N -1 3 293.411 1.685 10 0 CDAEHM C[C@H]1CCCN(S(=O)(=O)[N-]c2cccc3c2OCO3)C1 ZINC000542015905 368718872 /nfs/dbraw/zinc/71/88/72/368718872.db2.gz VNNSTMDUFGLBEE-JTQLQIEISA-N -1 3 298.364 1.804 10 0 CDAEHM O=C(CCNC(=O)c1cccc([O-])c1)Nc1ccccn1 ZINC000543745070 368966389 /nfs/dbraw/zinc/96/63/89/368966389.db2.gz RHVBIEKNUWJSIX-UHFFFAOYSA-N -1 3 285.303 1.546 10 0 CDAEHM CCN[C@H](C)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000630572813 369264517 /nfs/dbraw/zinc/26/45/17/369264517.db2.gz NEDFBKXIDZNXRH-TZMCWYRMSA-N -1 3 292.379 1.577 10 0 CDAEHM O=C1[N-][C@H](CF)C(=O)N1Cc1c(F)cc(F)c(F)c1F ZINC000287669963 369274246 /nfs/dbraw/zinc/27/42/46/369274246.db2.gz LFQSLGARHZNCHR-SSDOTTSWSA-N -1 3 294.179 1.633 10 0 CDAEHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@@H](C(C)=O)C(C)C ZINC000577608769 317365451 /nfs/dbraw/zinc/36/54/51/317365451.db2.gz CHMWILCFOUOFME-SNVBAGLBSA-N -1 3 298.364 1.983 10 0 CDAEHM COC(=O)[C@H]1CCN(C(=O)c2ccc([O-])c(OC)c2)C1 ZINC000276156783 193229229 /nfs/dbraw/zinc/22/92/29/193229229.db2.gz PPYFWOWIVYWMRY-JTQLQIEISA-N -1 3 279.292 1.036 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCC(Cn2cncn2)CC1 ZINC000368726611 369576234 /nfs/dbraw/zinc/57/62/34/369576234.db2.gz GQSOIALKQXSFGQ-UHFFFAOYSA-N -1 3 286.335 1.536 10 0 CDAEHM COc1cc(=NC(=O)c2cn3ccc(C)cc3n2)[n-]n1C ZINC000547492627 369568281 /nfs/dbraw/zinc/56/82/81/369568281.db2.gz KPHUDKKUCNOOGL-UHFFFAOYSA-N -1 3 285.307 1.059 10 0 CDAEHM COc1cc(=NC(=O)c2ccc(C(C)C)nc2)[n-]n1C ZINC000547815971 369654920 /nfs/dbraw/zinc/65/49/20/369654920.db2.gz LUXMUIGJFNZKDZ-UHFFFAOYSA-N -1 3 274.324 1.621 10 0 CDAEHM CC[C@H]1[C@@H](C)CCN1C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000547838730 369665440 /nfs/dbraw/zinc/66/54/40/369665440.db2.gz YDPGZQPXJDRXIH-UWVGGRQHSA-N -1 3 266.345 1.503 10 0 CDAEHM CCc1ccc(OCC(=O)N=c2cc(OC)n(C)[n-]2)cc1 ZINC000548145057 369769097 /nfs/dbraw/zinc/76/90/97/369769097.db2.gz CFRQIZZXDVHWKA-UHFFFAOYSA-N -1 3 289.335 1.431 10 0 CDAEHM Cc1nn(C)c(C)c1NC([O-])=NOC/C=C/Cl ZINC000290239254 369841473 /nfs/dbraw/zinc/84/14/73/369841473.db2.gz VIBAFWHRNNJISF-SNAWJCMRSA-N -1 3 258.709 1.843 10 0 CDAEHM Cc1nn(C)c(C)c1NC(=O)[N-]OC/C=C/Cl ZINC000290239254 369841478 /nfs/dbraw/zinc/84/14/78/369841478.db2.gz VIBAFWHRNNJISF-SNAWJCMRSA-N -1 3 258.709 1.843 10 0 CDAEHM COc1cc(=NC(=O)[C@H]2CCCc3ccccc32)[n-]n1C ZINC000548473161 369869712 /nfs/dbraw/zinc/86/97/12/369869712.db2.gz IXZQPQGCVVBMCH-ZDUSSCGKSA-N -1 3 285.347 1.909 10 0 CDAEHM Cc1ccc(C(=O)N2CC(F)(F)C[C@@H]2CO)c([O-])c1 ZINC000370400200 370042208 /nfs/dbraw/zinc/04/22/08/370042208.db2.gz OHJNBEAHBPBCJE-SECBINFHSA-N -1 3 271.263 1.543 10 0 CDAEHM CC(C)[C@H](C)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000290859251 370074602 /nfs/dbraw/zinc/07/46/02/370074602.db2.gz AFBGZDAEBSAGRN-VIFPVBQESA-N -1 3 291.351 1.813 10 0 CDAEHM Cc1cc(=O)[nH]cc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119510312 370146463 /nfs/dbraw/zinc/14/64/63/370146463.db2.gz QYCLXQITACBGTI-UHFFFAOYSA-N -1 3 298.306 1.059 10 0 CDAEHM Cc1cc(=O)[nH]cc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119510312 370146466 /nfs/dbraw/zinc/14/64/66/370146466.db2.gz 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Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(C)c1[O-] ZINC000081580147 177823859 /nfs/dbraw/zinc/82/38/59/177823859.db2.gz BSBICYLZMKTSBZ-GFCCVEGCSA-N -1 3 286.335 1.865 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)C(C)(C)O)c(F)c1F ZINC000624992872 390200601 /nfs/dbraw/zinc/20/06/01/390200601.db2.gz LEMUROLRLARHAW-QMMMGPOBSA-N -1 3 293.335 1.711 10 0 CDAEHM Cn1[nH]cnc1=NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646907487 390285015 /nfs/dbraw/zinc/28/50/15/390285015.db2.gz OFYAXUWGINVTMV-UHFFFAOYSA-N -1 3 286.213 1.214 10 0 CDAEHM O=c1[nH]c(COC[C@@H]2CCOC2)nc2ccc([O-])cc21 ZINC000647603241 391029701 /nfs/dbraw/zinc/02/97/01/391029701.db2.gz KCFGRCGEAIFFTO-SECBINFHSA-N -1 3 276.292 1.594 10 0 CDAEHM CCOC(=O)c1csc(=NC[C@@H]2C[C@H](C)O[C@@H]2C)[n-]1 ZINC000413526979 391085160 /nfs/dbraw/zinc/08/51/60/391085160.db2.gz DBRUFNOBMQDHDY-AEJSXWLSSA-N -1 3 284.381 1.967 10 0 CDAEHM Cc1cccc(C(=O)N2C[C@H](C)N(CCO)C[C@H]2C)c1[O-] ZINC000416293020 391258821 /nfs/dbraw/zinc/25/88/21/391258821.db2.gz 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/nfs/dbraw/zinc/45/75/74/391457574.db2.gz XWXCLVSLILVPOD-UHFFFAOYSA-N -1 3 289.339 1.868 10 0 CDAEHM COCC(C)(C)CC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000411453949 391457578 /nfs/dbraw/zinc/45/75/78/391457578.db2.gz XWXCLVSLILVPOD-UHFFFAOYSA-N -1 3 289.339 1.868 10 0 CDAEHM CC1(C)SC[C@H]1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000283453294 391476167 /nfs/dbraw/zinc/47/61/67/391476167.db2.gz UTDKKPBJYGDIDL-SECBINFHSA-N -1 3 280.328 1.721 10 0 CDAEHM CC1(C)SC[C@H]1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000283453294 391476170 /nfs/dbraw/zinc/47/61/70/391476170.db2.gz UTDKKPBJYGDIDL-SECBINFHSA-N -1 3 280.328 1.721 10 0 CDAEHM CC1(C)SC[C@H]1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000283453294 391476173 /nfs/dbraw/zinc/47/61/73/391476173.db2.gz UTDKKPBJYGDIDL-SECBINFHSA-N -1 3 280.328 1.721 10 0 CDAEHM COc1ccc(F)cc1CN[C@]1(C(=O)[O-])CCOC1 ZINC000417568437 391669584 /nfs/dbraw/zinc/66/95/84/391669584.db2.gz OYLGEUQGWBLNJF-CYBMUJFWSA-N -1 3 269.272 1.168 10 0 CDAEHM CCN1CCN(C(=O)c2ncc(C)cc2[O-])[C@@H](C)C1 ZINC000341838661 130083903 /nfs/dbraw/zinc/08/39/03/130083903.db2.gz DJUSCXSRLQKBEV-NSHDSACASA-N -1 3 263.341 1.262 10 0 CDAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC2)c(C)o1 ZINC000430013736 391889069 /nfs/dbraw/zinc/88/90/69/391889069.db2.gz QXJQGKPXPFKEMW-VHSXEESVSA-N -1 3 299.348 1.451 10 0 CDAEHM C[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)C1 ZINC000549726123 391957692 /nfs/dbraw/zinc/95/76/92/391957692.db2.gz KNFBVOHQGOZQFL-IJLUTSLNSA-N -1 3 291.399 1.717 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2cccs2)nc1=N ZINC000549729592 391958474 /nfs/dbraw/zinc/95/84/74/391958474.db2.gz XZFWBUMAMMSIDW-QMMMGPOBSA-N -1 3 277.353 1.266 10 0 CDAEHM C/C=C\C[C@@H]([N-]S(=O)(=O)CCC1CC1)C(=O)OCC ZINC000440093900 392167593 /nfs/dbraw/zinc/16/75/93/392167593.db2.gz VAQRBRSVCXCCMF-KTLBGCOUSA-N -1 3 289.397 1.604 10 0 CDAEHM Cn1cccc1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000440605399 392216286 /nfs/dbraw/zinc/21/62/86/392216286.db2.gz LPCWTQJNENGJNK-UHFFFAOYSA-N -1 3 281.315 1.797 10 0 CDAEHM O=C(C[C@@H](O)Cc1ccccc1)NCc1ncccc1[O-] ZINC000487553593 392247942 /nfs/dbraw/zinc/24/79/42/392247942.db2.gz CGBXAUQQRHJRNV-ZDUSSCGKSA-N -1 3 286.331 1.397 10 0 CDAEHM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cscn2)C1 ZINC000645841884 392252244 /nfs/dbraw/zinc/25/22/44/392252244.db2.gz TWKVXVZIFPFODW-DTORHVGOSA-N -1 3 290.410 1.768 10 0 CDAEHM CCn1cccc(CN=c2[n-]ccnc2OC(C)C)c1=O ZINC000432843510 392280908 /nfs/dbraw/zinc/28/09/08/392280908.db2.gz QDOSHLONCFGFKY-UHFFFAOYSA-N -1 3 288.351 1.479 10 0 CDAEHM CCCn1ncnc1CN1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000300001023 392446286 /nfs/dbraw/zinc/44/62/86/392446286.db2.gz PTPCLIOWYDXEGZ-DMDPSCGWSA-N -1 3 278.356 1.373 10 0 CDAEHM C[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccccc1Cl ZINC000264639749 131481245 /nfs/dbraw/zinc/48/12/45/131481245.db2.gz FAXHIOOEJBOCTI-MRVPVSSYSA-N -1 3 295.726 1.069 10 0 CDAEHM CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000574165107 392533349 /nfs/dbraw/zinc/53/33/49/392533349.db2.gz 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PRLZCFLBUKULCI-UHFFFAOYSA-N -1 3 287.279 1.556 10 0 CDAEHM COc1nc(NC(=O)c2cc3cc(OC)ccc3[nH]2)n[n-]1 ZINC000188948215 393006361 /nfs/dbraw/zinc/00/63/61/393006361.db2.gz PRLZCFLBUKULCI-UHFFFAOYSA-N -1 3 287.279 1.556 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cc3cc(OC)ccc3[nH]2)n1 ZINC000188948215 393006366 /nfs/dbraw/zinc/00/63/66/393006366.db2.gz PRLZCFLBUKULCI-UHFFFAOYSA-N -1 3 287.279 1.556 10 0 CDAEHM COc1cc(=NC(=O)c2ccc(C)nc2C2CC2)[n-]n1C ZINC000521560394 393016565 /nfs/dbraw/zinc/01/65/65/393016565.db2.gz MXJUPTGOUZQGSB-UHFFFAOYSA-N -1 3 286.335 1.684 10 0 CDAEHM CCN(CC(=O)OC)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459334140 393094765 /nfs/dbraw/zinc/09/47/65/393094765.db2.gz FIKWAJDZYTZALY-UHFFFAOYSA-N -1 3 265.313 1.055 10 0 CDAEHM CCn1ccc(C(=O)N=c2[nH][n-]c(C(C)C)c2C)n1 ZINC000649228158 393118722 /nfs/dbraw/zinc/11/87/22/393118722.db2.gz BXQBUFWPEVVCBM-UHFFFAOYSA-N -1 3 261.329 1.732 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cccc(C(N)=O)c1 ZINC000649233622 393133386 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140061439 /nfs/dbraw/zinc/06/14/39/140061439.db2.gz KUXWUDYLZAMUDU-XYBNCVKDSA-N -1 3 288.303 1.109 10 0 CDAEHM C[C@@H](CC(=O)Nc1ncccc1[O-])N1CCCCC1=O ZINC000188890321 140103201 /nfs/dbraw/zinc/10/32/01/140103201.db2.gz LRTVOZDGOLIHNU-JTQLQIEISA-N -1 3 277.324 1.517 10 0 CDAEHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cn[nH]c1 ZINC000229967564 140204464 /nfs/dbraw/zinc/20/44/64/140204464.db2.gz ZTZOTFOMWNPJCX-SECBINFHSA-N -1 3 282.303 1.742 10 0 CDAEHM Cc1cnn(CCNC(=O)c2cc([O-])ccc2Cl)c1 ZINC000235942317 140238202 /nfs/dbraw/zinc/23/82/02/140238202.db2.gz ISQHPIIDFKAKPW-UHFFFAOYSA-N -1 3 279.727 1.981 10 0 CDAEHM C[C@@H](CCCO)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000094945473 147101180 /nfs/dbraw/zinc/10/11/80/147101180.db2.gz OWLGUGLXMRZRRE-JTQLQIEISA-N -1 3 274.320 1.419 10 0 CDAEHM Cc1ccc([O-])c(CN2CC[C@@H](C)S(=O)(=O)CC2)n1 ZINC000277307235 292164153 /nfs/dbraw/zinc/16/41/53/292164153.db2.gz BKSKWPVDDBHPQP-LLVKDONJSA-N -1 3 284.381 1.105 10 0 CDAEHM Cc1nc(C)c(CC(=O)NC[C@H](C)C(C)C)c(=O)[n-]1 ZINC000352396554 155158240 /nfs/dbraw/zinc/15/82/40/155158240.db2.gz CNFKKZCDWIHLSM-VIFPVBQESA-N -1 3 265.357 1.750 10 0 CDAEHM CCC[C@@H](C)NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000683401637 483509971 /nfs/dbraw/zinc/50/99/71/483509971.db2.gz VGGSWPQMSVBHDT-MRVPVSSYSA-N -1 3 252.318 1.167 10 0 CDAEHM COc1nnc(NC(=O)c2cnn(-c3ccccc3)c2C)[n-]1 ZINC000179363381 148109521 /nfs/dbraw/zinc/10/95/21/148109521.db2.gz OWDFQMVBHQDGOJ-UHFFFAOYSA-N -1 3 298.306 1.560 10 0 CDAEHM COc1nc(NC(=O)c2cnn(-c3ccccc3)c2C)n[n-]1 ZINC000179363381 148109524 /nfs/dbraw/zinc/10/95/24/148109524.db2.gz OWDFQMVBHQDGOJ-UHFFFAOYSA-N -1 3 298.306 1.560 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cnn(-c3ccccc3)c2C)n1 ZINC000179363381 148109526 /nfs/dbraw/zinc/10/95/26/148109526.db2.gz OWDFQMVBHQDGOJ-UHFFFAOYSA-N -1 3 298.306 1.560 10 0 CDAEHM COc1nnc(NC(=O)C[C@@H](C)c2ccc(OC)cc2)[n-]1 ZINC000182987452 148279901 /nfs/dbraw/zinc/27/99/01/148279901.db2.gz YITRLNPSJKRBCE-SECBINFHSA-N -1 3 290.323 1.954 10 0 CDAEHM COc1nc(NC(=O)C[C@@H](C)c2ccc(OC)cc2)n[n-]1 ZINC000182987452 148279904 /nfs/dbraw/zinc/27/99/04/148279904.db2.gz YITRLNPSJKRBCE-SECBINFHSA-N -1 3 290.323 1.954 10 0 CDAEHM COc1n[n-]c(NC(=O)C[C@@H](C)c2ccc(OC)cc2)n1 ZINC000182987452 148279908 /nfs/dbraw/zinc/27/99/08/148279908.db2.gz YITRLNPSJKRBCE-SECBINFHSA-N -1 3 290.323 1.954 10 0 CDAEHM Cc1nnc(CS(=O)(=O)c2cccc([O-])c2)n1C1CC1 ZINC000183988923 148323654 /nfs/dbraw/zinc/32/36/54/148323654.db2.gz ZHXUTPJHIBQPFK-UHFFFAOYSA-N -1 3 293.348 1.601 10 0 CDAEHM Cc1cc(C(=O)N[C@@H]2CCC[C@H](CO)C2)ccc1[O-] ZINC000311375668 149211881 /nfs/dbraw/zinc/21/18/81/149211881.db2.gz VWSIMKQYMHFFPI-WCQYABFASA-N -1 3 263.337 1.982 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1cncn1-c1ccccc1 ZINC000352502574 155232000 /nfs/dbraw/zinc/23/20/00/155232000.db2.gz WHUKRYKOWBZVQH-UHFFFAOYSA-N -1 3 294.314 1.903 10 0 CDAEHM CC(=O)c1ccc(C(=O)NCc2ncccc2[O-])o1 ZINC000352511487 155239598 /nfs/dbraw/zinc/23/95/98/155239598.db2.gz YGUAOUOHYKIGBB-UHFFFAOYSA-N -1 3 260.249 1.513 10 0 CDAEHM NC(=O)Nc1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000352516624 155243302 /nfs/dbraw/zinc/24/33/02/155243302.db2.gz MIBZGLXRBDBGLV-UHFFFAOYSA-N -1 3 286.291 1.208 10 0 CDAEHM COc1cc(C(=O)NCc2ncccc2[O-])ccc1F ZINC000352517687 155245442 /nfs/dbraw/zinc/24/54/42/155245442.db2.gz RDDDXBHXPZPLET-UHFFFAOYSA-N -1 3 276.267 1.865 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@@H](C2CC2)C1 ZINC000335185603 150383679 /nfs/dbraw/zinc/38/36/79/150383679.db2.gz JRQICRPUWJYPRN-CQSZACIVSA-N -1 3 294.326 1.852 10 0 CDAEHM Cc1nc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cs1 ZINC000343033796 152005037 /nfs/dbraw/zinc/00/50/37/152005037.db2.gz KKARTDWKMJAYHB-UHFFFAOYSA-N -1 3 287.300 1.587 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CCC(=O)[C@H](C)C2)c1 ZINC000168770826 286337634 /nfs/dbraw/zinc/33/76/34/286337634.db2.gz JOFWGAXXEHLTIE-SECBINFHSA-N -1 3 263.293 1.452 10 0 CDAEHM Cc1cc(C[N-]S(=O)(=O)c2cccc(N(C)C)c2)on1 ZINC000349326792 154090561 /nfs/dbraw/zinc/09/05/61/154090561.db2.gz UJELVCWPSYCWKH-UHFFFAOYSA-N -1 3 295.364 1.528 10 0 CDAEHM C[C@H]1C[C@H](CNC(=O)NCc2ncccc2[O-])CCO1 ZINC000349823591 154229423 /nfs/dbraw/zinc/22/94/23/154229423.db2.gz VKYGOQCKYQHOLH-WDEREUQCSA-N -1 3 279.340 1.402 10 0 CDAEHM [O-]c1ccc(Cl)cc1-n1cc(C2(F)COC2)nn1 ZINC000656466880 413321307 /nfs/dbraw/zinc/32/13/07/413321307.db2.gz KCUOUQUGADDGIC-UHFFFAOYSA-N -1 3 269.663 1.821 10 0 CDAEHM CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000656484241 413337787 /nfs/dbraw/zinc/33/77/87/413337787.db2.gz OAIPYVSWENOUKZ-AGIUHOORSA-N -1 3 294.395 1.642 10 0 CDAEHM Cn1ccc(CNC(=O)c2c[n-]nc2-c2ccccn2)n1 ZINC000355588236 157130633 /nfs/dbraw/zinc/13/06/33/157130633.db2.gz MBLYBQJCYLHZPO-UHFFFAOYSA-N -1 3 282.307 1.135 10 0 CDAEHM COc1nc(NC(=O)CO[C@H]2CCCC[C@@H]2C)n[n-]1 ZINC000355637557 157159600 /nfs/dbraw/zinc/15/96/00/157159600.db2.gz ZKTZEYIYVSSRIG-IUCAKERBSA-N -1 3 268.317 1.347 10 0 CDAEHM COc1nnc(NC(=O)CO[C@H]2CCCC[C@@H]2C)[n-]1 ZINC000355637557 157159605 /nfs/dbraw/zinc/15/96/05/157159605.db2.gz ZKTZEYIYVSSRIG-IUCAKERBSA-N -1 3 268.317 1.347 10 0 CDAEHM COc1n[n-]c(NC(=O)CO[C@H]2CCCC[C@@H]2C)n1 ZINC000355637557 157159610 /nfs/dbraw/zinc/15/96/10/157159610.db2.gz ZKTZEYIYVSSRIG-IUCAKERBSA-N -1 3 268.317 1.347 10 0 CDAEHM Cc1nc([N-]C(=O)c2cn3ccnc3s2)nn1C ZINC000355804003 157244742 /nfs/dbraw/zinc/24/47/42/157244742.db2.gz WZGWUYTWYWXXLT-UHFFFAOYSA-N -1 3 262.298 1.085 10 0 CDAEHM COc1ccc2c(c1)[n-]cc(C(=O)NCc1c[nH]cn1)c2=O ZINC000359114972 158130368 /nfs/dbraw/zinc/13/03/68/158130368.db2.gz HQBCIGJLSVMJIW-UHFFFAOYSA-N -1 3 298.302 1.190 10 0 CDAEHM COc1ccc2c(c1)[n-]cc(C(=O)NCc1cnc[nH]1)c2=O ZINC000359114972 158130371 /nfs/dbraw/zinc/13/03/71/158130371.db2.gz HQBCIGJLSVMJIW-UHFFFAOYSA-N -1 3 298.302 1.190 10 0 CDAEHM O=S(=O)([N-]CCCCF)c1cncc(F)c1 ZINC000360267638 158508400 /nfs/dbraw/zinc/50/84/00/158508400.db2.gz MZJSOMYQURZPNA-UHFFFAOYSA-N -1 3 250.270 1.249 10 0 CDAEHM CCc1cc(C(=O)NC2CCC(C(N)=O)CC2)ccc1[O-] ZINC000362755151 159230189 /nfs/dbraw/zinc/23/01/89/159230189.db2.gz FJOJXIWDJGXYGS-UHFFFAOYSA-N -1 3 290.363 1.729 10 0 CDAEHM Cc1cn2c(n1)CN(Cc1nc(C)ccc1[O-])CC2 ZINC000374705246 160309426 /nfs/dbraw/zinc/30/94/26/160309426.db2.gz ZRPSDAOMRBIFNS-UHFFFAOYSA-N -1 3 258.325 1.616 10 0 CDAEHM COc1ccc(OC)c([C@H](N)CCCC(=O)[O-])c1 ZINC000020423297 171189870 /nfs/dbraw/zinc/18/98/70/171189870.db2.gz DMYZNPUBQPGWLI-LLVKDONJSA-N -1 3 253.298 1.959 10 0 CDAEHM Nc1cc(F)ccc1S(=O)(=O)[N-]CC(F)(F)F ZINC000021506332 171308134 /nfs/dbraw/zinc/30/81/34/171308134.db2.gz ICEMBGFUTTXTHR-UHFFFAOYSA-N -1 3 272.223 1.249 10 0 CDAEHM Cc1cnn(C)c1C[N-]c1nc(-c2nccn2C)no1 ZINC000284973925 196168310 /nfs/dbraw/zinc/16/83/10/196168310.db2.gz BJACXTZLAIBVMV-UHFFFAOYSA-N -1 3 273.300 1.124 10 0 CDAEHM Cc1cccc(NC(=O)CNCCC(=O)[O-])c1C ZINC000035386462 172168679 /nfs/dbraw/zinc/16/86/79/172168679.db2.gz SFONCQWAOFZLBT-UHFFFAOYSA-N -1 3 250.298 1.306 10 0 CDAEHM CO[C@@H](CN1C[C@@H](C)O[C@@H](C(=O)[O-])C1)C1CCCCC1 ZINC000656756213 413631441 /nfs/dbraw/zinc/63/14/41/413631441.db2.gz IOWZDTSORVSPTH-KWCYVHTRSA-N -1 3 285.384 1.756 10 0 CDAEHM CC(C)OCCN1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000656758265 413636249 /nfs/dbraw/zinc/63/62/49/413636249.db2.gz WPDOZLNXZFSOEC-ZJUUUORDSA-N -1 3 283.290 1.996 10 0 CDAEHM CC(C)[C@@H](CNC(=O)[C@@H](CN)c1ccc(F)cc1)C(=O)[O-] ZINC000656855598 413749638 /nfs/dbraw/zinc/74/96/38/413749638.db2.gz ONFYWNHYCGPISQ-QWHCGFSZSA-N -1 3 296.342 1.341 10 0 CDAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccsc2)c2ncnn21 ZINC000657066926 413897949 /nfs/dbraw/zinc/89/79/49/413897949.db2.gz RLLDJLUFIWDUQY-VXNVDRBHSA-N -1 3 284.366 1.324 10 0 CDAEHM O=C(N[C@@H]1CCCC1(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000655080060 414008965 /nfs/dbraw/zinc/00/89/65/414008965.db2.gz LTFZDBLIYYSYHL-SECBINFHSA-N -1 3 283.278 1.977 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](C)O1 ZINC000657157474 413982504 /nfs/dbraw/zinc/98/25/04/413982504.db2.gz UFBIWVZWKVLVKJ-KWQFWETISA-N -1 3 288.369 1.527 10 0 CDAEHM O=C([O-])[C@]1(N2CCOCC2)CCc2ccccc2C1 ZINC000037515853 173247744 /nfs/dbraw/zinc/24/77/44/173247744.db2.gz KVUGDBATMVHNDE-HNNXBMFYSA-N -1 3 261.321 1.331 10 0 CDAEHM CCC(CC)N1C(=O)C[C@@H](N(CC)CCC(=O)[O-])C1=O ZINC000038024202 174006714 /nfs/dbraw/zinc/00/67/14/174006714.db2.gz DCAUDKVUUNYAQI-LLVKDONJSA-N -1 3 284.356 1.099 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000040470817 174279264 /nfs/dbraw/zinc/27/92/64/174279264.db2.gz MXOSWNJPSOBOLW-ZMLRMANQSA-N -1 3 264.325 1.302 10 0 CDAEHM CCC[C@@H](N)C(=O)N(CCC(=O)[O-])c1ccccc1C ZINC000040483959 174287823 /nfs/dbraw/zinc/28/78/23/174287823.db2.gz WWONZKYKGTWCTC-GFCCVEGCSA-N -1 3 278.352 1.930 10 0 CDAEHM CCC[C@@](C)(N)C(=O)N(CCC(=O)[O-])C(C)(C)C ZINC000040484527 174288099 /nfs/dbraw/zinc/28/80/99/174288099.db2.gz HJDBGAGFCRSYGU-CYBMUJFWSA-N -1 3 258.362 1.606 10 0 CDAEHM CN1CCCN(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)CC1 ZINC000040521143 174310332 /nfs/dbraw/zinc/31/03/32/174310332.db2.gz ZTWAXCBPZOPGDP-ZDUSSCGKSA-N -1 3 297.399 1.367 10 0 CDAEHM CCC[C@H](NC(=O)NC[C@H]1CCCN1CC)C(=O)[O-] ZINC000040552863 174329648 /nfs/dbraw/zinc/32/96/48/174329648.db2.gz IXYHYEMFOGENJQ-MNOVXSKESA-N -1 3 271.361 1.023 10 0 CDAEHM CCC[C@](C)(NC(=O)NC1CCN(C)CC1)C(=O)[O-] ZINC000040573731 174339753 /nfs/dbraw/zinc/33/97/53/174339753.db2.gz VZQGQJPHYKUFQJ-ZDUSSCGKSA-N -1 3 271.361 1.023 10 0 CDAEHM CN1CCC[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC000040673280 174372386 /nfs/dbraw/zinc/37/23/86/174372386.db2.gz USXYZHUCUIAWHH-UTUOFQBUSA-N -1 3 268.357 1.088 10 0 CDAEHM CN1CCC[C@H](NC(=O)Nc2cc(F)ccc2C(=O)[O-])C1 ZINC000040716372 174383373 /nfs/dbraw/zinc/38/33/73/174383373.db2.gz YFFSSZKODBWXDE-JTQLQIEISA-N -1 3 295.314 1.740 10 0 CDAEHM CCC[C@@H](N)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000043594680 175075657 /nfs/dbraw/zinc/07/56/57/175075657.db2.gz AKRWNNSRXUKZDH-OLZOCXBDSA-N -1 3 276.336 1.324 10 0 CDAEHM O=C([O-])/C=C/c1ccc(CN2CCC[C@H](O)C2)s1 ZINC000043684776 175093247 /nfs/dbraw/zinc/09/32/47/175093247.db2.gz RSFUIEUIUQOQRG-PORFMDCZSA-N -1 3 267.350 1.803 10 0 CDAEHM CCc1nnc(SCC(=O)[O-])n1C[C@@H]1CCCCN1C ZINC000044563465 175206564 /nfs/dbraw/zinc/20/65/64/175206564.db2.gz YTBZGHWZEUKJSJ-JTQLQIEISA-N -1 3 298.412 1.502 10 0 CDAEHM CC(C)[C@@](C)(CC(=O)NC[C@H]1CCCCN1C)C(=O)[O-] ZINC000044563994 175207271 /nfs/dbraw/zinc/20/72/71/175207271.db2.gz YTYIJHDJSZUNAU-IUODEOHRSA-N -1 3 284.400 1.724 10 0 CDAEHM CN1CCCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000044565596 175208244 /nfs/dbraw/zinc/20/82/44/175208244.db2.gz IPKLVPWWSFRCDQ-LBPRGKRZSA-N -1 3 297.399 1.557 10 0 CDAEHM CCC[C@H](N)C(=O)N1CCc2sccc2[C@H]1C(=O)[O-] ZINC000044592623 175213733 /nfs/dbraw/zinc/21/37/33/175213733.db2.gz CROOTXFGCYSZER-ONGXEEELSA-N -1 3 282.365 1.386 10 0 CDAEHM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044692900 175233966 /nfs/dbraw/zinc/23/39/66/175233966.db2.gz ONUJMUCPWAPIJF-RTXFEEFZSA-N -1 3 278.352 1.006 10 0 CDAEHM O=C(CC1(C(=O)[O-])CCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000044692940 175233972 /nfs/dbraw/zinc/23/39/72/175233972.db2.gz VZAIKGYIOBGGMB-LLVKDONJSA-N -1 3 280.368 1.374 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N(C)[C@@H](C)C(N)=S)c1 ZINC000045146298 175316312 /nfs/dbraw/zinc/31/63/12/175316312.db2.gz LQQCTJLTUZYXCD-QMMMGPOBSA-N -1 3 252.339 1.447 10 0 CDAEHM C[C@@H](N)c1csc([N-]S(=O)(=O)C(C)(C)C)n1 ZINC000070885498 176010042 /nfs/dbraw/zinc/01/00/42/176010042.db2.gz UMDPIQDRGPQYRM-ZCFIWIBFSA-N -1 3 263.388 1.703 10 0 CDAEHM Cc1cccc(NC(=O)N[C@H]2CCCN(C)C2)c1C(=O)[O-] ZINC000071171966 176051816 /nfs/dbraw/zinc/05/18/16/176051816.db2.gz FOOADKXORRLZOR-NSHDSACASA-N -1 3 291.351 1.909 10 0 CDAEHM C[C@@H](CN1CCCCC1)Nc1cnc(C(=O)[O-])cn1 ZINC000071181861 176057399 /nfs/dbraw/zinc/05/73/99/176057399.db2.gz VUMUXZNGFIIHLB-JTQLQIEISA-N -1 3 264.329 1.461 10 0 CDAEHM CN[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1Cl ZINC000071392060 176148840 /nfs/dbraw/zinc/14/88/40/176148840.db2.gz KAWYFBQDRUALRP-ZCFIWIBFSA-N -1 3 256.689 1.585 10 0 CDAEHM Cc1cc(CC[N-]S(=O)(=O)c2c(C)noc2C)on1 ZINC000077123149 177227013 /nfs/dbraw/zinc/22/70/13/177227013.db2.gz KGQIXNQRRKZPMG-UHFFFAOYSA-N -1 3 285.325 1.109 10 0 CDAEHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cscn1 ZINC000651851472 423810521 /nfs/dbraw/zinc/81/05/21/423810521.db2.gz WNIIXPNAKIHZHN-RKDXNWHRSA-N -1 3 276.383 1.379 10 0 CDAEHM C[C@H](NC(=O)c1c[n-]nn1)c1cc(F)ccc1F ZINC000048891226 424325938 /nfs/dbraw/zinc/32/59/38/424325938.db2.gz MVBQLFNBUYZLSG-LURJTMIESA-N -1 3 252.224 1.574 10 0 CDAEHM C[C@H](NC(=O)c1cnn[n-]1)c1cc(F)ccc1F ZINC000048891226 424325941 /nfs/dbraw/zinc/32/59/41/424325941.db2.gz MVBQLFNBUYZLSG-LURJTMIESA-N -1 3 252.224 1.574 10 0 CDAEHM C[C@H](NC(=O)c1cn[n-]n1)c1cc(F)ccc1F ZINC000048891226 424325945 /nfs/dbraw/zinc/32/59/45/424325945.db2.gz MVBQLFNBUYZLSG-LURJTMIESA-N -1 3 252.224 1.574 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1ccco1)[C@@H]1CCCCO1 ZINC000655666340 424332334 /nfs/dbraw/zinc/33/23/34/424332334.db2.gz MPHURZOSVUSPRD-QWRGUYRKSA-N -1 3 273.354 1.906 10 0 CDAEHM CCc1ccc(C(=O)N[C@@H]2CCNC(=O)CC2)c([O-])c1 ZINC000665659399 424337236 /nfs/dbraw/zinc/33/72/36/424337236.db2.gz NLGOGDSKGIPDLQ-NSHDSACASA-N -1 3 276.336 1.353 10 0 CDAEHM C[C@@H]1CCC[C@H]1CC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000651977560 424577346 /nfs/dbraw/zinc/57/73/46/424577346.db2.gz QBYHVTWUSGTDSB-WOPDTQHZSA-N -1 3 291.399 1.717 10 0 CDAEHM O=C(NCC[C@@H]1CCCOC1)c1cccc2nn[n-]c21 ZINC000529596888 271000344 /nfs/dbraw/zinc/00/03/44/271000344.db2.gz DYAQYDDYMAGMFF-JTQLQIEISA-N -1 3 274.324 1.504 10 0 CDAEHM O=C(NCC[C@@H]1CCCOC1)c1cccc2[n-]nnc21 ZINC000529596888 271000346 /nfs/dbraw/zinc/00/03/46/271000346.db2.gz DYAQYDDYMAGMFF-JTQLQIEISA-N -1 3 274.324 1.504 10 0 CDAEHM O=C(NCC[C@@H]1CCCOC1)c1cccc2n[n-]nc21 ZINC000529596888 271000347 /nfs/dbraw/zinc/00/03/47/271000347.db2.gz DYAQYDDYMAGMFF-JTQLQIEISA-N -1 3 274.324 1.504 10 0 CDAEHM CO[C@H](CN1CCc2occc2[C@@H]1C(=O)[O-])C1CC1 ZINC000530164265 271120123 /nfs/dbraw/zinc/12/01/23/271120123.db2.gz JJTHAYYRENEFOG-CHWSQXEVSA-N -1 3 265.309 1.688 10 0 CDAEHM CCOC(=O)C1=C([O-])COc2ccccc2S1 ZINC000100181220 276295157 /nfs/dbraw/zinc/29/51/57/276295157.db2.gz FFXPCOKTAWUPMR-NSHDSACASA-N -1 3 252.291 1.672 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2C[C@@H]2C2CC2)n[n-]1 ZINC000119784283 279371155 /nfs/dbraw/zinc/37/11/55/279371155.db2.gz XSSKPEIVUCBPIB-NXEZZACHSA-N -1 3 271.324 1.795 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2C[C@@H]2C2CC2)[n-]n1 ZINC000119784283 279371158 /nfs/dbraw/zinc/37/11/58/279371158.db2.gz XSSKPEIVUCBPIB-NXEZZACHSA-N -1 3 271.324 1.795 10 0 CDAEHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1CCCOCC1 ZINC000373293979 280053870 /nfs/dbraw/zinc/05/38/70/280053870.db2.gz WFLJUCIQABPZMI-SNVBAGLBSA-N -1 3 287.323 1.622 10 0 CDAEHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1CCCOCC1 ZINC000373293979 280053876 /nfs/dbraw/zinc/05/38/76/280053876.db2.gz WFLJUCIQABPZMI-SNVBAGLBSA-N -1 3 287.323 1.622 10 0 CDAEHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1CCCOCC1 ZINC000373293979 280053880 /nfs/dbraw/zinc/05/38/80/280053880.db2.gz WFLJUCIQABPZMI-SNVBAGLBSA-N -1 3 287.323 1.622 10 0 CDAEHM CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC000246301141 280271012 /nfs/dbraw/zinc/27/10/12/280271012.db2.gz DBTVEQIDYLDOBT-ZWNOBZJWSA-N -1 3 280.343 1.990 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H]3C[C@@H]3C2)nc1C ZINC000528448359 281233362 /nfs/dbraw/zinc/23/33/62/281233362.db2.gz IGPFOUNQVOLWDE-UPJWGTAASA-N -1 3 297.424 1.926 10 0 CDAEHM O=C(N=c1[n-]ncs1)NC[C@@H]1CCN1C1CCCC1 ZINC000528850606 281296961 /nfs/dbraw/zinc/29/69/61/281296961.db2.gz LOKNIJMHFHKUJH-JTQLQIEISA-N -1 3 281.385 1.098 10 0 CDAEHM O=C([N-]OC[C@H]1CCOC1)c1cccc2cc(=O)[nH]cc21 ZINC000529134756 281330369 /nfs/dbraw/zinc/33/03/69/281330369.db2.gz GQWCNUCKURJFBI-JTQLQIEISA-N -1 3 288.303 1.638 10 0 CDAEHM CC[C@H]1CO[C@H](C)CN1S(=O)(=O)c1ccc([O-])cc1 ZINC000048916737 288334301 /nfs/dbraw/zinc/33/43/01/288334301.db2.gz XUDILVWEQJTBFX-MNOVXSKESA-N -1 3 285.365 1.580 10 0 CDAEHM CCc1cccc(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)c1[O-] ZINC000532266557 281945875 /nfs/dbraw/zinc/94/58/75/281945875.db2.gz 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ZINC000095138807 534520931 /nfs/dbraw/zinc/52/09/31/534520931.db2.gz IRKRMTIBZSCOAQ-UHFFFAOYSA-N -1 3 259.313 1.775 10 0 CDAEHM CC(C)(C)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000095138807 534520937 /nfs/dbraw/zinc/52/09/37/534520937.db2.gz IRKRMTIBZSCOAQ-UHFFFAOYSA-N -1 3 259.313 1.775 10 0 CDAEHM CCN(C[C@@H](C)C(=O)[O-])C(=O)N[C@@H]1CCCN(CC)C1 ZINC000061225411 521194315 /nfs/dbraw/zinc/19/43/15/521194315.db2.gz XKYPELICXYWITJ-VXGBXAGGSA-N -1 3 285.388 1.223 10 0 CDAEHM CCN(Cc1cc(C(N)=O)ccc1F)[C@H](C)CC(=O)[O-] ZINC000061183264 521285271 /nfs/dbraw/zinc/28/52/71/521285271.db2.gz NCBAAQMARYMZFS-SECBINFHSA-N -1 3 282.315 1.610 10 0 CDAEHM CCCN(CC(=O)[O-])C(=O)N[C@H](C)CN1CCCCC1 ZINC000049502814 521558190 /nfs/dbraw/zinc/55/81/90/521558190.db2.gz ISJZSCUGQXROSL-GFCCVEGCSA-N -1 3 285.388 1.367 10 0 CDAEHM CCOC(CN1CCC(c2n[nH]c(=O)[n-]2)CC1)OCC ZINC000366711804 521630745 /nfs/dbraw/zinc/63/07/45/521630745.db2.gz GUBALOCDKOCPER-UHFFFAOYSA-N -1 3 284.360 1.089 10 0 CDAEHM CCN1CCC[C@H](Nc2nnc(C)c(C)c2C(=O)[O-])C1 ZINC000054529685 521650759 /nfs/dbraw/zinc/65/07/59/521650759.db2.gz PCURZQRIBHRTIZ-NSHDSACASA-N -1 3 278.356 1.688 10 0 CDAEHM CCC1(C(=O)[O-])CCN(CC(=O)N2CCC[C@@H](C)C2)CC1 ZINC000062846755 521675129 /nfs/dbraw/zinc/67/51/29/521675129.db2.gz RAEZIBRQTDEJAP-CYBMUJFWSA-N -1 3 296.411 1.822 10 0 CDAEHM CCN1CCN(C[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000062749806 521684782 /nfs/dbraw/zinc/68/47/82/521684782.db2.gz GOFISWPSGXEJOO-CQSZACIVSA-N -1 3 262.353 1.492 10 0 CDAEHM COCCN(C)CCNc1ccc(C(=O)[O-])cc1 ZINC000061399575 523614430 /nfs/dbraw/zinc/61/44/30/523614430.db2.gz FWDKNUVBOMLDKW-UHFFFAOYSA-N -1 3 252.314 1.375 10 0 CDAEHM CN1CCN(c2cc(N)ccc2C(=O)[O-])CC1(C)C ZINC000069515312 523923982 /nfs/dbraw/zinc/92/39/82/523923982.db2.gz FBHWWPOCDRJUKU-UHFFFAOYSA-N -1 3 263.341 1.497 10 0 CDAEHM C[C@@H]1CCCN(C(=O)N2CCCN(CC(=O)[O-])CC2)[C@@H]1C ZINC000061146371 524197198 /nfs/dbraw/zinc/19/71/98/524197198.db2.gz GOYIYWTVNQGTLE-CHWSQXEVSA-N -1 3 297.399 1.319 10 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296.352 1.299 10 0 CDAEHM CCc1coc([N-]C(=O)c2nnn(C(C)(C)C)n2)n1 ZINC000621994864 350922876 /nfs/dbraw/zinc/92/28/76/350922876.db2.gz LBTRVSIXKVNDNI-UHFFFAOYSA-N -1 3 264.289 1.231 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)c2nccc(C)n2)c1 ZINC000622041803 350948314 /nfs/dbraw/zinc/94/83/14/350948314.db2.gz JQKIENHHKHFTGT-JTQLQIEISA-N -1 3 295.368 1.041 10 0 CDAEHM COC[C@@H](CNC(=O)c1ccc2c(c1[O-])CCCC2)OC ZINC000273498226 192177108 /nfs/dbraw/zinc/17/71/08/192177108.db2.gz PWUABCIVPVSORN-GFCCVEGCSA-N -1 3 293.363 1.662 10 0 CDAEHM COc1nnc(NC(=O)[C@H](C)Oc2ccccc2Cl)[n-]1 ZINC000158208026 188363562 /nfs/dbraw/zinc/36/35/62/188363562.db2.gz XYJNBVNROZLQPE-ZETCQYMHSA-N -1 3 296.714 1.873 10 0 CDAEHM COc1nc(NC(=O)[C@H](C)Oc2ccccc2Cl)n[n-]1 ZINC000158208026 188363564 /nfs/dbraw/zinc/36/35/64/188363564.db2.gz XYJNBVNROZLQPE-ZETCQYMHSA-N -1 3 296.714 1.873 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H](C)Oc2ccccc2Cl)n1 ZINC000158208026 188363565 /nfs/dbraw/zinc/36/35/65/188363565.db2.gz 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CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000188543677 357909900 /nfs/dbraw/zinc/90/99/00/357909900.db2.gz HAVUQTPMGNIVOM-POYBYMJQSA-N -1 3 295.792 1.084 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1CCC([C@@H](C)O)CC1 ZINC000625716402 358010927 /nfs/dbraw/zinc/01/09/27/358010927.db2.gz OCJFXYWEXBNTCJ-LLVKDONJSA-N -1 3 263.337 1.934 10 0 CDAEHM CCSCCC[N-]S(=O)(=O)c1cscn1 ZINC000564907893 358020281 /nfs/dbraw/zinc/02/02/81/358020281.db2.gz ONDHTXRRCCJOPR-UHFFFAOYSA-N -1 3 266.413 1.565 10 0 CDAEHM Cc1cnc(C(=O)N2CCN(CC3CC3)CC2)c([O-])c1 ZINC000408224237 358443713 /nfs/dbraw/zinc/44/37/13/358443713.db2.gz NYJPUDPSYBVPOF-UHFFFAOYSA-N -1 3 275.352 1.263 10 0 CDAEHM COC(=O)C[C@H]1CSCCN1Cc1nc(C)ccc1[O-] ZINC000093610520 358617478 /nfs/dbraw/zinc/61/74/78/358617478.db2.gz UJKCDRDCGHFENG-NSHDSACASA-N -1 3 296.392 1.576 10 0 CDAEHM O=C(NCC1(CO)CCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000345785730 358887162 /nfs/dbraw/zinc/88/71/62/358887162.db2.gz MLUWACHLWSDWMW-UHFFFAOYSA-N -1 3 286.331 1.421 10 0 CDAEHM COc1cccc(C(=O)NCCOC[C@@H]2CCCO2)c1[O-] ZINC000604604758 359153311 /nfs/dbraw/zinc/15/33/11/359153311.db2.gz VROLAJVJMRMKQI-NSHDSACASA-N -1 3 295.335 1.326 10 0 CDAEHM CC(=O)c1[n-]c(=N[C@H]2CCOC[C@@H]2C)sc1C ZINC000560212850 359390604 /nfs/dbraw/zinc/39/06/04/359390604.db2.gz ARRUVEJJXGJVLJ-XVKPBYJWSA-N -1 3 254.355 1.913 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCS[C@@H](C)C2)n1 ZINC000119939503 359465185 /nfs/dbraw/zinc/46/51/85/359465185.db2.gz LVVLQNMFWMZHNS-VIFPVBQESA-N -1 3 253.371 1.682 10 0 CDAEHM O=C(NCC1(CCO)CC1)c1c[n-]c2ccccc2c1=O ZINC000157697672 237108800 /nfs/dbraw/zinc/10/88/00/237108800.db2.gz NDDYSMKSZKKWPS-UHFFFAOYSA-N -1 3 286.331 1.421 10 0 CDAEHM CC1(C)COC[C@@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000560466639 359634943 /nfs/dbraw/zinc/63/49/43/359634943.db2.gz IZIXRQJNLVTOBW-JTQLQIEISA-N -1 3 260.297 1.113 10 0 CDAEHM CC1(C)COC[C@@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000560466639 359634950 /nfs/dbraw/zinc/63/49/50/359634950.db2.gz IZIXRQJNLVTOBW-JTQLQIEISA-N -1 3 260.297 1.113 10 0 CDAEHM 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CDAEHM O=C([N-]c1ccn2nccc2n1)c1c(F)ccnc1F ZINC001611161902 1165484580 /nfs/dbraw/zinc/48/45/80/1165484580.db2.gz POJRWRBYKRTUDH-UHFFFAOYSA-N -1 3 275.218 1.655 10 0 CDAEHM Cn1cnc(/C=C\C(=O)Nc2cccc([O-])c2F)c1 ZINC001623168655 1165750763 /nfs/dbraw/zinc/75/07/63/1165750763.db2.gz QWYMDHWZAXCGLG-WAYWQWQTSA-N -1 3 261.256 1.917 10 0 CDAEHM CCCCCCO[C@@H](C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001627152337 1165980625 /nfs/dbraw/zinc/98/06/25/1165980625.db2.gz FEOZYOWQTBUOKH-STQMWFEESA-N -1 3 297.399 1.600 10 0 CDAEHM COc1nnc(NC(=O)c2cn(C)nc2-c2ccco2)[n-]1 ZINC001636377303 1166672505 /nfs/dbraw/zinc/67/25/05/1166672505.db2.gz VBDSGKSBAMJZRP-UHFFFAOYSA-N -1 3 288.267 1.059 10 0 CDAEHM COc1nc(NC(=O)c2cn(C)nc2-c2ccco2)n[n-]1 ZINC001636377303 1166672510 /nfs/dbraw/zinc/67/25/10/1166672510.db2.gz VBDSGKSBAMJZRP-UHFFFAOYSA-N -1 3 288.267 1.059 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cn(C)nc2-c2ccco2)n1 ZINC001636377303 1166672515 /nfs/dbraw/zinc/67/25/15/1166672515.db2.gz VBDSGKSBAMJZRP-UHFFFAOYSA-N -1 3 288.267 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CC(C)CCN(CCC(C)C)C(=O)[C@H](N)CC(=O)[O-] ZINC000085815757 179179625 /nfs/dbraw/zinc/17/96/25/179179625.db2.gz GKIYTGYMSIPTIM-GFCCVEGCSA-N -1 3 272.389 1.709 10 0 CDAEHM Cc1ccc([C@@H](C)N(C)C(=O)[C@@H](N)CC(=O)[O-])s1 ZINC000085816525 179180236 /nfs/dbraw/zinc/18/02/36/179180236.db2.gz GWFRADKJWCJXAJ-BDAKNGLRSA-N -1 3 270.354 1.378 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCc2nc[nH]c2C1 ZINC000612630103 347233361 /nfs/dbraw/zinc/23/33/61/347233361.db2.gz DAHLZQBGQDVEPN-JTQLQIEISA-N -1 3 289.310 1.676 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCc2[nH]cnc2C1 ZINC000612630103 347233363 /nfs/dbraw/zinc/23/33/63/347233363.db2.gz DAHLZQBGQDVEPN-JTQLQIEISA-N -1 3 289.310 1.676 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)c1cnc2n1CCOC2 ZINC000612631746 347234156 /nfs/dbraw/zinc/23/41/56/347234156.db2.gz IAAAEMDHNPWQBX-UHFFFAOYSA-N -1 3 291.282 1.188 10 0 CDAEHM COc1nc(NC(=O)[C@]2(C)CC=C(C)CC2)n[n-]1 ZINC000613195202 347461604 /nfs/dbraw/zinc/46/16/04/347461604.db2.gz CYZRXCQPEIBTIQ-GFCCVEGCSA-N -1 3 250.302 1.888 10 0 CDAEHM COc1nnc(NC(=O)[C@]2(C)CC=C(C)CC2)[n-]1 ZINC000613195202 347461606 /nfs/dbraw/zinc/46/16/06/347461606.db2.gz CYZRXCQPEIBTIQ-GFCCVEGCSA-N -1 3 250.302 1.888 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@]2(C)CC=C(C)CC2)n1 ZINC000613195202 347461609 /nfs/dbraw/zinc/46/16/09/347461609.db2.gz CYZRXCQPEIBTIQ-GFCCVEGCSA-N -1 3 250.302 1.888 10 0 CDAEHM COC(=O)[C@H](NC(=O)c1csc(=O)[n-]1)C(C)(C)C ZINC000613638709 347806511 /nfs/dbraw/zinc/80/65/11/347806511.db2.gz PEKJVQINPUOKSK-ZETCQYMHSA-N -1 3 272.326 1.166 10 0 CDAEHM C[C@@H]1C[C@H](N(C)C(=O)c2ncccc2[O-])CCN1C ZINC000275099939 365920281 /nfs/dbraw/zinc/92/02/81/365920281.db2.gz CWHXPBUUSJMVCB-GHMZBOCLSA-N -1 3 263.341 1.342 10 0 CDAEHM Cc1nc(C2CC2)oc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000275165650 365947766 /nfs/dbraw/zinc/94/77/66/365947766.db2.gz RFABCZIBYWPVTG-UHFFFAOYSA-N -1 3 290.279 1.622 10 0 CDAEHM CC1(C)OC[C@H]2C[C@]21C(=O)NCc1ncccc1[O-] ZINC000614255276 348059245 /nfs/dbraw/zinc/05/92/45/348059245.db2.gz 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/nfs/dbraw/zinc/25/41/52/349254152.db2.gz UOEAEKKZMGXTNV-ZDUSSCGKSA-N -1 3 274.320 1.982 10 0 CDAEHM CC(C)[C@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)CCN1 ZINC000621149717 350456285 /nfs/dbraw/zinc/45/62/85/350456285.db2.gz OPKZYSVCAQTGBN-OAHLLOKOSA-N -1 3 299.374 1.598 10 0 CDAEHM C[C@@H](O)CCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621920790 350859733 /nfs/dbraw/zinc/85/97/33/350859733.db2.gz ODJZFFRBDKBSRO-SSDOTTSWSA-N -1 3 277.242 1.912 10 0 CDAEHM O=C(c1cc(F)c[n-]c1=O)N1CC2(C1)CC(F)(F)C2 ZINC000621926535 350863630 /nfs/dbraw/zinc/86/36/30/350863630.db2.gz LXZGQACYOZUIQP-UHFFFAOYSA-N -1 3 272.226 1.798 10 0 CDAEHM O=C(NCC1(CO)CC2(CCC2)C1)c1cc(F)c[n-]c1=O ZINC000621978931 350909711 /nfs/dbraw/zinc/90/97/11/350909711.db2.gz HMBOYHAWSKRFOZ-UHFFFAOYSA-N -1 3 294.326 1.599 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C[C@@H]1O ZINC000621939775 350874951 /nfs/dbraw/zinc/87/49/51/350874951.db2.gz PMMWFAKRCJYMGS-HQJQHLMTSA-N -1 3 289.253 1.864 10 0 CDAEHM 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ZINC000256030352 357588474 /nfs/dbraw/zinc/58/84/74/357588474.db2.gz NEISKKMPYCNPNY-ZCFIWIBFSA-N -1 3 253.689 1.374 10 0 CDAEHM CCN(CC(=O)[N-]OCc1ccc(F)cc1)C1CC1 ZINC000186447246 357649323 /nfs/dbraw/zinc/64/93/23/357649323.db2.gz VVWAICPORZSFKH-UHFFFAOYSA-N -1 3 266.316 1.858 10 0 CDAEHM CC1=CCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CC1 ZINC000407987623 357721097 /nfs/dbraw/zinc/72/10/97/357721097.db2.gz DNKXWXQDYAQRQM-UHFFFAOYSA-N -1 3 262.313 1.040 10 0 CDAEHM O=S(=O)([N-]CC[C@@H]1CCCOC1)c1cscn1 ZINC000528452925 357846461 /nfs/dbraw/zinc/84/64/61/357846461.db2.gz XSCTVQIOMFVLEK-VIFPVBQESA-N -1 3 276.383 1.238 10 0 CDAEHM O=C(Cc1cccc(O)c1)[N-]OC[C@H]1CCOC1 ZINC000188334694 357880656 /nfs/dbraw/zinc/88/06/56/357880656.db2.gz GVSWMHNGXFVVAZ-NSHDSACASA-N -1 3 251.282 1.019 10 0 CDAEHM C/C=C\C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000625560773 357890220 /nfs/dbraw/zinc/89/02/20/357890220.db2.gz NBUATLLFVVBERS-ARJAWSKDSA-N -1 3 288.394 1.239 10 0 CDAEHM C[C@H]1CCCCN1CC[N-]S(=O)(=O)c1ccco1 ZINC000188602959 357916022 /nfs/dbraw/zinc/91/60/22/357916022.db2.gz ZUEDIGXMNLQZCV-NSHDSACASA-N -1 3 272.370 1.432 10 0 CDAEHM COC(=O)[C@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000082265494 358153775 /nfs/dbraw/zinc/15/37/75/358153775.db2.gz PDXCYWAUOSKDOR-NSHDSACASA-N -1 3 263.293 1.417 10 0 CDAEHM COC(=O)CC1([N-]S(=O)(=O)c2ccco2)CCCC1 ZINC000193018122 358258458 /nfs/dbraw/zinc/25/84/58/358258458.db2.gz KDEBECVCNLNFET-UHFFFAOYSA-N -1 3 287.337 1.434 10 0 CDAEHM N=c1nc(N2CCN(CC[C@@H]3CCCCO3)CC2)s[n-]1 ZINC000408195108 358360269 /nfs/dbraw/zinc/36/02/69/358360269.db2.gz KYOAJSRZIALYSC-NSHDSACASA-N -1 3 297.428 1.032 10 0 CDAEHM C[C@@]12CN(c3nc4nncc-4c(O)[n-]3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000518691153 358554153 /nfs/dbraw/zinc/55/41/53/358554153.db2.gz PBYQRZRXKNGTML-KWCXZLOBSA-N -1 3 283.335 1.707 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@H]2CCCN(C)C2)c1 ZINC000042273276 358929600 /nfs/dbraw/zinc/92/96/00/358929600.db2.gz BVYVERAZNLCEEF-JTQLQIEISA-N -1 3 264.325 1.225 10 0 CDAEHM Cc1cccc(C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c1[O-] ZINC000042439107 358944686 /nfs/dbraw/zinc/94/46/86/358944686.db2.gz CCBPMMOZPKGENV-MNOVXSKESA-N -1 3 276.336 1.427 10 0 CDAEHM O=C(NCc1cnn2ccccc12)NCc1ncccc1[O-] ZINC000347274631 359268421 /nfs/dbraw/zinc/26/84/21/359268421.db2.gz PYCWOUJKASDHCB-UHFFFAOYSA-N -1 3 297.318 1.434 10 0 CDAEHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cscn1 ZINC000580438527 359618479 /nfs/dbraw/zinc/61/84/79/359618479.db2.gz QEWFWUNYWGBQKC-RKDXNWHRSA-N -1 3 278.399 1.219 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1CCc2nccnc2C1 ZINC000628144968 359796449 /nfs/dbraw/zinc/79/64/49/359796449.db2.gz ZFRRFUJLQBGDNR-UHFFFAOYSA-N -1 3 269.304 1.689 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000628138311 359764796 /nfs/dbraw/zinc/76/47/96/359764796.db2.gz FKNYGPAFJUXFII-NWDGAFQWSA-N -1 3 261.321 1.809 10 0 CDAEHM COc1coc(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1=O ZINC000424272041 359986164 /nfs/dbraw/zinc/98/61/64/359986164.db2.gz QBQYJWYBFINJPA-TVQRCGJNSA-N -1 3 281.308 1.334 10 0 CDAEHM C[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632302534 360041069 /nfs/dbraw/zinc/04/10/69/360041069.db2.gz JPXJLLSFHRQTFM-YUMQZZPRSA-N -1 3 276.383 1.563 10 0 CDAEHM COCCCn1nccc1CN1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000424411412 360043124 /nfs/dbraw/zinc/04/31/24/360043124.db2.gz AWYYOWHTYPZHHF-JSGCOSHPSA-N -1 3 295.383 1.605 10 0 CDAEHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)nc(C)n1 ZINC000348403359 360055443 /nfs/dbraw/zinc/05/54/43/360055443.db2.gz DOJBTRDRRNEOPT-UHFFFAOYSA-N -1 3 295.306 1.526 10 0 CDAEHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)nc(C)n1 ZINC000348403359 360055445 /nfs/dbraw/zinc/05/54/45/360055445.db2.gz DOJBTRDRRNEOPT-UHFFFAOYSA-N -1 3 295.306 1.526 10 0 CDAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCCOC2)s1 ZINC000176906975 189014305 /nfs/dbraw/zinc/01/43/05/189014305.db2.gz KXDQCUFYTOARQQ-SECBINFHSA-N -1 3 276.383 1.217 10 0 CDAEHM COc1ccccc1[C@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000337513137 360201474 /nfs/dbraw/zinc/20/14/74/360201474.db2.gz 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/nfs/dbraw/zinc/85/38/91/360853891.db2.gz NVNAVEJRYZVSJU-UBHSHLNASA-N -1 3 275.348 1.798 10 0 CDAEHM CC(C)OCCCN(C)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000338802374 361044474 /nfs/dbraw/zinc/04/44/74/361044474.db2.gz WTSLUMWGYMTEDY-UHFFFAOYSA-N -1 3 296.371 1.135 10 0 CDAEHM CC(=O)[N-]O[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000180803532 189276328 /nfs/dbraw/zinc/27/63/28/189276328.db2.gz KBTYGEIJABERSF-UWVGGRQHSA-N -1 3 250.298 1.320 10 0 CDAEHM CC(C)[C@H]([N-]S(=O)(=O)c1cncc(F)c1)C1CC1 ZINC000660045790 412717099 /nfs/dbraw/zinc/71/70/99/412717099.db2.gz HNWGGULFUMRJTC-LBPRGKRZSA-N -1 3 272.345 1.934 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-][C@H]2CCOC[C@H]2C)s1 ZINC000278039724 366735170 /nfs/dbraw/zinc/73/51/70/366735170.db2.gz XLDBHXOMAGMNBG-APPZFPTMSA-N -1 3 276.383 1.155 10 0 CDAEHM Cc1nc2ccc(C(=O)NCc3ncccc3[O-])cc2n1C ZINC000357154038 366796361 /nfs/dbraw/zinc/79/63/61/366796361.db2.gz OHLDNTKMAHHNHO-UHFFFAOYSA-N -1 3 296.330 1.912 10 0 CDAEHM O=C(c1ccccc1[O-])N1C[C@@H]2CCC[C@]2(CO)C1 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Cc1cc(C(=O)NC[C@@H](C)N2CCCCC2=O)ccc1[O-] ZINC000436994926 361633959 /nfs/dbraw/zinc/63/39/59/361633959.db2.gz PBWZSLYLTMVWJJ-GFCCVEGCSA-N -1 3 290.363 1.831 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2CC(=O)N(C)[C@H](C)C2)c1 ZINC000282084641 239115755 /nfs/dbraw/zinc/11/57/55/239115755.db2.gz CUDFURMUPQPRII-SNVBAGLBSA-N -1 3 262.309 1.003 10 0 CDAEHM O=C(c1c([O-])cccc1O)N1CCO[C@@H](CCF)C1 ZINC000630025467 364441513 /nfs/dbraw/zinc/44/15/13/364441513.db2.gz QQAFVQCRUCOMMI-VIFPVBQESA-N -1 3 269.272 1.298 10 0 CDAEHM CCc1cnc(S(=O)(=O)Cc2ncc(C3CC3)o2)[n-]1 ZINC000270448423 364605568 /nfs/dbraw/zinc/60/55/68/364605568.db2.gz HZJFXUGTZXLFPE-UHFFFAOYSA-N -1 3 281.337 1.811 10 0 CDAEHM CCc1c[n-]c(S(=O)(=O)Cc2ncc(C3CC3)o2)n1 ZINC000270448423 364605577 /nfs/dbraw/zinc/60/55/77/364605577.db2.gz HZJFXUGTZXLFPE-UHFFFAOYSA-N -1 3 281.337 1.811 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CCCOCC(C)C)c1 ZINC000353280158 364606917 /nfs/dbraw/zinc/60/69/17/364606917.db2.gz UPFFTLSDSOVUPH-UHFFFAOYSA-N -1 3 289.401 1.244 10 0 CDAEHM C[C@H]1c2ccccc2O[C@H]1C(=O)[N-]C1=NCCS1 ZINC000172028938 291322057 /nfs/dbraw/zinc/32/20/57/291322057.db2.gz YDWNOWCPNCRQCJ-GZMMTYOYSA-N -1 3 262.334 1.770 10 0 CDAEHM CCOC(=O)CC[C@H](C)NC(=O)c1ccc(OC)cc1[O-] ZINC000270654356 364692494 /nfs/dbraw/zinc/69/24/94/364692494.db2.gz UNCRMHDHQGMYMI-JTQLQIEISA-N -1 3 295.335 1.862 10 0 CDAEHM O=C([N-]c1nnc(C2CC2)s1)c1ccnc2[nH]cnc21 ZINC000580210798 364908804 /nfs/dbraw/zinc/90/88/04/364908804.db2.gz DEJQUSNEPASFAU-UHFFFAOYSA-N -1 3 286.320 1.939 10 0 CDAEHM CCc1ccc([O-])c(C(=O)NCc2cnc(C)nc2N)c1 ZINC000582256939 364926425 /nfs/dbraw/zinc/92/64/25/364926425.db2.gz OXSMIUUDAHNSJX-UHFFFAOYSA-N -1 3 286.335 1.396 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000110312176 365036965 /nfs/dbraw/zinc/03/69/65/365036965.db2.gz QWFFMGKZCLRTOP-GFCCVEGCSA-N -1 3 290.363 1.711 10 0 CDAEHM COc1ccc(C(=O)N(C)Cc2cc[nH]n2)c([O-])c1 ZINC000400054270 366923318 /nfs/dbraw/zinc/92/33/18/366923318.db2.gz YJMFRGMLLYPALN-UHFFFAOYSA-N -1 3 261.281 1.396 10 0 CDAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)NCC(F)(F)F ZINC000357374444 366957222 /nfs/dbraw/zinc/95/72/22/366957222.db2.gz MRWQYWFEZOBBGO-SSDOTTSWSA-N -1 3 278.234 1.367 10 0 CDAEHM COC(=O)[C@@H]1CSCCN(Cc2nc(C)ccc2[O-])C1 ZINC000414564385 241260190 /nfs/dbraw/zinc/26/01/90/241260190.db2.gz DRCQGEBGOVPMKC-NSHDSACASA-N -1 3 296.392 1.434 10 0 CDAEHM COc1cc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)ccc1[O-] ZINC000357595376 367087992 /nfs/dbraw/zinc/08/79/92/367087992.db2.gz OLSYZJMGXHWMLP-MWLCHTKSSA-N -1 3 292.335 1.127 10 0 CDAEHM CCOc1cccc(CN2C[C@@H](OC)C[C@@H]2CC(=O)[O-])n1 ZINC000566859930 370829241 /nfs/dbraw/zinc/82/92/41/370829241.db2.gz ACWDYPUBSSWWLM-OLZOCXBDSA-N -1 3 294.351 1.544 10 0 CDAEHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)Cc1cc(C)on1 ZINC000218977220 367263436 /nfs/dbraw/zinc/26/34/36/367263436.db2.gz YUMYOSBJNGOUSA-GFCCVEGCSA-N -1 3 290.385 1.200 10 0 CDAEHM Cc1ccc([O-])c(CN2C[C@]3(CCOC3)OC(C)(C)C2)n1 ZINC000280272231 367332861 /nfs/dbraw/zinc/33/28/61/367332861.db2.gz 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368105367 /nfs/dbraw/zinc/10/53/67/368105367.db2.gz VYESRNVFYKEYJP-ZNWBZCOPSA-N -1 3 292.314 1.639 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000529984907 368105372 /nfs/dbraw/zinc/10/53/72/368105372.db2.gz VYESRNVFYKEYJP-ZNWBZCOPSA-N -1 3 292.314 1.639 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000529984907 368105375 /nfs/dbraw/zinc/10/53/75/368105375.db2.gz VYESRNVFYKEYJP-ZNWBZCOPSA-N -1 3 292.314 1.639 10 0 CDAEHM COc1cc(C(=O)N2CCN(C(C)=O)C[C@H]2C)ccc1[O-] ZINC000275941698 193170134 /nfs/dbraw/zinc/17/01/34/193170134.db2.gz DWBXRZDYSLNKNV-SNVBAGLBSA-N -1 3 292.335 1.094 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000529977360 368102403 /nfs/dbraw/zinc/10/24/03/368102403.db2.gz JAULVRMNWGURSL-NMSKTSORSA-N -1 3 265.309 1.640 10 0 CDAEHM COC(=O)C(C)(C)[N-]S(=O)(=O)Cc1ccc(C)c(C)c1 ZINC000283444004 368291195 /nfs/dbraw/zinc/29/11/95/368291195.db2.gz DJEFCOWNRITIOU-UHFFFAOYSA-N -1 3 299.392 1.674 10 0 CDAEHM Cc1ccc([O-])c(CN2CCNC(=O)[C@@H]2CC(C)C)n1 ZINC000275962758 193174765 /nfs/dbraw/zinc/17/47/65/193174765.db2.gz KWACEQRABGJVFD-ZDUSSCGKSA-N -1 3 277.368 1.442 10 0 CDAEHM CCc1noc(C)c1CNC(=O)c1ccc2n[n-]nc2c1 ZINC000294102229 370944822 /nfs/dbraw/zinc/94/48/22/370944822.db2.gz UEOOAJBFBXCZPH-UHFFFAOYSA-N -1 3 285.307 1.747 10 0 CDAEHM Cc1cc([N-]S(=O)(=O)N2CCCC2)nn1[C@H](C)C1CC1 ZINC000542231223 368747026 /nfs/dbraw/zinc/74/70/26/368747026.db2.gz NOENXWHZPGABQZ-LLVKDONJSA-N -1 3 298.412 1.915 10 0 CDAEHM COc1ccc(CS(=O)(=O)c2ncc(C(C)C)[n-]2)cn1 ZINC000630430898 368942491 /nfs/dbraw/zinc/94/24/91/368942491.db2.gz QZNHHXUZDZHOAQ-UHFFFAOYSA-N -1 3 295.364 1.911 10 0 CDAEHM COc1ccc(CS(=O)(=O)c2nc(C(C)C)c[n-]2)cn1 ZINC000630430898 368942494 /nfs/dbraw/zinc/94/24/94/368942494.db2.gz QZNHHXUZDZHOAQ-UHFFFAOYSA-N -1 3 295.364 1.911 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](CCO)C(C)C)o1 ZINC000330639341 203067885 /nfs/dbraw/zinc/06/78/85/203067885.db2.gz BXDHCFRLZDILIC-SNVBAGLBSA-N -1 3 261.343 1.273 10 0 CDAEHM COc1cc(=NC(=O)[C@H]2CCOc3ccccc32)[n-]n1C ZINC000547494638 369568525 /nfs/dbraw/zinc/56/85/25/369568525.db2.gz HVMWLHHBODMDSC-NSHDSACASA-N -1 3 287.319 1.355 10 0 CDAEHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000289649866 369604544 /nfs/dbraw/zinc/60/45/44/369604544.db2.gz SZGNIGGFUGATQJ-RNFRBKRXSA-N -1 3 296.751 1.576 10 0 CDAEHM COc1cc(=NC(=O)N(C[C@H](C)OC)C(C)C)[n-]n1C ZINC000547839406 369665507 /nfs/dbraw/zinc/66/55/07/369665507.db2.gz RPMKRJHTHOIOHS-JTQLQIEISA-N -1 3 284.360 1.128 10 0 CDAEHM COc1cc(=NC(=O)N(C)Cc2ccoc2)[n-]n1C ZINC000547845777 369667448 /nfs/dbraw/zinc/66/74/48/369667448.db2.gz ICZNPELMLSBHPR-UHFFFAOYSA-N -1 3 264.285 1.108 10 0 CDAEHM COc1cc(=NC(=O)Cc2c[nH]c3c2cccc3C)[n-]n1C ZINC000548472225 369870415 /nfs/dbraw/zinc/87/04/15/369870415.db2.gz CUVWEXFOUJCRAF-UHFFFAOYSA-N -1 3 298.346 1.822 10 0 CDAEHM C[C@@H](O)C[C@@H]1COCCN1C(=O)c1cccc([O-])c1 ZINC000137229986 369917989 /nfs/dbraw/zinc/91/79/89/369917989.db2.gz 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264.325 1.662 10 0 CDAEHM CCn1nncc1COC(=O)c1cc(F)cc2[n-]nnc21 ZINC000837705976 845272536 /nfs/dbraw/zinc/27/25/36/845272536.db2.gz TXPJTRQRGUUGOA-UHFFFAOYSA-N -1 3 290.258 1.065 10 0 CDAEHM CCn1nncc1COC(=O)c1cc(F)cc2nn[n-]c21 ZINC000837705976 845272546 /nfs/dbraw/zinc/27/25/46/845272546.db2.gz TXPJTRQRGUUGOA-UHFFFAOYSA-N -1 3 290.258 1.065 10 0 CDAEHM CCn1nncc1COC(=O)c1cc(F)cc2n[n-]nc21 ZINC000837705976 845272556 /nfs/dbraw/zinc/27/25/56/845272556.db2.gz TXPJTRQRGUUGOA-UHFFFAOYSA-N -1 3 290.258 1.065 10 0 CDAEHM CCOc1nnc(NC(=O)COCc2ccccc2)[n-]1 ZINC000228766542 845302953 /nfs/dbraw/zinc/30/29/53/845302953.db2.gz QTCWQYRWQZDCBS-UHFFFAOYSA-N -1 3 276.296 1.359 10 0 CDAEHM CCOc1nc(NC(=O)COCc2ccccc2)n[n-]1 ZINC000228766542 845302962 /nfs/dbraw/zinc/30/29/62/845302962.db2.gz QTCWQYRWQZDCBS-UHFFFAOYSA-N -1 3 276.296 1.359 10 0 CDAEHM CCOc1n[n-]c(NC(=O)COCc2ccccc2)n1 ZINC000228766542 845302975 /nfs/dbraw/zinc/30/29/75/845302975.db2.gz QTCWQYRWQZDCBS-UHFFFAOYSA-N -1 3 276.296 1.359 10 0 CDAEHM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1C[C@H]1C1CC1 ZINC000867220009 845517111 /nfs/dbraw/zinc/51/71/11/845517111.db2.gz ZNZYRAGUBPXHOX-VHSXEESVSA-N -1 3 280.415 1.127 10 0 CDAEHM COc1ccc(C(=O)N2CCO[C@H](C)CC2)c([O-])c1 ZINC000720484095 845528731 /nfs/dbraw/zinc/52/87/31/845528731.db2.gz PPJRTDWAFBABMI-SNVBAGLBSA-N -1 3 265.309 1.652 10 0 CDAEHM CN(C)CCN(CC(=O)[O-])C(=O)[C@H]1CCC=CCCC1 ZINC000719058213 845602388 /nfs/dbraw/zinc/60/23/88/845602388.db2.gz RPGUUSFYDLXKPS-ZDUSSCGKSA-N -1 3 282.384 1.598 10 0 CDAEHM C[C@@H](NC(=O)c1cc(=O)[n-]cn1)[C@](C)(O)c1ccccc1 ZINC000862125488 845665961 /nfs/dbraw/zinc/66/59/61/845665961.db2.gz IBYXOKGCZDSUCI-BMIGLBTASA-N -1 3 287.319 1.208 10 0 CDAEHM COC[C@H](COC(=O)c1cc(-c2ccco2)[n-]n1)OC ZINC000849677275 845802764 /nfs/dbraw/zinc/80/27/64/845802764.db2.gz UNINSXRAMHPZQR-SECBINFHSA-N -1 3 280.280 1.488 10 0 CDAEHM COC[C@H](COC(=O)c1cc(-c2ccco2)n[n-]1)OC ZINC000849677275 845802766 /nfs/dbraw/zinc/80/27/66/845802766.db2.gz UNINSXRAMHPZQR-SECBINFHSA-N -1 3 280.280 1.488 10 0 CDAEHM C[C@@H]1CC[C@H](OC(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000815204784 845945771 /nfs/dbraw/zinc/94/57/71/845945771.db2.gz ABSDPFKMTYZRMJ-MFKMUULPSA-N -1 3 277.320 1.854 10 0 CDAEHM C/C(=C\c1ccccn1)C(=O)[N-]OCCOC(C)C ZINC000848108713 845978402 /nfs/dbraw/zinc/97/84/02/845978402.db2.gz UMPFAXXZXPBOEK-ZRDIBKRKSA-N -1 3 264.325 1.958 10 0 CDAEHM CCCCC[C@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)CC ZINC000866468121 846058321 /nfs/dbraw/zinc/05/83/21/846058321.db2.gz AZYHUHQCVVOLFQ-MGPLVRAMSA-N -1 3 284.447 1.907 10 0 CDAEHM O=C(OCCC[C@@H]1CCOC1)c1cncc([O-])c1 ZINC000828842425 846046230 /nfs/dbraw/zinc/04/62/30/846046230.db2.gz VGBVNHLUJOWPCY-SNVBAGLBSA-N -1 3 251.282 1.761 10 0 CDAEHM COC[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2[O-])C1 ZINC000714276581 846148185 /nfs/dbraw/zinc/14/81/85/846148185.db2.gz RKCLKVGUELGHCU-DTORHVGOSA-N -1 3 251.282 1.253 10 0 CDAEHM CC(=O)[N-]OCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000119923592 846176455 /nfs/dbraw/zinc/17/64/55/846176455.db2.gz SHWJQLJNONHJOP-QMMMGPOBSA-N -1 3 254.261 1.071 10 0 CDAEHM O=C([O-])c1ccc(CN[C@H]2CO[C@@H](C3CC3)C2)o1 ZINC000701122007 846227667 /nfs/dbraw/zinc/22/76/67/846227667.db2.gz GZYLOHAMDYNQTO-BXKDBHETSA-N -1 3 251.282 1.635 10 0 CDAEHM Cc1nc(C)c(CC(=O)NC[C@H](C)CC(F)F)c(=O)[n-]1 ZINC000843961698 846229185 /nfs/dbraw/zinc/22/91/85/846229185.db2.gz KJHMENRAHIQIPI-SSDOTTSWSA-N -1 3 287.310 1.749 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1cscn1)c1ccns1 ZINC000859401482 846364767 /nfs/dbraw/zinc/36/47/67/846364767.db2.gz WMFFKIGELCKRFR-ZCFIWIBFSA-N -1 3 275.380 1.639 10 0 CDAEHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc(C)nn2)o1 ZINC000866489018 846372326 /nfs/dbraw/zinc/37/23/26/846372326.db2.gz BAXSVURBKAKSRI-UHFFFAOYSA-N -1 3 281.337 1.207 10 0 CDAEHM Cn1cnc(S(=O)(=O)[N-]CC[C@@]2(C)C[C@]2(F)Cl)c1 ZINC000845984770 846419615 /nfs/dbraw/zinc/41/96/15/846419615.db2.gz YTUUVVLINHUAOL-VHSXEESVSA-N -1 3 295.767 1.403 10 0 CDAEHM COCCN(CCF)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000855589558 846568622 /nfs/dbraw/zinc/56/86/22/846568622.db2.gz DNINHHQTKHHPDB-UHFFFAOYSA-N -1 3 292.310 1.586 10 0 CDAEHM C[C@@H]1CC[C@H](C(=O)[O-])CN1C[C@H](O)C(F)(F)F ZINC000397003974 846572071 /nfs/dbraw/zinc/57/20/71/846572071.db2.gz GYXIKEWZCUUKBQ-CSMHCCOUSA-N -1 3 255.236 1.095 10 0 CDAEHM Cc1nocc1S(=O)(=O)[N-]CCC1SCCS1 ZINC000867531738 846576919 /nfs/dbraw/zinc/57/69/19/846576919.db2.gz KHVJMIGHKWJRHL-UHFFFAOYSA-N -1 3 294.423 1.458 10 0 CDAEHM COC(=O)/C(C)=C/CSc1ncc(C(=O)OC)[n-]1 ZINC000788506095 846774564 /nfs/dbraw/zinc/77/45/64/846774564.db2.gz OZBLCUHLCNTESJ-QPJJXVBHSA-N -1 3 270.310 1.408 10 0 CDAEHM Cc1cc(=O)[n-]c(CN(C)CCNC(=O)OC(C)(C)C)n1 ZINC000839134882 846794604 /nfs/dbraw/zinc/79/46/04/846794604.db2.gz AURARGBFEFAWCQ-UHFFFAOYSA-N -1 3 296.371 1.447 10 0 CDAEHM COC(=O)Cc1nc(NC(=O)CCC[Si](C)(C)C)n[n-]1 ZINC000847502863 846829216 /nfs/dbraw/zinc/82/92/16/846829216.db2.gz HHCHYAZLZJZGFK-UHFFFAOYSA-N -1 3 298.419 1.577 10 0 CDAEHM Cc1cc(C[N-]c2nnc(C(=O)NC(C)C)o2)no1 ZINC000849162468 846888041 /nfs/dbraw/zinc/88/80/41/846888041.db2.gz ZYPBAYWCAJGQMC-UHFFFAOYSA-N -1 3 265.273 1.116 10 0 CDAEHM COC(=O)CC[C@H](N)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000823074580 846955284 /nfs/dbraw/zinc/95/52/84/846955284.db2.gz DOISMVZNILUFGP-VIFPVBQESA-N -1 3 295.270 1.534 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]3C[C@@]32C(=O)OC)n1 ZINC000933162987 846969753 /nfs/dbraw/zinc/96/97/53/846969753.db2.gz OMPUFCUMPKRKHW-BMIGLBTASA-N -1 3 291.351 1.272 10 0 CDAEHM COCCO[N-]C(=O)Cc1ccc(Cl)c(F)c1 ZINC000790575347 846979164 /nfs/dbraw/zinc/97/91/64/846979164.db2.gz VJJONTIPVJRMHR-UHFFFAOYSA-N -1 3 261.680 1.716 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@]2(C)CC2(C)C)nn1 ZINC000867529088 847048989 /nfs/dbraw/zinc/04/89/89/847048989.db2.gz HJUPMUNHXVQHIS-NSHDSACASA-N -1 3 255.343 1.252 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCC[C@@H](C(=O)NC(C)C)C2)n1 ZINC000852696064 847059854 /nfs/dbraw/zinc/05/98/54/847059854.db2.gz SRYZBHMFLOQSHF-GFCCVEGCSA-N -1 3 292.383 1.227 10 0 CDAEHM COC(=O)[C@@H](CF)[N-]C(=O)C(F)(F)c1ccccc1 ZINC000807842453 847087412 /nfs/dbraw/zinc/08/74/12/847087412.db2.gz KKYKZEJKYFTIKS-SECBINFHSA-N -1 3 275.226 1.406 10 0 CDAEHM O=C(NCC[C@@H]1CCCOC1)c1cc2c(cc1[O-])OCO2 ZINC000862392725 847102064 /nfs/dbraw/zinc/10/20/64/847102064.db2.gz PLAVFULDNUAYQN-JTQLQIEISA-N -1 3 293.319 1.667 10 0 CDAEHM C/C=C\C[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F ZINC000859359819 847326645 /nfs/dbraw/zinc/32/66/45/847326645.db2.gz ZAUVZWRISIFOKM-ARJAWSKDSA-N -1 3 287.312 1.467 10 0 CDAEHM CO[C@@H]1CCCN(NC(=O)c2c(Cl)n[n-]c2C2CC2)C1 ZINC000928421271 847525413 /nfs/dbraw/zinc/52/54/13/847525413.db2.gz LDYLVBKMEQUSMM-SECBINFHSA-N -1 3 298.774 1.696 10 0 CDAEHM CO[C@@H]1CCCN(NC(=O)c2c(Cl)[n-]nc2C2CC2)C1 ZINC000928421271 847525422 /nfs/dbraw/zinc/52/54/22/847525422.db2.gz LDYLVBKMEQUSMM-SECBINFHSA-N -1 3 298.774 1.696 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccco2)nn1 ZINC000867408714 847543922 /nfs/dbraw/zinc/54/39/22/847543922.db2.gz BONALDMRXAWNOA-NXEZZACHSA-N -1 3 279.321 1.212 10 0 CDAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCCC1CC1 ZINC000076298034 847628636 /nfs/dbraw/zinc/62/86/36/847628636.db2.gz RSJOSBYRCHGMAB-UHFFFAOYSA-N -1 3 291.804 1.850 10 0 CDAEHM CO[C@H]1COCC[C@@H]1CC(=O)[N-]OC1CCCC1 ZINC000827834214 847777071 /nfs/dbraw/zinc/77/70/71/847777071.db2.gz HQBWMKIPLHZNHA-PWSUYJOCSA-N -1 3 257.330 1.418 10 0 CDAEHM COC(=O)c1cc(C(=O)[N-]c2nonc2C)c(C)o1 ZINC000857584721 847787690 /nfs/dbraw/zinc/78/76/90/847787690.db2.gz QECDFWXCKFMZPL-UHFFFAOYSA-N -1 3 265.225 1.318 10 0 CDAEHM COC(=O)c1cc(C(=O)OC/C=C/Br)c[n-]1 ZINC000816094572 847804609 /nfs/dbraw/zinc/80/46/09/847804609.db2.gz YCZCVGCUZMRSOF-NSCUHMNNSA-N -1 3 288.097 1.867 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCCCO2)nn1 ZINC000867072922 847843734 /nfs/dbraw/zinc/84/37/34/847843734.db2.gz NHCPSVREMKJTJS-NSHDSACASA-N -1 3 285.369 1.023 10 0 CDAEHM CNC(=O)[C@@H]1CCCN1C[C@@H](C)C(=O)c1ccc([O-])cc1 ZINC000929334110 848016942 /nfs/dbraw/zinc/01/69/42/848016942.db2.gz NAGQHDBNLKJCAI-RISCZKNCSA-N -1 3 290.363 1.421 10 0 CDAEHM COc1cccc(C(=O)Nc2cn(C)nc2C)c1[O-] ZINC000172755875 912401370 /nfs/dbraw/zinc/40/13/70/912401370.db2.gz FPAQEEQJVDEVTQ-UHFFFAOYSA-N -1 3 261.281 1.695 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)C(C)=Cc1ccco1 ZINC001272350392 912916472 /nfs/dbraw/zinc/91/64/72/912916472.db2.gz PPYYFGWGQZAYBN-SOFGYWHQSA-N -1 3 275.264 1.831 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)C(C)=Cc1ccco1 ZINC001272350392 912916487 /nfs/dbraw/zinc/91/64/87/912916487.db2.gz PPYYFGWGQZAYBN-SOFGYWHQSA-N -1 3 275.264 1.831 10 0 CDAEHM COc1nnc(NC(=O)c2ccc3ccncc3c2)[n-]1 ZINC000702661523 898017606 /nfs/dbraw/zinc/01/76/06/898017606.db2.gz UYLQWUOBATYFGW-UHFFFAOYSA-N -1 3 269.264 1.614 10 0 CDAEHM COc1nc(NC(=O)c2ccc3ccncc3c2)n[n-]1 ZINC000702661523 898017615 /nfs/dbraw/zinc/01/76/15/898017615.db2.gz UYLQWUOBATYFGW-UHFFFAOYSA-N -1 3 269.264 1.614 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc3ccncc3c2)n1 ZINC000702661523 898017632 /nfs/dbraw/zinc/01/76/32/898017632.db2.gz UYLQWUOBATYFGW-UHFFFAOYSA-N -1 3 269.264 1.614 10 0 CDAEHM COC(=O)/C=C\[C@@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC001353321116 899425010 /nfs/dbraw/zinc/42/50/10/899425010.db2.gz OMSRWBKOGKUKEB-ONRRBMGISA-N -1 3 263.293 1.548 10 0 CDAEHM C[C@@]1(C[N-]S(=O)(=O)c2cccnc2F)CCCO1 ZINC000401884023 901921657 /nfs/dbraw/zinc/92/16/57/901921657.db2.gz OXWUDZLXDLGGIU-NSHDSACASA-N -1 3 274.317 1.068 10 0 CDAEHM Cc1cnc(CN[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)s1 ZINC000713008318 904842008 /nfs/dbraw/zinc/84/20/08/904842008.db2.gz BHYLGDOKBUKTSM-YGOYTEALSA-N -1 3 252.339 1.794 10 0 CDAEHM O=c1cc(N2CCO[C@H](CC(F)(F)F)C2)nc[n-]1 ZINC000698178813 911352256 /nfs/dbraw/zinc/35/22/56/911352256.db2.gz JLMSQQDNOPMUGZ-SSDOTTSWSA-N -1 3 263.219 1.340 10 0 CDAEHM N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000698186862 911372334 /nfs/dbraw/zinc/37/23/34/911372334.db2.gz ZSMPGMDHFQAGRU-RWMBFGLXSA-N -1 3 282.384 1.654 10 0 CDAEHM CCOCCC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001179183365 915757934 /nfs/dbraw/zinc/75/79/34/915757934.db2.gz RPUWBYZYZFHIHK-LURJTMIESA-N -1 3 280.250 1.427 10 0 CDAEHM C[C@H](NC(=O)c1n[nH]c2ccccc21)c1nn(C)cc1[O-] ZINC001179921009 916095594 /nfs/dbraw/zinc/09/55/94/916095594.db2.gz LJKFIWPBRKOCMU-QMMMGPOBSA-N -1 3 285.307 1.493 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)c2cncc(F)c2Cl)n1 ZINC001183878284 918725620 /nfs/dbraw/zinc/72/56/20/918725620.db2.gz HMNKODJLTNIDIO-UHFFFAOYSA-N -1 3 296.689 1.608 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CC[C@@H]1[C@H]1CCCOC1 ZINC001649360758 1169238709 /nfs/dbraw/zinc/23/87/09/1169238709.db2.gz FUNGYESHIULSRL-GXFFZTMASA-N -1 3 277.320 1.739 10 0 CDAEHM O=C([N-]CC(O)(C1CC1)C1CC1)C(F)(F)C(F)F ZINC000689667293 936786544 /nfs/dbraw/zinc/78/65/44/936786544.db2.gz HNWZZEXNSKFZIG-UHFFFAOYSA-N -1 3 269.238 1.554 10 0 CDAEHM CC[C@@H](OC)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001413780321 936935045 /nfs/dbraw/zinc/93/50/45/936935045.db2.gz ZISHYSMGJSIGLD-IJLUTSLNSA-N -1 3 293.367 1.750 10 0 CDAEHM CCOC(=O)C(C)(C)O[N-]C(=O)/C=C\[C@@H]1CCCO1 ZINC000855134796 928359187 /nfs/dbraw/zinc/35/91/87/928359187.db2.gz AGNVMTCACNXJGX-DMEOUFDRSA-N -1 3 271.313 1.111 10 0 CDAEHM Cc1cc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)ns1 ZINC001144528044 931884498 /nfs/dbraw/zinc/88/44/98/931884498.db2.gz OCCWYRNCKXCFFE-UHFFFAOYSA-N -1 3 282.350 1.166 10 0 CDAEHM C[C@@H](CCNC(=O)Cc1ccc([O-])c(F)c1)[S@@](C)=O ZINC001412638477 932583473 /nfs/dbraw/zinc/58/34/73/932583473.db2.gz ALKFJCUCDGPPGR-ZRNGKTOUSA-N -1 3 287.356 1.347 10 0 CDAEHM O=c1cc(CNc2cc(Cl)nc(=O)[nH]2)nc(C2CC2)[n-]1 ZINC001412914845 935091561 /nfs/dbraw/zinc/09/15/61/935091561.db2.gz AJZYOVKYVYIEPL-UHFFFAOYSA-N -1 3 293.714 1.821 10 0 CDAEHM COC[C@@H]([N-]S(=O)(=O)c1cccnc1F)C(C)C ZINC000401827004 940881687 /nfs/dbraw/zinc/88/16/87/940881687.db2.gz LYLGXWOCLDUHHM-SECBINFHSA-N -1 3 276.333 1.170 10 0 CDAEHM COc1cccc([O-])c1C(=O)NCCOC(C)(C)C ZINC000405409384 940987108 /nfs/dbraw/zinc/98/71/08/940987108.db2.gz SWXNIBSWQSXMGT-UHFFFAOYSA-N -1 3 267.325 1.946 10 0 CDAEHM C[C@@H](CNC(=O)c1cnncc1[O-])Oc1ccccc1 ZINC001362161307 970961562 /nfs/dbraw/zinc/96/15/62/970961562.db2.gz QYJLIEBROAVPPU-JTQLQIEISA-N -1 3 273.292 1.380 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCC[C@@H](C)OC)c1 ZINC001263794581 943975843 /nfs/dbraw/zinc/97/58/43/943975843.db2.gz ZBOZDLIEXSJABP-SNVBAGLBSA-N -1 3 292.335 1.672 10 0 CDAEHM CC1(CNC(=O)c2cnncc2[O-])Cc2ccccc2C1 ZINC001362256209 971078855 /nfs/dbraw/zinc/07/88/55/971078855.db2.gz QSQCQLMJPLGTAN-UHFFFAOYSA-N -1 3 283.331 1.717 10 0 CDAEHM O=C(NC[C@H]1CCc2ccccc2C1)c1cnncc1[O-] ZINC001362257357 971082848 /nfs/dbraw/zinc/08/28/48/971082848.db2.gz WTIXDBBBZPHFKC-NSHDSACASA-N -1 3 283.331 1.717 10 0 CDAEHM O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1ccccc1[O-] ZINC001362924938 971733459 /nfs/dbraw/zinc/73/34/59/971733459.db2.gz FBLJFNDJZZXNRS-ZDUSSCGKSA-N -1 3 289.306 1.865 10 0 CDAEHM Cc1oc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1CO ZINC001362998664 971802109 /nfs/dbraw/zinc/80/21/09/971802109.db2.gz CCJVWQCSORPUKD-SECBINFHSA-N -1 3 291.307 1.139 10 0 CDAEHM COc1cc(C(=O)NCc2cnoc2C)cc(OC)c1[O-] ZINC001363010150 971812272 /nfs/dbraw/zinc/81/22/72/971812272.db2.gz XJFACFGMOAAGLE-UHFFFAOYSA-N -1 3 292.291 1.636 10 0 CDAEHM CCc1ccc(C(=O)N[C@H](C)C2N=NC(=O)N2C)c([O-])c1 ZINC001363156902 971932630 /nfs/dbraw/zinc/93/26/30/971932630.db2.gz KIKNHXFGLYQITR-MRVPVSSYSA-N -1 3 290.323 1.280 10 0 CDAEHM CC[C@@](C)(OC)C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001363650363 953605558 /nfs/dbraw/zinc/60/55/58/953605558.db2.gz IWRZQKPWORBOLL-LHLIQPBNSA-N -1 3 294.277 1.816 10 0 CDAEHM CO[N-]C(=O)Cc1c(C)nn(-c2ccccn2)c1C ZINC001290648474 954063383 /nfs/dbraw/zinc/06/33/83/954063383.db2.gz ICYONXVUXRKBQQ-UHFFFAOYSA-N -1 3 260.297 1.104 10 0 CDAEHM Cc1[nH]c2ccccc2c1CCNC(=O)c1cc(=O)[n-]cn1 ZINC001292622542 954215906 /nfs/dbraw/zinc/21/59/06/954215906.db2.gz RZIUJDIVFJVBKK-UHFFFAOYSA-N -1 3 296.330 1.944 10 0 CDAEHM Cc1cccc([O-])c1C(=O)NCc1[nH]cc(C)c(=O)c1C ZINC001364358831 954500896 /nfs/dbraw/zinc/50/08/96/954500896.db2.gz HVXXGXIMCYZYFA-UHFFFAOYSA-N -1 3 286.331 1.936 10 0 CDAEHM O=c1[n-]c(C2CC2)nc2c1CN(CCn1ccnc1)C2 ZINC001364490405 954681774 /nfs/dbraw/zinc/68/17/74/954681774.db2.gz NCORWDZCHZGVJV-UHFFFAOYSA-N -1 3 271.324 1.272 10 0 CDAEHM C[C@](O)(CN1Cc2nc(C3CC3)[n-]c(=O)c2C1)C(F)F ZINC001363297389 972064248 /nfs/dbraw/zinc/06/42/48/972064248.db2.gz JPRMDEGIKBLRGD-ZDUSSCGKSA-N -1 3 285.294 1.391 10 0 CDAEHM Cc1cc(CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)no1 ZINC001364788118 955172491 /nfs/dbraw/zinc/17/24/91/955172491.db2.gz HASCQTCBHPGSHA-UHFFFAOYSA-N -1 3 272.308 1.872 10 0 CDAEHM CC(C)c1ccc(C(=O)N2CC(NC3COC3)C2)c([O-])c1 ZINC001365050538 955541033 /nfs/dbraw/zinc/54/10/33/955541033.db2.gz FTJXZECBZVZGJQ-UHFFFAOYSA-N -1 3 290.363 1.328 10 0 CDAEHM COC(=O)c1sccc1C(=O)[N-]c1nnc(OC)s1 ZINC001363407960 972144813 /nfs/dbraw/zinc/14/48/13/972144813.db2.gz CDUHLVNYFANYEH-UHFFFAOYSA-N -1 3 299.333 1.647 10 0 CDAEHM Cn1nc2c(c1CN[C@H]1C=C[C@@H](C(=O)[O-])C1)CCCC2 ZINC001329681719 956061894 /nfs/dbraw/zinc/06/18/94/956061894.db2.gz KWVGLPJESMHJSO-MNOVXSKESA-N -1 3 275.352 1.418 10 0 CDAEHM C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1cnccn1 ZINC001363459003 972183771 /nfs/dbraw/zinc/18/37/71/972183771.db2.gz RVPXNGVOUZCDDB-QMMMGPOBSA-N -1 3 287.275 1.402 10 0 CDAEHM CCn1ncnc1CN[C@@H]1C[C@H](C(=O)[O-])CC[C@H]1C ZINC001332475181 957579746 /nfs/dbraw/zinc/57/97/46/957579746.db2.gz BLHYJOSZQHPLRE-GMTAPVOTSA-N -1 3 266.345 1.277 10 0 CDAEHM CC[C@@H](CNC(=O)[C@@H](N)C1CCCCC1)C(=O)[O-] ZINC001334100591 958836381 /nfs/dbraw/zinc/83/63/81/958836381.db2.gz LSVVGMOIEYMGMH-ONGXEEELSA-N -1 3 256.346 1.121 10 0 CDAEHM COc1ccsc1CN[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC001334793544 959369287 /nfs/dbraw/zinc/36/92/87/959369287.db2.gz LROLPJZGHZCPAC-XCBNKYQSSA-N -1 3 257.311 1.088 10 0 CDAEHM COCc1ccnc([N-]C(=O)c2cc(C(=O)OC)no2)c1 ZINC001434148562 961030432 /nfs/dbraw/zinc/03/04/32/961030432.db2.gz PHQUVGUNDDVARE-UHFFFAOYSA-N -1 3 291.263 1.255 10 0 CDAEHM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1cnncc1O ZINC001434303736 961148578 /nfs/dbraw/zinc/14/85/78/961148578.db2.gz PHIPUYCEACRNTQ-QMMMGPOBSA-N -1 3 293.308 1.138 10 0 CDAEHM COc1nscc1[N-]C(=O)c1csc(CO)n1 ZINC001434344509 961176603 /nfs/dbraw/zinc/17/66/03/961176603.db2.gz FPPXAPOAYHYWTH-UHFFFAOYSA-N -1 3 271.323 1.353 10 0 CDAEHM C[C@H]1CCCC[C@@H]1OCCNC(=O)c1cnncc1[O-] ZINC001441549806 964585668 /nfs/dbraw/zinc/58/56/68/964585668.db2.gz IANCRKJGDYOFSR-GWCFXTLKSA-N -1 3 279.340 1.507 10 0 CDAEHM CSc1nc(NC(=O)Cc2cccnc2Cl)n[n-]1 ZINC001442618674 965139883 /nfs/dbraw/zinc/13/98/83/965139883.db2.gz RTOKZLPZBMTICR-UHFFFAOYSA-N -1 3 283.744 1.756 10 0 CDAEHM CC(C)[C@H](F)C(=O)NCCCNC(=O)c1ccccc1[O-] ZINC001349717558 966444304 /nfs/dbraw/zinc/44/43/04/966444304.db2.gz FGRSVHHVRJVFCC-ZDUSSCGKSA-N -1 3 296.342 1.622 10 0 CDAEHM COc1nnc(NC(=O)C(C)=Cc2cccnc2)[n-]1 ZINC001446195565 966481649 /nfs/dbraw/zinc/48/16/49/966481649.db2.gz XICKBABUITZEPW-VURMDHGXSA-N -1 3 259.269 1.250 10 0 CDAEHM COc1nc(NC(=O)C(C)=Cc2cccnc2)n[n-]1 ZINC001446195565 966481654 /nfs/dbraw/zinc/48/16/54/966481654.db2.gz XICKBABUITZEPW-VURMDHGXSA-N -1 3 259.269 1.250 10 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c1cn(C2CCCC2)nc1CN1CC[C@H](c2nnn[n-]2)C1 ZINC001473749373 969840005 /nfs/dbraw/zinc/84/00/05/969840005.db2.gz GWACRFAPKYWDGY-NSHDSACASA-N -1 3 287.371 1.501 10 0 CDAEHM c1cn(C2CCCC2)nc1CN1CC[C@H](c2nn[n-]n2)C1 ZINC001473749373 969840012 /nfs/dbraw/zinc/84/00/12/969840012.db2.gz GWACRFAPKYWDGY-NSHDSACASA-N -1 3 287.371 1.501 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](C)CC(F)(F)F ZINC001361771339 970512418 /nfs/dbraw/zinc/51/24/18/970512418.db2.gz MORGQHRDOLAWCM-SVRRBLITSA-N -1 3 279.262 1.203 10 0 CDAEHM C[S@](=O)(=NC(=O)c1cc(=O)[n-]cn1)c1ccc(F)cc1 ZINC001471989528 970531489 /nfs/dbraw/zinc/53/14/89/970531489.db2.gz PRBJEBMXIMUTGA-HXUWFJFHSA-N -1 3 295.295 1.618 10 0 CDAEHM O=C(c1cc([O-])ccc1Cl)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001417876536 973443209 /nfs/dbraw/zinc/44/32/09/973443209.db2.gz OWHBOQYJTWOYKI-UWVGGRQHSA-N -1 3 298.745 1.914 10 0 CDAEHM CC[C@@H](CNC(=O)CCCC(C)C)NC(=O)c1cn[n-]n1 ZINC001375252832 974304476 /nfs/dbraw/zinc/30/44/76/974304476.db2.gz PXIKPEYHPKSYEA-NSHDSACASA-N -1 3 295.387 1.256 10 0 CDAEHM CCC(CC)(CNC(=O)N1CCN2CCC[C@@H]2C1)C(=O)[O-] ZINC000165184504 282093609 /nfs/dbraw/zinc/09/36/09/282093609.db2.gz YQXPZHLFPVPSKZ-GFCCVEGCSA-N -1 3 297.399 1.367 10 0 CDAEHM COC(=O)c1[n-]c(=NCC(C)(C)CO)sc1C ZINC000617961531 342000048 /nfs/dbraw/zinc/00/00/48/342000048.db2.gz YAXVLCNLNVPLEQ-UHFFFAOYSA-N -1 3 258.343 1.090 10 0 CDAEHM CC(C)(C)OC(=O)C[N-]S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000601348086 342556023 /nfs/dbraw/zinc/55/60/23/342556023.db2.gz QEQGTBVQDREWON-QMMMGPOBSA-N -1 3 299.339 1.293 10 0 CDAEHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cn(C)nc1C(F)F ZINC000650796166 398208843 /nfs/dbraw/zinc/20/88/43/398208843.db2.gz MZRNAOOVYGZHEP-VXNVDRBHSA-N -1 3 273.283 1.795 10 0 CDAEHM O=C(Cc1ccc([O-])cc1Cl)N1CCNCC1 ZINC000082655287 178143191 /nfs/dbraw/zinc/14/31/91/178143191.db2.gz NFEOLZILCYTBMY-UHFFFAOYSA-N -1 3 254.717 1.020 10 0 CDAEHM COC(=O)c1ccccc1S(=O)(=O)[N-]CC(C)(C)F ZINC000601476460 342566022 /nfs/dbraw/zinc/56/60/22/342566022.db2.gz QFNLZWSZLDGXNA-UHFFFAOYSA-N -1 3 289.328 1.500 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)C(C)C)c(F)c1F ZINC000625044687 342027975 /nfs/dbraw/zinc/02/79/75/342027975.db2.gz FMYILGJTIRKEQV-SECBINFHSA-N -1 3 293.335 1.568 10 0 CDAEHM O=S(=O)([N-][C@H](CO)c1ccsc1)c1cccs1 ZINC000351577872 361771635 /nfs/dbraw/zinc/77/16/35/361771635.db2.gz VKOBBVHTJSFOLE-SECBINFHSA-N -1 3 289.403 1.822 10 0 CDAEHM COCc1n[n-]c(=NC2CCN(C3CC3)CC2)s1 ZINC000531655827 361774612 /nfs/dbraw/zinc/77/46/12/361774612.db2.gz VGXMJUUBTVBRPN-UHFFFAOYSA-N -1 3 268.386 1.145 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)N(C)C)c(F)c1F ZINC000625239978 342045520 /nfs/dbraw/zinc/04/55/20/342045520.db2.gz HUGOXZWHXGEDMO-VIFPVBQESA-N -1 3 292.351 1.502 10 0 CDAEHM COCCN1CCC[C@@H]1CNC(=O)c1c(C)cccc1[O-] ZINC000625265932 342062525 /nfs/dbraw/zinc/06/25/25/342062525.db2.gz GGXOXPCNFPSVGS-CYBMUJFWSA-N -1 3 292.379 1.541 10 0 CDAEHM CCN=c1[n-]c(C(=O)N[C@H]2C[C@H](OCC)C2)cs1 ZINC000617964089 342077940 /nfs/dbraw/zinc/07/79/40/342077940.db2.gz ONOZIIAUMFKYMR-KYZUINATSA-N -1 3 269.370 1.294 10 0 CDAEHM CC(C)(C)N1CCc2ccccc2[C@@H]1c1nn[n-]n1 ZINC000616678642 342127192 /nfs/dbraw/zinc/12/71/92/342127192.db2.gz KQKWLAMNWOOERM-GFCCVEGCSA-N -1 3 257.341 1.946 10 0 CDAEHM CC(C)(C)N1CCc2ccccc2[C@@H]1c1nnn[n-]1 ZINC000616678642 342127193 /nfs/dbraw/zinc/12/71/93/342127193.db2.gz KQKWLAMNWOOERM-GFCCVEGCSA-N -1 3 257.341 1.946 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CC[C@H]3COC[C@@H]3C2)c1 ZINC000620151630 342151497 /nfs/dbraw/zinc/15/14/97/342151497.db2.gz HTKLXIXYUWGZBL-QWRGUYRKSA-N -1 3 277.320 1.509 10 0 CDAEHM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)CCC(C)C ZINC000592076417 342664053 /nfs/dbraw/zinc/66/40/53/342664053.db2.gz ZWUZQUFGZJHHOA-LLVKDONJSA-N -1 3 293.429 1.930 10 0 CDAEHM CC(C)COC[C@H](O)CN1CCc2occc2[C@H]1C(=O)[O-] ZINC000629367042 361867335 /nfs/dbraw/zinc/86/73/35/361867335.db2.gz GFXUVOQTPYAFGU-RISCZKNCSA-N -1 3 297.351 1.297 10 0 CDAEHM COC(=O)[C@H](CCF)NC(=O)c1cc([O-])ccc1Cl ZINC000593825076 342842224 /nfs/dbraw/zinc/84/22/24/342842224.db2.gz XRSZHWDRUBCLJQ-JTQLQIEISA-N -1 3 289.690 1.677 10 0 CDAEHM Cc1cccc(S(=O)(=O)[N-]CC[C@@H]2CCCO2)c1F ZINC000313204760 539028943 /nfs/dbraw/zinc/02/89/43/539028943.db2.gz CZBQXVDYNQWSJM-NSHDSACASA-N -1 3 287.356 1.982 10 0 CDAEHM COc1cc(C(=O)N2CCC([C@H](C)O)CC2)ccc1[O-] ZINC000082286416 342216693 /nfs/dbraw/zinc/21/66/93/342216693.db2.gz BFDRRKJJLYEKJP-JTQLQIEISA-N -1 3 279.336 1.634 10 0 CDAEHM C[C@@](O)(CO)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000338623443 539066911 /nfs/dbraw/zinc/06/69/11/539066911.db2.gz DTYZJWQTQJFPPY-HNNXBMFYSA-N -1 3 275.304 1.019 10 0 CDAEHM CCn1nccc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000165158644 539125939 /nfs/dbraw/zinc/12/59/39/539125939.db2.gz DAHCEEXNBIOIMD-UHFFFAOYSA-N -1 3 285.311 1.279 10 0 CDAEHM CCn1nccc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000165158644 539125940 /nfs/dbraw/zinc/12/59/40/539125940.db2.gz DAHCEEXNBIOIMD-UHFFFAOYSA-N -1 3 285.311 1.279 10 0 CDAEHM O=C(NCC1CCC(O)CC1)c1cccc2nn[n-]c21 ZINC000619414133 349692953 /nfs/dbraw/zinc/69/29/53/349692953.db2.gz OZHDLONRGHPXBS-UHFFFAOYSA-N -1 3 274.324 1.239 10 0 CDAEHM O=C(NCC1CCC(O)CC1)c1cccc2[n-]nnc21 ZINC000619414133 349692955 /nfs/dbraw/zinc/69/29/55/349692955.db2.gz OZHDLONRGHPXBS-UHFFFAOYSA-N -1 3 274.324 1.239 10 0 CDAEHM O=C(NCC1CCC(O)CC1)c1cccc2n[n-]nc21 ZINC000619414133 349692958 /nfs/dbraw/zinc/69/29/58/349692958.db2.gz OZHDLONRGHPXBS-UHFFFAOYSA-N -1 3 274.324 1.239 10 0 CDAEHM CCc1noc(C)c1[N-]C(=O)c1cncc(C(=O)OC)c1 ZINC000091249685 342402787 /nfs/dbraw/zinc/40/27/87/342402787.db2.gz BSCJEEUGOCCWOQ-UHFFFAOYSA-N -1 3 289.291 1.979 10 0 CDAEHM CCOC(=O)C(C=C([O-])c1ccco1)C(=O)OCC ZINC000034639340 342446379 /nfs/dbraw/zinc/44/63/79/342446379.db2.gz TWQFFCBIPVAHIP-UHFFFAOYSA-N -1 3 268.265 1.595 10 0 CDAEHM CC(C)(C)[C@H](O)CNC(=O)c1c([O-])cccc1O ZINC000092125122 342411264 /nfs/dbraw/zinc/41/12/64/342411264.db2.gz KOMXYWZSWKCKFH-SNVBAGLBSA-N -1 3 253.298 1.235 10 0 CDAEHM C[C@@H]1N(Cc2ccccc2)CC[C@@]12OC(=O)[N-]C2=O ZINC000306778566 362542742 /nfs/dbraw/zinc/54/27/42/362542742.db2.gz RCYZSENFQSBSDE-IINYFYTJSA-N -1 3 260.293 1.286 10 0 CDAEHM Clc1ccc(O[C@H]2CCOC2)c(-c2nnn[n-]2)c1 ZINC000095219432 345115768 /nfs/dbraw/zinc/11/57/68/345115768.db2.gz MCDRUXULFYODDC-QMMMGPOBSA-N -1 3 266.688 1.688 10 0 CDAEHM Clc1ccc(O[C@H]2CCOC2)c(-c2nn[n-]n2)c1 ZINC000095219432 345115770 /nfs/dbraw/zinc/11/57/70/345115770.db2.gz MCDRUXULFYODDC-QMMMGPOBSA-N -1 3 266.688 1.688 10 0 CDAEHM C[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2[O-])c2ncnn21 ZINC000617442978 345539107 /nfs/dbraw/zinc/53/91/07/345539107.db2.gz TVMCXFNLBSHBQL-XCBNKYQSSA-N -1 3 274.280 1.125 10 0 CDAEHM CCC(C)(C)[C@H](C)NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000617572388 345861411 /nfs/dbraw/zinc/86/14/11/345861411.db2.gz HJLHZJFBJVOHPQ-QMMMGPOBSA-N -1 3 267.329 1.040 10 0 CDAEHM CC(=O)c1ccc(C(=O)N[C@@H]2Cc3cncn3C2)cc1[O-] ZINC000623258943 345839113 /nfs/dbraw/zinc/83/91/13/345839113.db2.gz KNEXUWXYEYXXTC-LLVKDONJSA-N -1 3 285.303 1.146 10 0 CDAEHM C[C@H]1CC[C@@](C)(CNC(=O)CN2CC(=O)[N-]C2=O)C1(C)C ZINC000617662805 345901820 /nfs/dbraw/zinc/90/18/20/345901820.db2.gz WCMFPZPMUPEZKW-BONVTDFDSA-N -1 3 295.383 1.117 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)C(C)(C)c2c[nH]cn2)n1 ZINC000683919298 482552900 /nfs/dbraw/zinc/55/29/00/482552900.db2.gz FSNGNXHTMNSHTO-UHFFFAOYSA-N -1 3 260.297 1.735 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)C(C)(C)c2cnc[nH]2)n1 ZINC000683919298 482552903 /nfs/dbraw/zinc/55/29/03/482552903.db2.gz FSNGNXHTMNSHTO-UHFFFAOYSA-N -1 3 260.297 1.735 10 0 CDAEHM COC(=O)[C@H](NC(=O)c1cccc(OC)c1[O-])C(C)(C)C ZINC000610229239 346222565 /nfs/dbraw/zinc/22/25/65/346222565.db2.gz JMZTWSKFPXZZMQ-LBPRGKRZSA-N -1 3 295.335 1.718 10 0 CDAEHM COc1ncc(C(=O)Nc2nnc(SC)[n-]2)cc1Cl ZINC000351956187 362710753 /nfs/dbraw/zinc/71/07/53/362710753.db2.gz BECCKDGKPNBUDO-UHFFFAOYSA-N -1 3 299.743 1.836 10 0 CDAEHM COc1ncc(C(=O)Nc2nc(SC)n[n-]2)cc1Cl ZINC000351956187 362710754 /nfs/dbraw/zinc/71/07/54/362710754.db2.gz BECCKDGKPNBUDO-UHFFFAOYSA-N -1 3 299.743 1.836 10 0 CDAEHM COc1ncc(C(=O)Nc2n[n-]c(SC)n2)cc1Cl ZINC000351956187 362710758 /nfs/dbraw/zinc/71/07/58/362710758.db2.gz BECCKDGKPNBUDO-UHFFFAOYSA-N -1 3 299.743 1.836 10 0 CDAEHM CCCN1C(=O)Cc2cc([N-]S(C)(=O)=O)c(F)cc21 ZINC000584605196 346498063 /nfs/dbraw/zinc/49/80/63/346498063.db2.gz DQPNEWQYKUXJPV-UHFFFAOYSA-N -1 3 286.328 1.496 10 0 CDAEHM Nc1cc(=O)[n-]c(-c2cc(F)cc(Br)c2)n1 ZINC000085633154 179108749 /nfs/dbraw/zinc/10/87/49/179108749.db2.gz FTDZMDBVZHNILJ-UHFFFAOYSA-N -1 3 284.088 1.921 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000626660214 346676148 /nfs/dbraw/zinc/67/61/48/346676148.db2.gz VGHKQHBWDQJNNR-UHFFFAOYSA-N -1 3 284.315 2.000 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000085811062 179177732 /nfs/dbraw/zinc/17/77/32/179177732.db2.gz LHEZQSXTUGUJLZ-QMMMGPOBSA-N -1 3 277.107 1.734 10 0 CDAEHM CC(C)[C@H](NC(=O)[C@@H](N)CC(=O)[O-])c1ccc(F)cc1 ZINC000085813113 179178224 /nfs/dbraw/zinc/17/82/24/179178224.db2.gz LLRFDDLGNHZSJJ-AAEUAGOBSA-N -1 3 282.315 1.441 10 0 CDAEHM CCOCc1ccccc1NC(=O)[C@H](N)CCC(=O)[O-] ZINC000085819097 179182321 /nfs/dbraw/zinc/18/23/21/179182321.db2.gz ZUQRUCDQOLLZSS-LLVKDONJSA-N -1 3 280.324 1.354 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000085815575 179179044 /nfs/dbraw/zinc/17/90/44/179179044.db2.gz FENWKZPSSGZTRF-GFCCVEGCSA-N -1 3 280.299 1.119 10 0 CDAEHM C[C@H](NC(=O)[C@H](N)CC(=O)[O-])c1cccc2ccccc21 ZINC000085817565 179180314 /nfs/dbraw/zinc/18/03/14/179180314.db2.gz FIYNMUHYHBJCBF-IINYFYTJSA-N -1 3 286.331 1.819 10 0 CDAEHM CCCCN(C(=O)[C@H](N)CC(=O)[O-])c1ccccc1 ZINC000085818322 179181145 /nfs/dbraw/zinc/18/11/45/179181145.db2.gz PREAAXYRPXIEGH-GFCCVEGCSA-N -1 3 264.325 1.622 10 0 CDAEHM CC1(C)CC[C@@H]1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000612621477 347229823 /nfs/dbraw/zinc/22/98/23/347229823.db2.gz WUISAMDWPNOMHT-CYBMUJFWSA-N -1 3 290.363 1.674 10 0 CDAEHM CC1(C)OC[C@@H]2C[C@@]21C(=O)NCc1ccc([O-])c(F)c1 ZINC000612633033 347231039 /nfs/dbraw/zinc/23/10/39/347231039.db2.gz VDFDHHRJIGMRJO-BONVTDFDSA-N -1 3 279.311 1.963 10 0 CDAEHM CCc1ccc(C(=O)N2CC[C@@]3(O)C[C@H]3C2)c([O-])c1 ZINC000618755279 347270886 /nfs/dbraw/zinc/27/08/86/347270886.db2.gz KOEIJRHUOLCSAM-XHDPSFHLSA-N -1 3 261.321 1.552 10 0 CDAEHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccoc2)no1 ZINC000352063550 362821070 /nfs/dbraw/zinc/82/10/70/362821070.db2.gz OSEIZLINEKYFNU-UHFFFAOYSA-N -1 3 285.325 1.439 10 0 CDAEHM COc1nc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)n[n-]1 ZINC000613196014 347462417 /nfs/dbraw/zinc/46/24/17/347462417.db2.gz MALNSVGXLLFWMM-RKDXNWHRSA-N -1 3 264.329 1.968 10 0 CDAEHM COc1nnc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)[n-]1 ZINC000613196014 347462419 /nfs/dbraw/zinc/46/24/19/347462419.db2.gz MALNSVGXLLFWMM-RKDXNWHRSA-N -1 3 264.329 1.968 10 0 CDAEHM COc1n[n-]c(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)n1 ZINC000613196014 347462422 /nfs/dbraw/zinc/46/24/22/347462422.db2.gz MALNSVGXLLFWMM-RKDXNWHRSA-N -1 3 264.329 1.968 10 0 CDAEHM CC(=O)[C@H](C)CCCCC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000275104812 365922471 /nfs/dbraw/zinc/92/24/71/365922471.db2.gz DUGLHKRJDICRQW-MRVPVSSYSA-N -1 3 295.339 1.920 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)[C@]23C[C@H]2COC3(C)C)n1 ZINC000614163504 348005973 /nfs/dbraw/zinc/00/59/73/348005973.db2.gz CRSRYTYXIDLIOP-XPTSAGLGSA-N -1 3 262.309 1.849 10 0 CDAEHM COCC[C@H](COC)NC(=O)c1cc(SC)ccc1[O-] ZINC000615048190 348319106 /nfs/dbraw/zinc/31/91/06/348319106.db2.gz KNSKOCUYLJCRTC-SNVBAGLBSA-N -1 3 299.392 1.895 10 0 CDAEHM CSc1ccc([O-])c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1 ZINC000615182531 348375772 /nfs/dbraw/zinc/37/57/72/348375772.db2.gz KFEJETYNCXYDOW-MFKMUULPSA-N -1 3 292.404 1.890 10 0 CDAEHM CCOC(=O)c1nnc(CNC(=O)C2CCCCCC2)[n-]1 ZINC000616029866 349257976 /nfs/dbraw/zinc/25/79/76/349257976.db2.gz JOBGQYBOLBPICR-UHFFFAOYSA-N -1 3 294.355 1.568 10 0 CDAEHM COc1cc(C(=O)NCC2CSC2)ccc1[O-] ZINC000616054186 349271095 /nfs/dbraw/zinc/27/10/95/349271095.db2.gz DAELVBIISGQIDS-UHFFFAOYSA-N -1 3 253.323 1.494 10 0 CDAEHM CCCNC(=O)CN(CCC)Cc1nc(C)ccc1[O-] ZINC000092192104 180341015 /nfs/dbraw/zinc/34/10/15/180341015.db2.gz DEXCJJJRABESRZ-UHFFFAOYSA-N -1 3 279.384 1.834 10 0 CDAEHM Cc1cc(Cl)ccc1OC(=O)CN1CC(=O)[N-]C1=O ZINC000110043477 186282642 /nfs/dbraw/zinc/28/26/42/186282642.db2.gz JFBVQGAIBSPSJF-UHFFFAOYSA-N -1 3 282.683 1.106 10 0 CDAEHM C[C@]1(C(=O)Nc2nnc(SCCO)[n-]2)C[C@H]2C[C@H]2C1 ZINC000621915929 350854979 /nfs/dbraw/zinc/85/49/79/350854979.db2.gz SJZFEHCBWANZDO-JDICNCQASA-N -1 3 282.369 1.264 10 0 CDAEHM C[C@]1(C(=O)Nc2nc(SCCO)n[n-]2)C[C@H]2C[C@H]2C1 ZINC000621915929 350854981 /nfs/dbraw/zinc/85/49/81/350854981.db2.gz SJZFEHCBWANZDO-JDICNCQASA-N -1 3 282.369 1.264 10 0 CDAEHM C[C@]1(C(=O)Nc2n[n-]c(SCCO)n2)C[C@H]2C[C@H]2C1 ZINC000621915929 350854985 /nfs/dbraw/zinc/85/49/85/350854985.db2.gz SJZFEHCBWANZDO-JDICNCQASA-N -1 3 282.369 1.264 10 0 CDAEHM CN1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1=O ZINC000621943067 350877695 /nfs/dbraw/zinc/87/76/95/350877695.db2.gz QPVIJALVHFURRR-UHFFFAOYSA-N -1 3 288.225 1.283 10 0 CDAEHM O=C(c1cc(F)c[n-]c1=O)N1CC2(CC2(F)F)C1 ZINC000622128235 351024240 /nfs/dbraw/zinc/02/42/40/351024240.db2.gz VRZPGKALBBCNDR-UHFFFAOYSA-N -1 3 258.199 1.408 10 0 CDAEHM COc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2O)c1[O-] ZINC000051990594 363071167 /nfs/dbraw/zinc/07/11/67/363071167.db2.gz BDJGYLMWNGLGCO-MNOVXSKESA-N -1 3 265.309 1.434 10 0 CDAEHM CN1CCC[C@H]1CNC(=O)c1cc(F)ccc1[O-] ZINC000175206334 366050962 /nfs/dbraw/zinc/05/09/62/366050962.db2.gz QEJOTMSGFRMRBI-JTQLQIEISA-N -1 3 252.289 1.355 10 0 CDAEHM Cn1ccc(S(=O)(=O)[N-][C@H](C2CCC2)[C@H]2CCCO2)n1 ZINC000632706182 363099117 /nfs/dbraw/zinc/09/91/17/363099117.db2.gz YFLIYXUHBXZQRX-DGCLKSJQSA-N -1 3 299.396 1.046 10 0 CDAEHM CCN1CCCN(C(=O)N=c2[n-]nc(C)s2)[C@H](C)C1 ZINC000631477511 363105661 /nfs/dbraw/zinc/10/56/61/363105661.db2.gz GGPOGZCDOASVFP-SECBINFHSA-N -1 3 283.401 1.216 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(C)C)c1 ZINC000451919676 363187150 /nfs/dbraw/zinc/18/71/50/363187150.db2.gz TUWKSAJIYKRBFL-QWRGUYRKSA-N -1 3 271.386 1.473 10 0 CDAEHM Cc1ccc(N(C)C(=O)CN2CC(=O)[N-]C2=O)cc1Cl ZINC000134941993 187784187 /nfs/dbraw/zinc/78/41/87/187784187.db2.gz ZRXQMRMAMGLMSK-UHFFFAOYSA-N -1 3 295.726 1.163 10 0 CDAEHM CCNC(=O)N1CC[C@H](NC(=O)c2cc(C)ccc2[O-])C1 ZINC000158004666 188351605 /nfs/dbraw/zinc/35/16/05/188351605.db2.gz UPVJQOVGYMEEEG-NSHDSACASA-N -1 3 291.351 1.234 10 0 CDAEHM CO[C@H]1C[C@@H](N(C)C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000451680704 363240729 /nfs/dbraw/zinc/24/07/29/363240729.db2.gz MOHQXYBVSJRGTR-PHIMTYICSA-N -1 3 267.300 1.710 10 0 CDAEHM CC(C)N(Cc1cccs1)C(=O)CN1CC(=O)[N-]C1=O ZINC000265466054 363324085 /nfs/dbraw/zinc/32/40/85/363324085.db2.gz VNWDRVVYCCFMSH-UHFFFAOYSA-N -1 3 295.364 1.037 10 0 CDAEHM CCOC[C@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)C(C)C ZINC000632267446 358483614 /nfs/dbraw/zinc/48/36/14/358483614.db2.gz AIOHYJKGDFVIFE-QMMMGPOBSA-N -1 3 294.398 1.188 10 0 CDAEHM C[C@H]1CCCCCN1C(=O)CNC(=O)c1cccc([O-])c1 ZINC000336315557 363348929 /nfs/dbraw/zinc/34/89/29/363348929.db2.gz TWRBAAFJSSLYFD-LBPRGKRZSA-N -1 3 290.363 1.913 10 0 CDAEHM CCc1cccc(C(=O)N[C@H]2CCCN(C)C2)c1[O-] ZINC000081754888 538229886 /nfs/dbraw/zinc/22/98/86/538229886.db2.gz MBJMYXLVOQXPMA-LBPRGKRZSA-N -1 3 262.353 1.779 10 0 CDAEHM COc1cnccc1[C@@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000189550559 366169527 /nfs/dbraw/zinc/16/95/27/366169527.db2.gz MCRIJGXTOVDEQJ-SECBINFHSA-N -1 3 297.318 1.853 10 0 CDAEHM COc1cnccc1[C@@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000189550559 366169534 /nfs/dbraw/zinc/16/95/34/366169534.db2.gz MCRIJGXTOVDEQJ-SECBINFHSA-N -1 3 297.318 1.853 10 0 CDAEHM COc1cnccc1[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000189550559 366169540 /nfs/dbraw/zinc/16/95/40/366169540.db2.gz MCRIJGXTOVDEQJ-SECBINFHSA-N -1 3 297.318 1.853 10 0 CDAEHM COc1cc(C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)ccc1[O-] ZINC000629765641 363416880 /nfs/dbraw/zinc/41/68/80/363416880.db2.gz CDOZHLACCDVNKP-MRCXROJRSA-N -1 3 277.320 1.386 10 0 CDAEHM O=C(N[C@H]1CN(c2ccccc2)C1=O)c1cccc([O-])c1 ZINC000336409222 363518665 /nfs/dbraw/zinc/51/86/65/363518665.db2.gz JFBKFPCKWFFGQW-AWEZNQCLSA-N -1 3 282.299 1.537 10 0 CDAEHM CC(C)(C)OC(=O)c1nn[n-]c1-c1cnns1 ZINC000725266361 538457283 /nfs/dbraw/zinc/45/72/83/538457283.db2.gz NWWMUZWDLUBLSL-UHFFFAOYSA-N -1 3 253.287 1.279 10 0 CDAEHM CC(C)(C)OC(=O)c1[n-]nnc1-c1cnns1 ZINC000725266361 538457285 /nfs/dbraw/zinc/45/72/85/538457285.db2.gz NWWMUZWDLUBLSL-UHFFFAOYSA-N -1 3 253.287 1.279 10 0 CDAEHM CCOCCO[C@@H](C)C(=O)[N-]c1onc(C)c1C ZINC000266175680 363507339 /nfs/dbraw/zinc/50/73/39/363507339.db2.gz LAFVSJSISMJCFG-JTQLQIEISA-N -1 3 256.302 1.672 10 0 CDAEHM CCc1cc(C(=O)N[C@H]2CCc3[nH]cnc3C2)ccc1[O-] ZINC000336416236 363526777 /nfs/dbraw/zinc/52/67/77/363526777.db2.gz MVRIQZIIAVSAFV-LBPRGKRZSA-N -1 3 285.347 1.965 10 0 CDAEHM CCc1cc(C(=O)N[C@H]2CCc3nc[nH]c3C2)ccc1[O-] ZINC000336416236 363526784 /nfs/dbraw/zinc/52/67/84/363526784.db2.gz MVRIQZIIAVSAFV-LBPRGKRZSA-N -1 3 285.347 1.965 10 0 CDAEHM O=S(=O)([N-][C@H]1CCC[C@@H](C(F)(F)F)C1)c1c[nH]cn1 ZINC000070417747 356890420 /nfs/dbraw/zinc/89/04/20/356890420.db2.gz SEJUAROBJUOTPN-SFYZADRCSA-N -1 3 297.302 1.809 10 0 CDAEHM CC[C@@](C)(CO)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000080877032 357018576 /nfs/dbraw/zinc/01/85/76/357018576.db2.gz GDRXKEZZYDBENI-HNNXBMFYSA-N -1 3 274.320 1.419 10 0 CDAEHM Nc1cc([O-])c(F)cc1I ZINC000575726233 357345355 /nfs/dbraw/zinc/34/53/55/357345355.db2.gz OABPAEZCCHTWHC-UHFFFAOYSA-N -1 3 253.014 1.718 10 0 CDAEHM CCCC[C@H](NC(=O)c1cccc([O-])c1)C(=O)OC ZINC000059673268 357432736 /nfs/dbraw/zinc/43/27/36/357432736.db2.gz VVLQZIKTYYNLJY-LBPRGKRZSA-N -1 3 265.309 1.854 10 0 CDAEHM CCC(CC)(CO)C[N-]S(=O)(=O)c1cscn1 ZINC000569335854 357457703 /nfs/dbraw/zinc/45/77/03/357457703.db2.gz CCQPJPUATHMVMH-UHFFFAOYSA-N -1 3 278.399 1.220 10 0 CDAEHM O=S(=O)([N-]C[C@H]1CCC[C@@H]1O)c1ccc(F)cc1F ZINC000089165803 357489044 /nfs/dbraw/zinc/48/90/44/357489044.db2.gz PEVNENNNSWYWHX-KCJUWKMLSA-N -1 3 291.319 1.404 10 0 CDAEHM O=C1[N-]C(=O)C2(CCC2)C(=O)N1Cc1ccccc1 ZINC000156844578 357525503 /nfs/dbraw/zinc/52/55/03/357525503.db2.gz BCVWBDPQIGURDG-UHFFFAOYSA-N -1 3 258.277 1.435 10 0 CDAEHM Cc1cccc2c(=O)c(C(=O)N3CCNC(=O)CC3)c[n-]c12 ZINC000185411977 357539834 /nfs/dbraw/zinc/53/98/34/357539834.db2.gz MOBMQCHNPNHJEO-UHFFFAOYSA-N -1 3 299.330 1.211 10 0 CDAEHM COCCOCCN(C)Cc1nc(C)ccc1[O-] ZINC000290268205 357636297 /nfs/dbraw/zinc/63/62/97/357636297.db2.gz XPCRUDYJGPFNDE-UHFFFAOYSA-N -1 3 254.330 1.190 10 0 CDAEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]2O)sc1Cl ZINC000335549290 357698493 /nfs/dbraw/zinc/69/84/93/357698493.db2.gz JTBZMYWFGUNQFK-RNFRBKRXSA-N -1 3 281.786 1.512 10 0 CDAEHM C/C=C\C[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000625557234 357884927 /nfs/dbraw/zinc/88/49/27/357884927.db2.gz NHLLYUGJROWBLX-WAYWQWQTSA-N -1 3 286.353 1.144 10 0 CDAEHM O=C(Cc1ccc(Br)cc1[O-])NC1CC1 ZINC000336464082 363600531 /nfs/dbraw/zinc/60/05/31/363600531.db2.gz ICMQGJSVGCJWID-UHFFFAOYSA-N -1 3 270.126 1.976 10 0 CDAEHM CNC(=O)[C@H]1CCCN1C(=O)c1ccc(C)cc1[O-] ZINC000042396910 358942536 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291.351 1.708 10 0 CDAEHM CCOc1nc2ccc(C(=O)N[C@H](C)[C@@H](C)CO)cc2[n-]1 ZINC000346818897 153312270 /nfs/dbraw/zinc/31/22/70/153312270.db2.gz CSOLYXJZMCPEFB-VHSXEESVSA-N -1 3 291.351 1.708 10 0 CDAEHM C[C@@H]1CC[C@H](CN2CCC(c3n[nH]c(=O)[n-]3)CC2)O1 ZINC000377606702 296706460 /nfs/dbraw/zinc/70/64/60/296706460.db2.gz NROPEXYZEOOONR-MWLCHTKSSA-N -1 3 266.345 1.257 10 0 CDAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccsc1 ZINC000351896227 154804706 /nfs/dbraw/zinc/80/47/06/154804706.db2.gz XCZYBCUAKIEMQZ-UHFFFAOYSA-N -1 3 277.305 1.104 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1ncccc1Cl ZINC000352212731 155026540 /nfs/dbraw/zinc/02/65/40/155026540.db2.gz RNBAASGZGJQDDH-UHFFFAOYSA-N -1 3 263.684 1.766 10 0 CDAEHM CCn1nc(C)c(CC(=O)NCc2ncccc2[O-])c1C ZINC000352221261 155035101 /nfs/dbraw/zinc/03/51/01/155035101.db2.gz LIPLVIPCICNCFY-UHFFFAOYSA-N -1 3 288.351 1.479 10 0 CDAEHM O=C(NCc1cscn1)c1c[n-]nc1-c1ccccn1 ZINC000353777510 156076732 /nfs/dbraw/zinc/07/67/32/156076732.db2.gz KYDSAWSBIDLCTM-UHFFFAOYSA-N -1 3 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/nfs/dbraw/zinc/83/21/31/534832131.db2.gz LEKJSIZWRJYHDV-SNAWJCMRSA-N -1 3 288.307 1.712 10 0 CDAEHM Cc1cc([N-]C(=O)[C@@H](C)N(C)Cc2cnccn2)on1 ZINC000080965407 525206943 /nfs/dbraw/zinc/20/69/43/525206943.db2.gz FLCKQCKWSNNCIT-SNVBAGLBSA-N -1 3 275.312 1.232 10 0 CDAEHM Cc1ccc(NC(=O)c2nnc(N)[n-]2)cc1Cl ZINC000055163939 525257966 /nfs/dbraw/zinc/25/79/66/525257966.db2.gz UZODTEVJJGBXJL-UHFFFAOYSA-N -1 3 251.677 1.601 10 0 CDAEHM Cc1ccc(NC(=O)c2nc(N)n[n-]2)cc1Cl ZINC000055163939 525257970 /nfs/dbraw/zinc/25/79/70/525257970.db2.gz UZODTEVJJGBXJL-UHFFFAOYSA-N -1 3 251.677 1.601 10 0 CDAEHM Cc1ccc(NC(=O)c2n[n-]c(N)n2)cc1Cl ZINC000055163939 525257975 /nfs/dbraw/zinc/25/79/75/525257975.db2.gz UZODTEVJJGBXJL-UHFFFAOYSA-N -1 3 251.677 1.601 10 0 CDAEHM Cc1ccc([N-]S(=O)(=O)c2cccnc2N)c(F)c1 ZINC000050631582 525307906 /nfs/dbraw/zinc/30/79/06/525307906.db2.gz TWJJBHVHIQOJGB-UHFFFAOYSA-N -1 3 281.312 1.912 10 0 CDAEHM CSCC[C@@H](NC(=O)[C@@H](CN)c1ccccc1)C(=O)[O-] ZINC000061612413 525550587 /nfs/dbraw/zinc/55/05/87/525550587.db2.gz NTQBXNUNENYHKB-NWDGAFQWSA-N -1 3 296.392 1.051 10 0 CDAEHM Cc1ccc(C(=O)[O-])c(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000054530942 526233590 /nfs/dbraw/zinc/23/35/90/526233590.db2.gz OOXBFTSZIPYAPS-SNVBAGLBSA-N -1 3 261.325 1.737 10 0 CDAEHM O=C([O-])[C@H](NC[C@@H]1CCCO1)c1cc(F)c(F)c(F)c1 ZINC000062713536 526313524 /nfs/dbraw/zinc/31/35/24/526313524.db2.gz WTVCTAZQXDLNBG-QPUJVOFHSA-N -1 3 289.253 1.998 10 0 CDAEHM Nc1nnc(C(=O)Nc2ccccc2OC(F)F)[n-]1 ZINC000055164650 527547552 /nfs/dbraw/zinc/54/75/52/527547552.db2.gz GJUIZKQJAZJSLZ-UHFFFAOYSA-N -1 3 269.211 1.241 10 0 CDAEHM Nc1n[n-]c(C(=O)Nc2ccccc2OC(F)F)n1 ZINC000055164650 527547558 /nfs/dbraw/zinc/54/75/58/527547558.db2.gz GJUIZKQJAZJSLZ-UHFFFAOYSA-N -1 3 269.211 1.241 10 0 CDAEHM Nc1nc(C(=O)Nc2ccccc2OC(F)F)n[n-]1 ZINC000055164650 527547560 /nfs/dbraw/zinc/54/75/60/527547560.db2.gz GJUIZKQJAZJSLZ-UHFFFAOYSA-N -1 3 269.211 1.241 10 0 CDAEHM O=C([O-])C[C@@H](NCc1c[nH]cn1)c1cccs1 ZINC000054764769 527626149 /nfs/dbraw/zinc/62/61/49/527626149.db2.gz LRJKMXCQMVDVDR-SECBINFHSA-N -1 3 251.311 1.777 10 0 CDAEHM O=C([O-])C[C@@H](NCc1cnc[nH]1)c1cccs1 ZINC000054764769 527626155 /nfs/dbraw/zinc/62/61/55/527626155.db2.gz LRJKMXCQMVDVDR-SECBINFHSA-N -1 3 251.311 1.777 10 0 CDAEHM CCN1CCC[C@H](N=c2[n-]nc(-c3ccon3)s2)C1 ZINC000329329352 535569816 /nfs/dbraw/zinc/56/98/16/535569816.db2.gz VFHRMQVMSDFTMZ-VIFPVBQESA-N -1 3 279.369 1.511 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N2CC[C@@]23CCOC3)c1 ZINC000422063005 536190622 /nfs/dbraw/zinc/19/06/22/536190622.db2.gz CXSIQSKCCTYNDB-HNNXBMFYSA-N -1 3 261.321 1.960 10 0 CDAEHM COc1ncccc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119749761 537156082 /nfs/dbraw/zinc/15/60/82/537156082.db2.gz HSRNPYDRINSRBI-UHFFFAOYSA-N -1 3 298.306 1.466 10 0 CDAEHM COc1ncccc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119749761 537156086 /nfs/dbraw/zinc/15/60/86/537156086.db2.gz HSRNPYDRINSRBI-UHFFFAOYSA-N -1 3 298.306 1.466 10 0 CDAEHM Oc1[n-]c(SCCO[C@@H]2CC2(F)F)nc2nncc1-2 ZINC000663946759 574439268 /nfs/dbraw/zinc/43/92/68/574439268.db2.gz ZIKOAZGDVCBRIE-ZCFIWIBFSA-N -1 3 288.279 1.575 10 0 CDAEHM O=C([N-]CCCS[C@H]1CCCNC1=O)C(F)(F)F ZINC000774679980 575226890 /nfs/dbraw/zinc/22/68/90/575226890.db2.gz OHXZUPJLMATQLH-ZETCQYMHSA-N -1 3 284.303 1.067 10 0 CDAEHM O=C(OC[C@H]1COCCO1)c1cc(Cl)c(Cl)[n-]1 ZINC000729105669 574718832 /nfs/dbraw/zinc/71/88/32/574718832.db2.gz IWURIRDRXWSLQH-ZCFIWIBFSA-N -1 3 280.107 1.894 10 0 CDAEHM C[C@@H]1CCC[C@@H](C)N1CC[N-]C(=O)C(F)(F)F ZINC000730787291 575008219 /nfs/dbraw/zinc/00/82/19/575008219.db2.gz URJHVMKPUIXUKT-RKDXNWHRSA-N -1 3 252.280 1.928 10 0 CDAEHM O=C([N-]CCCN1CC2(C1)CC(F)(F)C2)C(F)(F)F ZINC000774763127 575240034 /nfs/dbraw/zinc/24/00/34/575240034.db2.gz XKOWNLWJNKKAHP-UHFFFAOYSA-N -1 3 286.244 1.786 10 0 CDAEHM CC/C=C(\C)C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000773395305 575806965 /nfs/dbraw/zinc/80/69/65/575806965.db2.gz ZUXRZWIKXDHYRZ-OLKPEBQYSA-N -1 3 263.345 1.247 10 0 CDAEHM C[C@@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)C1CC1 ZINC000764387590 575901806 /nfs/dbraw/zinc/90/18/06/575901806.db2.gz HOHQQPREXPYESK-SCZZXKLOSA-N -1 3 277.386 1.292 10 0 CDAEHM O=C([N-]Cc1cc[nH]n1)C(F)(F)c1ccccc1F ZINC000765627704 576045760 /nfs/dbraw/zinc/04/57/60/576045760.db2.gz MBPOTFYNRGUIPD-UHFFFAOYSA-N -1 3 269.226 1.957 10 0 CDAEHM O=C([N-][C@H]1CC[S@@](=O)C1)C(F)(F)c1ccccc1F ZINC000765844946 576060515 /nfs/dbraw/zinc/06/05/15/576060515.db2.gz VFLKUHRORNUJLO-WPCRTTGESA-N -1 3 291.294 1.555 10 0 CDAEHM C[C@@H](CO)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000766731658 576129223 /nfs/dbraw/zinc/12/92/23/576129223.db2.gz DQTQPYYBVYWDKM-LURJTMIESA-N -1 3 262.664 1.970 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)c2ccc[nH]2)c1 ZINC000760406926 576481751 /nfs/dbraw/zinc/48/17/51/576481751.db2.gz UKLMVSBAHORUSC-VIFPVBQESA-N -1 3 268.342 1.271 10 0 CDAEHM Cc1cc([N-]C(=O)[C@@H](C)OC(=O)/C=C/C2CC2)on1 ZINC000745554861 576734277 /nfs/dbraw/zinc/73/42/77/576734277.db2.gz RDVIZJWAJMMCMV-VUHVRTRXSA-N -1 3 264.281 1.819 10 0 CDAEHM O=C(/C=C\C1CC1)OCC(=O)[N-]C(=O)c1cccs1 ZINC000745559569 576734569 /nfs/dbraw/zinc/73/45/69/576734569.db2.gz WARROKSNEKMTJO-WAYWQWQTSA-N -1 3 279.317 1.514 10 0 CDAEHM CC(C)CO[N-]C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000750354605 576985343 /nfs/dbraw/zinc/98/53/43/576985343.db2.gz SLXRNBHARVQPLP-LBPRGKRZSA-N -1 3 291.351 1.999 10 0 CDAEHM C/C=C(\C)C(=O)OCC(=O)N=c1cc[n-]n1[C@H](C)C1CC1 ZINC000750901442 577014405 /nfs/dbraw/zinc/01/44/05/577014405.db2.gz SPUJJVAMCRZULH-CYIYFQGNSA-N -1 3 291.351 1.724 10 0 CDAEHM Nc1nc(N2CCOCC2)[n-]c(=O)c1-c1ccc(F)cc1 ZINC000757180282 577033697 /nfs/dbraw/zinc/03/36/97/577033697.db2.gz ZMAVTNAJHNKBDL-UHFFFAOYSA-N -1 3 290.298 1.407 10 0 CDAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H](C)C1CCCCC1 ZINC000866865378 617434864 /nfs/dbraw/zinc/43/48/64/617434864.db2.gz YUDDOQPLFWFVBE-BMLIUANNSA-N -1 3 296.458 1.907 10 0 CDAEHM CCOC(=O)c1nc([C@@H](C)NCc2cncn2CC)n[n-]1 ZINC000895240631 619482492 /nfs/dbraw/zinc/48/24/92/619482492.db2.gz BYNVERUCWRHWQN-SECBINFHSA-N -1 3 292.343 1.049 10 0 CDAEHM CCOC(=O)c1nnc([C@@H](C)NCc2cncn2CC)[n-]1 ZINC000895240631 619482493 /nfs/dbraw/zinc/48/24/93/619482493.db2.gz BYNVERUCWRHWQN-SECBINFHSA-N -1 3 292.343 1.049 10 0 CDAEHM CCOC(=O)c1n[n-]c([C@@H](C)NCc2cncn2CC)n1 ZINC000895240631 619482495 /nfs/dbraw/zinc/48/24/95/619482495.db2.gz BYNVERUCWRHWQN-SECBINFHSA-N -1 3 292.343 1.049 10 0 CDAEHM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(C)nn2)C1(C)C ZINC000866905038 620315371 /nfs/dbraw/zinc/31/53/71/620315371.db2.gz WBIBANRLLQNEJO-MFKMUULPSA-N -1 3 299.396 1.267 10 0 CDAEHM CC1(C)COC[C@H]1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000840727871 620582019 /nfs/dbraw/zinc/58/20/19/620582019.db2.gz HONAOEYQTPAXCC-BWODNOAJSA-N -1 3 286.331 1.312 10 0 CDAEHM O=C(CCc1ccco1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898204951 621361693 /nfs/dbraw/zinc/36/16/93/621361693.db2.gz FZVKCWLNPCIAPN-JTQLQIEISA-N -1 3 275.308 1.657 10 0 CDAEHM CC(C)SCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898211961 621366610 /nfs/dbraw/zinc/36/66/10/621366610.db2.gz ZEEXWYKEYYLGGX-SECBINFHSA-N -1 3 269.370 1.573 10 0 CDAEHM C[C@@]1(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)CCCO1 ZINC000898216221 621368354 /nfs/dbraw/zinc/36/83/54/621368354.db2.gz NZFLZCXAYVRPGE-RNCFNFMXSA-N -1 3 265.313 1.000 10 0 CDAEHM O=C(C1SCCS1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217440 621369781 /nfs/dbraw/zinc/36/97/81/621369781.db2.gz KVKRLEJPEPDVTM-SSDOTTSWSA-N -1 3 285.394 1.237 10 0 CDAEHM CC(=O)C(C)(C)CCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217297 621369946 /nfs/dbraw/zinc/36/99/46/621369946.db2.gz HUWXJYSZVKGDBJ-NSHDSACASA-N -1 3 293.367 1.827 10 0 CDAEHM CSC1(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)CC1 ZINC000898220446 621372354 /nfs/dbraw/zinc/37/23/54/621372354.db2.gz BMJXTZQZTRFRAJ-QMMMGPOBSA-N -1 3 267.354 1.327 10 0 CDAEHM O=C(N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)C1(C(F)F)CCC1 ZINC000898224871 621413813 /nfs/dbraw/zinc/41/38/13/621413813.db2.gz BCJQJABOLLWCIX-MRVPVSSYSA-N -1 3 285.294 1.867 10 0 CDAEHM CCc1cccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)n1 ZINC000898228041 621417605 /nfs/dbraw/zinc/41/76/05/621417605.db2.gz XBDVRNRYJDRYMI-JTQLQIEISA-N -1 3 286.335 1.702 10 0 CDAEHM O=C(Nc1ccc(CO)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000898590885 621803856 /nfs/dbraw/zinc/80/38/56/621803856.db2.gz CQPGSBVVPRICDQ-UHFFFAOYSA-N -1 3 285.303 1.804 10 0 CDAEHM C[C@]1(C(=O)NCCCc2c[n-][nH]c2=O)C[C@H]2C[C@H]2C1 ZINC000898743953 621853740 /nfs/dbraw/zinc/85/37/40/621853740.db2.gz VTLGTPHJIZSIFR-PUHVVEEASA-N -1 3 263.341 1.051 10 0 CDAEHM CO[C@]1(C(=O)[O-])CCN(Cc2cnc3c(C)cccn23)C1 ZINC000901542664 624327490 /nfs/dbraw/zinc/32/74/90/624327490.db2.gz RCIMZUMHWBPCRK-OAHLLOKOSA-N -1 3 289.335 1.318 10 0 CDAEHM CCOC(=O)c1cc(-c2ncn3c2CCCC3)[n-]n1 ZINC000906178614 627144444 /nfs/dbraw/zinc/14/44/44/627144444.db2.gz KMTRSMMKXKVJAI-UHFFFAOYSA-N -1 3 260.297 1.786 10 0 CDAEHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1CCO[C@H]1C1CC1 ZINC000906376676 627198663 /nfs/dbraw/zinc/19/86/63/627198663.db2.gz PUUCELDSVPJDHG-RQJHMYQMSA-N -1 3 290.245 1.577 10 0 CDAEHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1CCO[C@H]1C1CC1 ZINC000906376676 627198666 /nfs/dbraw/zinc/19/86/66/627198666.db2.gz PUUCELDSVPJDHG-RQJHMYQMSA-N -1 3 290.245 1.577 10 0 CDAEHM CCCCC[C@H](NC(=O)N[C@H]1CCCN(C)C1)C(=O)[O-] ZINC000908871393 628395884 /nfs/dbraw/zinc/39/58/84/628395884.db2.gz RBUUZNPFNSCKNG-RYUDHWBXSA-N -1 3 285.388 1.413 10 0 CDAEHM C[C@H]1CC[C@@](NC(=O)N[C@@H]2CCCN(C)C2)(C(=O)[O-])CC1 ZINC000908871408 628395993 /nfs/dbraw/zinc/39/59/93/628395993.db2.gz RDYOZVOXCSLXLI-LALPHHSUSA-N -1 3 297.399 1.413 10 0 CDAEHM C[C@@H](CNC(=O)c1cc(C(=O)[O-])on1)N1CCCC[C@@H]1C ZINC000911195233 629194054 /nfs/dbraw/zinc/19/40/54/629194054.db2.gz XNUBWUNVTATDSF-UWVGGRQHSA-N -1 3 295.339 1.366 10 0 CDAEHM O=C(C=Cc1ccco1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911852212 629590756 /nfs/dbraw/zinc/59/07/56/629590756.db2.gz KJHADFOECIITAS-HMDXOVGESA-N -1 3 273.292 1.738 10 0 CDAEHM O=C(c1ccc(F)nc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911852701 629591585 /nfs/dbraw/zinc/59/15/85/629591585.db2.gz OSEWLQHRTMGGKP-SECBINFHSA-N -1 3 276.271 1.279 10 0 CDAEHM O=C(c1cccc(O)c1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911853169 629591593 /nfs/dbraw/zinc/59/15/93/629591593.db2.gz RYBNXOOGYXOMNM-JTQLQIEISA-N -1 3 273.292 1.451 10 0 CDAEHM O=C(c1cccc(CO)c1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911856072 629594845 /nfs/dbraw/zinc/59/48/45/629594845.db2.gz TWIWMCMCMQUPOR-LBPRGKRZSA-N -1 3 287.319 1.237 10 0 CDAEHM COc1ccc(C(=O)N2CCNC(=O)CC2(C)C)c([O-])c1 ZINC000913068620 630358283 /nfs/dbraw/zinc/35/82/83/630358283.db2.gz KCCSQRVVCDLQEL-UHFFFAOYSA-N -1 3 292.335 1.142 10 0 CDAEHM CC(F)(F)CCCS(=O)(=O)[N-]CC(F)F ZINC000914210811 631257878 /nfs/dbraw/zinc/25/78/78/631257878.db2.gz WCXJIAWADYKUAS-UHFFFAOYSA-N -1 3 251.245 1.606 10 0 CDAEHM Cc1nc(C)c(CSc2nc3c(cnn3C)c(=O)[n-]2)[nH]1 ZINC000918181206 632339028 /nfs/dbraw/zinc/33/90/28/632339028.db2.gz PVFDQGPIZKSQIV-UHFFFAOYSA-N -1 3 290.352 1.701 10 0 CDAEHM O=S(=O)(CC1(F)CC1)[N-]Cc1cc(C(F)F)on1 ZINC000921335496 632934666 /nfs/dbraw/zinc/93/46/66/632934666.db2.gz LHJBXXDWDOOQTI-UHFFFAOYSA-N -1 3 284.259 1.534 10 0 CDAEHM COC(=O)Cc1occc1C(=O)[N-]c1c(F)ccnc1F ZINC001129484379 1162477848 /nfs/dbraw/zinc/47/78/48/1162477848.db2.gz WMYUGJIXMUPHOR-UHFFFAOYSA-N -1 3 296.229 1.921 10 0 CDAEHM CO[N-]C(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000084741063 1158596686 /nfs/dbraw/zinc/59/66/86/1158596686.db2.gz DJTBTCPPXUAUFI-VHSXEESVSA-N -1 3 272.345 1.748 10 0 CDAEHM CC(C)n1cnc([N-]C(=O)c2cnn(-c3ccccc3)n2)n1 ZINC001616372117 1165567824 /nfs/dbraw/zinc/56/78/24/1165567824.db2.gz AOASENBATRFXPU-UHFFFAOYSA-N -1 3 297.322 1.692 10 0 CDAEHM Cc1c(F)ccc(N)c1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC001625583889 1165917035 /nfs/dbraw/zinc/91/70/35/1165917035.db2.gz KMAQMZZMGGTPHD-UHFFFAOYSA-N -1 3 292.314 1.102 10 0 CDAEHM CC(C)c1nocc1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001628259260 1166057375 /nfs/dbraw/zinc/05/73/75/1166057375.db2.gz SYDAXVNAOMVWCU-UHFFFAOYSA-N -1 3 294.336 1.512 10 0 CDAEHM Cn1[nH]cnc1=NC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001631180486 1166256458 /nfs/dbraw/zinc/25/64/58/1166256458.db2.gz XAEMNUHRZHQBKS-UHFFFAOYSA-N -1 3 292.249 1.303 10 0 CDAEHM COC(=O)c1ccc(C(=O)Nc2nccc3cc[nH]c32)[n-]1 ZINC001633128668 1166404008 /nfs/dbraw/zinc/40/40/08/1166404008.db2.gz UWOCTFCKWLLPEZ-UHFFFAOYSA-N -1 3 284.275 1.930 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)C=Cc2cnccc2C)n1 ZINC001644279694 1167305029 /nfs/dbraw/zinc/30/50/29/1167305029.db2.gz NGGJYXNYEQSIRD-ONEGZZNKSA-N -1 3 284.319 1.524 10 0 CDAEHM CO[C@H]1CC[C@H](C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001645944063 1167580062 /nfs/dbraw/zinc/58/00/62/1167580062.db2.gz TUTQDAYSIMUJLY-JQWIXIFHSA-N -1 3 292.335 1.918 10 0 CDAEHM O=C([O-])[C@H](O)CNCc1cccc(F)c1OC(F)(F)F ZINC001647415955 1168666499 /nfs/dbraw/zinc/66/64/99/1168666499.db2.gz IYVJGPLGSIJXCQ-MRVPVSSYSA-N -1 3 297.204 1.259 10 0 CDAEHM COC(=O)c1cc(C(=O)OC[C@]23CCC[C@@H]2OCC3)c[n-]1 ZINC001650494338 1171123987 /nfs/dbraw/zinc/12/39/87/1171123987.db2.gz GTGWHEVMAAKFMZ-SWLSCSKDSA-N -1 3 293.319 1.917 10 0 CDAEHM CCc1coc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)n1 ZINC001651010640 1171278191 /nfs/dbraw/zinc/27/81/91/1171278191.db2.gz DUDDEDQDVYNYMG-UHFFFAOYSA-N -1 3 285.259 1.373 10 0 CDAEHM c1[n-][nH]c2ncnc(=NC[C@@H]3CSc4ccccc4O3)c1-2 ZINC001651184998 1171299533 /nfs/dbraw/zinc/29/95/33/1171299533.db2.gz SEXHDEYNPKXWFQ-SECBINFHSA-N -1 3 299.359 1.692 10 0 CDAEHM O=C(Nc1cc(Cl)cc2c[nH]nc21)c1cnn[n-]1 ZINC001654855758 1171645210 /nfs/dbraw/zinc/64/52/10/1171645210.db2.gz ZQDPHFNQQNUERV-UHFFFAOYSA-N -1 3 262.660 1.587 10 0 CDAEHM O=C(Nc1cc(Cl)cc2c[nH]nc21)c1c[n-]nn1 ZINC001654855758 1171645216 /nfs/dbraw/zinc/64/52/16/1171645216.db2.gz ZQDPHFNQQNUERV-UHFFFAOYSA-N -1 3 262.660 1.587 10 0 CDAEHM O=C(Nc1cc(Cl)cc2c[nH]nc21)c1cn[n-]n1 ZINC001654855758 1171645219 /nfs/dbraw/zinc/64/52/19/1171645219.db2.gz ZQDPHFNQQNUERV-UHFFFAOYSA-N -1 3 262.660 1.587 10 0 CDAEHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(CO)nc1 ZINC001584018159 1172795389 /nfs/dbraw/zinc/79/53/89/1172795389.db2.gz LKJKXLJBDRHWJD-UHFFFAOYSA-N -1 3 296.290 1.006 10 0 CDAEHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(CO)nc1 ZINC001584018159 1172795394 /nfs/dbraw/zinc/79/53/94/1172795394.db2.gz LKJKXLJBDRHWJD-UHFFFAOYSA-N -1 3 296.290 1.006 10 0 CDAEHM O=C(c1cccn2nccc12)N1CCCc2c(=O)[n-]cnc21 ZINC001595851726 1174219256 /nfs/dbraw/zinc/21/92/56/1174219256.db2.gz CECILNAIGFXMMA-UHFFFAOYSA-N -1 3 295.302 1.423 10 0 CDAEHM CCOc1nnc(NC(=O)c2ccc(Cl)o2)[n-]1 ZINC000228783796 1178117088 /nfs/dbraw/zinc/11/70/88/1178117088.db2.gz MVIMITGOKNYGOQ-UHFFFAOYSA-N -1 3 256.649 1.702 10 0 CDAEHM CCOc1nc(NC(=O)c2ccc(Cl)o2)n[n-]1 ZINC000228783796 1178117094 /nfs/dbraw/zinc/11/70/94/1178117094.db2.gz MVIMITGOKNYGOQ-UHFFFAOYSA-N -1 3 256.649 1.702 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2ccc(Cl)o2)n1 ZINC000228783796 1178117096 /nfs/dbraw/zinc/11/70/96/1178117096.db2.gz MVIMITGOKNYGOQ-UHFFFAOYSA-N -1 3 256.649 1.702 10 0 CDAEHM COc1nnc(NC(=O)c2csc(-c3ccco3)n2)[n-]1 ZINC000158884431 1178233843 /nfs/dbraw/zinc/23/38/43/1178233843.db2.gz NCKFRITXJMQPGU-UHFFFAOYSA-N -1 3 291.292 1.782 10 0 CDAEHM COc1nc(NC(=O)c2csc(-c3ccco3)n2)n[n-]1 ZINC000158884431 1178233846 /nfs/dbraw/zinc/23/38/46/1178233846.db2.gz NCKFRITXJMQPGU-UHFFFAOYSA-N -1 3 291.292 1.782 10 0 CDAEHM COc1n[n-]c(NC(=O)c2csc(-c3ccco3)n2)n1 ZINC000158884431 1178233849 /nfs/dbraw/zinc/23/38/49/1178233849.db2.gz NCKFRITXJMQPGU-UHFFFAOYSA-N -1 3 291.292 1.782 10 0 CDAEHM CC(C)CCN1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000171256369 1181238630 /nfs/dbraw/zinc/23/86/30/1181238630.db2.gz ROLMUKKPPCEJEQ-UHFFFAOYSA-N -1 3 277.368 1.591 10 0 CDAEHM CO[C@@H](CNCc1cc(C)c(C(=O)[O-])o1)[C@@H]1CCOC1 ZINC001771908175 1186945983 /nfs/dbraw/zinc/94/59/83/1186945983.db2.gz WFEMJFXTHGIQAI-PWSUYJOCSA-N -1 3 283.324 1.427 10 0 CDAEHM CCCC[C@](C)(CO)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000844017261 697749078 /nfs/dbraw/zinc/74/90/78/697749078.db2.gz FEBORPLRSXHKGI-OAHLLOKOSA-N -1 3 295.335 1.792 10 0 CDAEHM COC(=O)c1cnc(SC[C@@H]2CN(C3CC3)C(=O)O2)[n-]1 ZINC000845309547 697775904 /nfs/dbraw/zinc/77/59/04/697775904.db2.gz IZLJPGDKJIOGCI-QMMMGPOBSA-N -1 3 297.336 1.272 10 0 CDAEHM COCCN(CCF)C(=O)c1ccc(OC)cc1[O-] ZINC000700403433 697812067 /nfs/dbraw/zinc/81/20/67/697812067.db2.gz NMNIIORXKAOYHC-UHFFFAOYSA-N -1 3 271.288 1.459 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCN2C)c(F)c1F ZINC000921412142 697882968 /nfs/dbraw/zinc/88/29/68/697882968.db2.gz HBEPOGRKWJRJBF-VIFPVBQESA-N -1 3 290.335 1.256 10 0 CDAEHM C=C/C(C)=C/CC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831129800 697907005 /nfs/dbraw/zinc/90/70/05/697907005.db2.gz ISTDKMAWKGXRHB-RUDMXATFSA-N -1 3 290.285 1.646 10 0 CDAEHM O=c1[n-]c(=O)n(C[C@H]2CC[C@@H](C3CC3)O2)cc1Cl ZINC000715457584 697954746 /nfs/dbraw/zinc/95/47/46/697954746.db2.gz GYTQFTORMJKRNF-SCZZXKLOSA-N -1 3 270.716 1.560 10 0 CDAEHM C[C@H](F)CCNC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000840725557 698015155 /nfs/dbraw/zinc/01/51/55/698015155.db2.gz OKVPJQUXBBQELW-KWINOFQJSA-N -1 3 262.284 1.635 10 0 CDAEHM Cc1nc(NCCCNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC000164167628 698033556 /nfs/dbraw/zinc/03/35/56/698033556.db2.gz MKRWDDWHCJZPEG-UHFFFAOYSA-N -1 3 282.344 1.817 10 0 CDAEHM CO[C@H]1CC[C@H]1N(C)C(=O)c1ccc(O)cc1[O-] ZINC000724126226 698113100 /nfs/dbraw/zinc/11/31/00/698113100.db2.gz DCWZTHXNMPXIKY-PWSUYJOCSA-N -1 3 251.282 1.347 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2C[C@]3(C)COC[C@]3(C)C2)n1 ZINC000852462441 698188770 /nfs/dbraw/zinc/18/87/70/698188770.db2.gz HKZKAVLFWNWNAE-OKILXGFUSA-N -1 3 263.341 1.349 10 0 CDAEHM CO[C@H]1COCC[C@@H]1CC(=O)[N-]OC1CCCCC1 ZINC000829052944 698304836 /nfs/dbraw/zinc/30/48/36/698304836.db2.gz OYYZGXOSEXUMQG-YPMHNXCESA-N -1 3 271.357 1.809 10 0 CDAEHM CO[C@]1(C(=O)[O-])CCN(c2ccnc3ccccc32)C1 ZINC000703778220 698312232 /nfs/dbraw/zinc/31/22/32/698312232.db2.gz OCGOIXIXTAMNSF-OAHLLOKOSA-N -1 3 272.304 1.915 10 0 CDAEHM O=C(OCc1ncccn1)c1cc(F)cc2[n-]nnc21 ZINC000800260314 698403194 /nfs/dbraw/zinc/40/31/94/698403194.db2.gz XVIOZNXLVJEXPP-UHFFFAOYSA-N -1 3 273.227 1.244 10 0 CDAEHM O=C(OCc1ncccn1)c1cc(F)cc2nn[n-]c21 ZINC000800260314 698403203 /nfs/dbraw/zinc/40/32/03/698403203.db2.gz XVIOZNXLVJEXPP-UHFFFAOYSA-N -1 3 273.227 1.244 10 0 CDAEHM O=C(OCc1ncccn1)c1cc(F)cc2n[n-]nc21 ZINC000800260314 698403215 /nfs/dbraw/zinc/40/32/15/698403215.db2.gz XVIOZNXLVJEXPP-UHFFFAOYSA-N -1 3 273.227 1.244 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@@H]1O ZINC000355498797 698412116 /nfs/dbraw/zinc/41/21/16/698412116.db2.gz AFLZVZFEDKHAOG-BMIGLBTASA-N -1 3 271.316 1.998 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1CCC[C@H]1O)c1cccnc1Cl ZINC000089169719 698519111 /nfs/dbraw/zinc/51/91/11/698519111.db2.gz JXYDKBWLLRVFFU-DTWKUNHWSA-N -1 3 290.772 1.174 10 0 CDAEHM CO[N-]C(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000122750890 698584172 /nfs/dbraw/zinc/58/41/72/698584172.db2.gz QTGIDTBAGNFFBT-SECBINFHSA-N -1 3 258.318 1.311 10 0 CDAEHM ClC1(Cl)C[C@H]1CCN=c1ncnc2[nH][n-]cc1-2 ZINC000856720368 698633634 /nfs/dbraw/zinc/63/36/34/698633634.db2.gz IOUGWHTUVZXGHI-ZCFIWIBFSA-N -1 3 272.139 1.722 10 0 CDAEHM C[C@H](NC(=O)c1cc(=O)[n-]cn1)[C@](C)(O)c1ccccc1 ZINC000862125489 698685885 /nfs/dbraw/zinc/68/58/85/698685885.db2.gz IBYXOKGCZDSUCI-BONVTDFDSA-N -1 3 287.319 1.208 10 0 CDAEHM CCOc1nnc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)[n-]1 ZINC000228773513 698737567 /nfs/dbraw/zinc/73/75/67/698737567.db2.gz LLZSSIKCOJSMCV-MNOVXSKESA-N -1 3 272.308 1.946 10 0 CDAEHM CCOc1nc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)n[n-]1 ZINC000228773513 698737585 /nfs/dbraw/zinc/73/75/85/698737585.db2.gz LLZSSIKCOJSMCV-MNOVXSKESA-N -1 3 272.308 1.946 10 0 CDAEHM CCOc1n[n-]c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000228773513 698737596 /nfs/dbraw/zinc/73/75/96/698737596.db2.gz LLZSSIKCOJSMCV-MNOVXSKESA-N -1 3 272.308 1.946 10 0 CDAEHM COc1nnc(NC(=O)C(F)(F)c2ccccc2F)[n-]1 ZINC000778955925 698948345 /nfs/dbraw/zinc/94/83/45/698948345.db2.gz OMTWVLVHQYZJCI-UHFFFAOYSA-N -1 3 286.213 1.683 10 0 CDAEHM COc1nc(NC(=O)C(F)(F)c2ccccc2F)n[n-]1 ZINC000778955925 698948346 /nfs/dbraw/zinc/94/83/46/698948346.db2.gz OMTWVLVHQYZJCI-UHFFFAOYSA-N -1 3 286.213 1.683 10 0 CDAEHM COc1n[n-]c(NC(=O)C(F)(F)c2ccccc2F)n1 ZINC000778955925 698948347 /nfs/dbraw/zinc/94/83/47/698948347.db2.gz OMTWVLVHQYZJCI-UHFFFAOYSA-N -1 3 286.213 1.683 10 0 CDAEHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)NCC(C)C)C1 ZINC000062877559 698956717 /nfs/dbraw/zinc/95/67/17/698956717.db2.gz YGVZOPRCCBHGRR-AWEZNQCLSA-N -1 3 270.373 1.335 10 0 CDAEHM Cc1ccccc1[C@@H](O)CNc1nc[n-]c(=O)c1C ZINC000840764320 698960459 /nfs/dbraw/zinc/96/04/59/698960459.db2.gz RCAYFMVZQFNIGH-LBPRGKRZSA-N -1 3 259.309 1.945 10 0 CDAEHM CC[C@H](C)[C@H](C)C(=O)N[N-]C(=O)c1ncccc1C ZINC000180527274 704808425 /nfs/dbraw/zinc/80/84/25/704808425.db2.gz QJEUYNCQIIJPFZ-ONGXEEELSA-N -1 3 263.341 1.833 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCCCC1CC1 ZINC000867783623 704830866 /nfs/dbraw/zinc/83/08/66/704830866.db2.gz PZVRESUILKRBCG-INIZCTEOSA-N -1 3 282.431 1.519 10 0 CDAEHM CC[C@@H](N[C@H](C)c1cccc([O-])c1F)C(=O)NC ZINC000872077240 705024001 /nfs/dbraw/zinc/02/40/01/705024001.db2.gz DDXVHJRANDHHHL-PSASIEDQSA-N -1 3 254.305 1.707 10 0 CDAEHM CC(C)[C@@H](OC(=O)c1cccc2nn[n-]c21)C(=O)N(C)C ZINC000800208352 705089238 /nfs/dbraw/zinc/08/92/38/705089238.db2.gz NFQROGYBFCPMJK-GFCCVEGCSA-N -1 3 290.323 1.228 10 0 CDAEHM CC(C)[C@@H](OC(=O)c1cccc2[n-]nnc21)C(=O)N(C)C ZINC000800208352 705089245 /nfs/dbraw/zinc/08/92/45/705089245.db2.gz NFQROGYBFCPMJK-GFCCVEGCSA-N -1 3 290.323 1.228 10 0 CDAEHM CC(C)[C@@H](OC(=O)c1cccc2n[n-]nc21)C(=O)N(C)C ZINC000800208352 705089256 /nfs/dbraw/zinc/08/92/56/705089256.db2.gz NFQROGYBFCPMJK-GFCCVEGCSA-N -1 3 290.323 1.228 10 0 CDAEHM C=C/C=C\CCNC(=O)CNC(=O)c1ccc([O-])cc1 ZINC001611638486 1165501735 /nfs/dbraw/zinc/50/17/35/1165501735.db2.gz ASUVYQAFINDWAX-ARJAWSKDSA-N -1 3 274.320 1.371 10 0 CDAEHM COCCC[C@H](C)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC001615917226 1165560822 /nfs/dbraw/zinc/56/08/22/1165560822.db2.gz QJFPDDUKOVIDTN-JTQLQIEISA-N -1 3 279.340 1.130 10 0 CDAEHM O=C(NCc1ncc(Cl)s1)c1cccc2n[n-]nc21 ZINC001633892362 1166458009 /nfs/dbraw/zinc/45/80/09/1166458009.db2.gz NHFFLLNAQMZSLN-UHFFFAOYSA-N -1 3 293.739 1.998 10 0 CDAEHM Cn1cc(C(=O)Nc2cc(F)ccc2[O-])cc1C=O ZINC001637888730 1166795220 /nfs/dbraw/zinc/79/52/20/1166795220.db2.gz BHRAZCURVDHHTM-UHFFFAOYSA-N -1 3 262.240 1.935 10 0 CDAEHM CC(=O)c1cccc(NC(=O)Cc2ncc[nH]2)c1[O-] ZINC001641845070 1167139001 /nfs/dbraw/zinc/13/90/01/1167139001.db2.gz SDSBIDDPVOQTTH-UHFFFAOYSA-N -1 3 259.265 1.499 10 0 CDAEHM COC(=O)N[C@@H](C(=O)NCc1ccc([O-])c(F)c1)C(C)C ZINC000132886012 848045160 /nfs/dbraw/zinc/04/51/60/848045160.db2.gz UQZOLISKRAMHGO-GFCCVEGCSA-N -1 3 298.314 1.528 10 0 CDAEHM CC1(C)CC[C@@H](CNC(=O)c2cc3c(cc2[O-])OCO3)O1 ZINC000436835525 848188605 /nfs/dbraw/zinc/18/86/05/848188605.db2.gz ACNXEAOYHFROIJ-VIFPVBQESA-N -1 3 293.319 1.808 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1cnc(Cl)cn1 ZINC000792681505 848299027 /nfs/dbraw/zinc/29/90/27/848299027.db2.gz KRXRWPVSCIBVQI-UHFFFAOYSA-N -1 3 264.672 1.161 10 0 CDAEHM CSCCCCNC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436527647 848318867 /nfs/dbraw/zinc/31/88/67/848318867.db2.gz 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/nfs/dbraw/zinc/05/37/48/849053748.db2.gz YWRLQECHSWSBQD-SECBINFHSA-N -1 3 292.451 1.873 10 0 CDAEHM Cc1ccc(CS(=O)(=O)[N-][C@@H]2C[C@@H](C)OC2=O)cc1C ZINC000841525079 849184599 /nfs/dbraw/zinc/18/45/99/849184599.db2.gz QBGQUGLRPFALPN-DGCLKSJQSA-N -1 3 297.376 1.427 10 0 CDAEHM CN(Cc1cccc(C(=O)[O-])n1)[C@@H]1CCSC1 ZINC000234305276 849224813 /nfs/dbraw/zinc/22/48/13/849224813.db2.gz NMHACWJREZTTPE-SNVBAGLBSA-N -1 3 252.339 1.717 10 0 CDAEHM CC1(C)CC[C@@H](O)[C@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000866049356 849683351 /nfs/dbraw/zinc/68/33/51/849683351.db2.gz IYLYUTXQMUDAEC-NXEZZACHSA-N -1 3 261.329 1.078 10 0 CDAEHM CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000867500758 849739924 /nfs/dbraw/zinc/73/99/24/849739924.db2.gz DGKNUPIXLPACER-JTQLQIEISA-N -1 3 271.386 1.888 10 0 CDAEHM Cc1cc(CS(=O)(=O)[N-][C@@H]2CCCC[C@@H]2F)on1 ZINC000867613542 849762922 /nfs/dbraw/zinc/76/29/22/849762922.db2.gz XPYZIRQGZJBPCN-WDEREUQCSA-N -1 3 276.333 1.683 10 0 CDAEHM 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/nfs/dbraw/zinc/45/06/50/954450650.db2.gz JBITWWAXSCOPDK-RQJHMYQMSA-N -1 3 292.261 1.570 10 0 CDAEHM CC[C@@H](N)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001327074596 954693749 /nfs/dbraw/zinc/69/37/49/954693749.db2.gz QHGCTFYWOHZTGC-TUAOUCFPSA-N -1 3 262.309 1.153 10 0 CDAEHM CC(C)c1noc([C@H](C)N2CC[C@H](c3nnn[n-]3)C2)n1 ZINC001363291067 972058931 /nfs/dbraw/zinc/05/89/31/972058931.db2.gz LFLROBRTYWFVMN-IUCAKERBSA-N -1 3 277.332 1.257 10 0 CDAEHM CC(C)c1noc([C@H](C)N2CC[C@H](c3nn[n-]n3)C2)n1 ZINC001363291067 972058934 /nfs/dbraw/zinc/05/89/34/972058934.db2.gz LFLROBRTYWFVMN-IUCAKERBSA-N -1 3 277.332 1.257 10 0 CDAEHM Cc1nc([C@@H](C)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)no1 ZINC001363298991 972066139 /nfs/dbraw/zinc/06/61/39/972066139.db2.gz SHGTTWOKMWPWAF-SSDOTTSWSA-N -1 3 287.323 1.828 10 0 CDAEHM CCOC(=O)c1cccc2[n-]c(NC(=O)C(C)(C)O)nc21 ZINC001365159826 955661542 /nfs/dbraw/zinc/66/15/42/955661542.db2.gz VFEORQSUFZROFV-UHFFFAOYSA-N -1 3 291.307 1.449 10 0 CDAEHM O=C(NCc1csc(C(F)(F)F)c1)c1cn[n-]n1 ZINC001365205469 955721582 /nfs/dbraw/zinc/72/15/82/955721582.db2.gz ROIHZEFLRBWPSN-UHFFFAOYSA-N -1 3 276.243 1.815 10 0 CDAEHM O=C([O-])[C@H](NCc1cnc(Cl)c(F)c1)[C@H]1CCCO1 ZINC001331845509 957297161 /nfs/dbraw/zinc/29/71/61/957297161.db2.gz KFKNDPZLWVFPST-NXEZZACHSA-N -1 3 288.706 1.596 10 0 CDAEHM Cn1ncc2c1nc(SCOC1CCOCC1)[n-]c2=O ZINC001331945684 957353893 /nfs/dbraw/zinc/35/38/93/957353893.db2.gz LPNWBAVLEOTBQD-UHFFFAOYSA-N -1 3 296.352 1.314 10 0 CDAEHM Cc1ncc(CN[C@H](C)CNC(=O)c2ccccc2[O-])o1 ZINC001371105298 972364263 /nfs/dbraw/zinc/36/42/63/972364263.db2.gz NSKWPSVPDMGDSB-SNVBAGLBSA-N -1 3 289.335 1.597 10 0 CDAEHM C[C@H](NC(=O)/C=C\C(C)(C)C)[C@H](C)NC(=O)c1cn[n-]n1 ZINC001333869188 958664292 /nfs/dbraw/zinc/66/42/92/958664292.db2.gz XTMNTNJGHYWNMW-QTPDZXDFSA-N -1 3 293.371 1.030 10 0 CDAEHM O=C([O-])c1csc(NC(=O)C23CCN(CC2)C3)c1 ZINC001334187394 958917071 /nfs/dbraw/zinc/91/70/71/958917071.db2.gz LDKKLGFAJTVINO-UHFFFAOYSA-N -1 3 266.322 1.481 10 0 CDAEHM C[C@H](C(=O)[N-]OCCCC(F)(F)F)[C@@H]1CCC(=O)N1 ZINC001335796357 960028402 /nfs/dbraw/zinc/02/84/02/960028402.db2.gz KBEXSAMAEOVIKY-YUMQZZPRSA-N -1 3 282.262 1.291 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)c1ccnn1C1CCC1 ZINC001433472358 960349523 /nfs/dbraw/zinc/34/95/23/960349523.db2.gz IAEICNYJPJIFIH-UHFFFAOYSA-N -1 3 289.295 1.370 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)c1ccnn1C1CCC1 ZINC001433472358 960349536 /nfs/dbraw/zinc/34/95/36/960349536.db2.gz IAEICNYJPJIFIH-UHFFFAOYSA-N -1 3 289.295 1.370 10 0 CDAEHM Cc1nc(C)c(CCC(=O)Nc2ccsn2)c(=O)[n-]1 ZINC001433547131 960397027 /nfs/dbraw/zinc/39/70/27/960397027.db2.gz VZUIUBAQYXHPFQ-UHFFFAOYSA-N -1 3 278.337 1.827 10 0 CDAEHM C[C@@H](CNC(=O)c1cnncc1[O-])N1CCc2ccccc21 ZINC001433635543 960479493 /nfs/dbraw/zinc/47/94/93/960479493.db2.gz JCGHVJACOSJWNO-NSHDSACASA-N -1 3 298.346 1.363 10 0 CDAEHM CCCC[C@H](O)CCC(=O)NCc1nc(C)cc(=O)[n-]1 ZINC001434151293 961036156 /nfs/dbraw/zinc/03/61/56/961036156.db2.gz XUBFOAVJYGNPSH-NSHDSACASA-N -1 3 281.356 1.438 10 0 CDAEHM COc1nnc([N-]C(=O)c2ccc(CN(C)C)o2)s1 ZINC001434246662 961111500 /nfs/dbraw/zinc/11/15/00/961111500.db2.gz HNJQLGSUNXUMPN-UHFFFAOYSA-N -1 3 282.325 1.454 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)C=CCOc2ccccc2)n1 ZINC001557320263 965165016 /nfs/dbraw/zinc/16/50/16/965165016.db2.gz BXIGQSSKDWZUDX-VMPITWQZSA-N -1 3 299.330 1.742 10 0 CDAEHM CC(C)OCCO[N-]C(=O)Cc1cccc2nsnc21 ZINC001347089370 965365538 /nfs/dbraw/zinc/36/55/38/965365538.db2.gz UJAFKAMFDNCQPP-UHFFFAOYSA-N -1 3 295.364 1.707 10 0 CDAEHM CO[C@@]1(C(=O)[O-])CCN(Cc2cc(C)ccn2)C1 ZINC001348437325 965993630 /nfs/dbraw/zinc/99/36/30/965993630.db2.gz VWFZYPPXFSVGOQ-ZDUSSCGKSA-N -1 3 250.298 1.066 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)[C@@H](C)OC)c1 ZINC001349858698 966501515 /nfs/dbraw/zinc/50/15/15/966501515.db2.gz USUQWVZWBQYGOY-NXEZZACHSA-N -1 3 292.335 1.670 10 0 CDAEHM CN1C[C@H]2CCN(C(=O)C(C)(C)CCC(=O)[O-])[C@@H]2C1 ZINC001350795373 966766477 /nfs/dbraw/zinc/76/64/77/966766477.db2.gz FZXXUEMWLVCDQU-GHMZBOCLSA-N -1 3 268.357 1.040 10 0 CDAEHM O=C(NCc1ccsc1C(F)(F)F)c1cn[n-]n1 ZINC001413866258 968223475 /nfs/dbraw/zinc/22/34/75/968223475.db2.gz NLRGMEMGSWWADZ-UHFFFAOYSA-N -1 3 276.243 1.815 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNc1nc2ccc(F)cc2o1 ZINC001472697719 968752257 /nfs/dbraw/zinc/75/22/57/968752257.db2.gz NHQDKLXGKPUATB-SECBINFHSA-N -1 3 276.271 1.891 10 0 CDAEHM Cn1ccnc(NCCc2c(F)cc([O-])cc2F)c1=O ZINC001458651994 969331072 /nfs/dbraw/zinc/33/10/72/969331072.db2.gz VGOGTGGMTPHMRU-UHFFFAOYSA-N -1 3 281.262 1.419 10 0 CDAEHM NC(=O)CCC(=O)Nc1ccc(Br)cc1[O-] ZINC001464133402 969772915 /nfs/dbraw/zinc/77/29/15/969772915.db2.gz BHPGVGZICQAWNT-UHFFFAOYSA-N -1 3 287.113 1.359 10 0 CDAEHM O=C(NCCc1ccc(F)cc1Cl)c1cnncc1[O-] ZINC001464969646 969834712 /nfs/dbraw/zinc/83/47/12/969834712.db2.gz LLWVEKVBQOMYPF-UHFFFAOYSA-N -1 3 295.701 1.947 10 0 CDAEHM CC(=Cc1cccnc1)C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC001465650734 969888313 /nfs/dbraw/zinc/88/83/13/969888313.db2.gz RYDHEUDCZWSBIM-VURMDHGXSA-N -1 3 286.291 1.633 10 0 CDAEHM C[C@@H](C[C@H](O)c1ccco1)NC(=O)c1cnncc1[O-] ZINC001465762612 969895730 /nfs/dbraw/zinc/89/57/30/969895730.db2.gz WWEHDIZHARWXHS-WPRPVWTQSA-N -1 3 277.280 1.017 10 0 CDAEHM O=C(Nc1ncccc1[O-])c1cccc2nc[nH]c(=O)c21 ZINC001466805730 970001445 /nfs/dbraw/zinc/00/14/45/970001445.db2.gz TZZBKVQAXCODDA-UHFFFAOYSA-N -1 3 282.259 1.688 10 0 CDAEHM CC(=O)c1cccc(NC(=O)c2cncnc2C)c1[O-] ZINC001468602476 970180961 /nfs/dbraw/zinc/18/09/61/970180961.db2.gz ZRWQBLZJJWQZLJ-UHFFFAOYSA-N -1 3 271.276 1.946 10 0 CDAEHM O=C(Oc1cccc2c1OCCC2)c1c[n-]ncc1=O ZINC001469406075 970246055 /nfs/dbraw/zinc/24/60/55/970246055.db2.gz ODYBTKXRBBDRRF-UHFFFAOYSA-N -1 3 272.260 1.726 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccsc1Cl ZINC001361929386 970685895 /nfs/dbraw/zinc/68/58/95/970685895.db2.gz UTHLGCYPHFONGE-SSDOTTSWSA-N -1 3 285.756 1.643 10 0 CDAEHM CCCC[C@@H](C)C(=O)NCC[C@@H](C)NC(=O)c1cn[n-]n1 ZINC001415386105 972630046 /nfs/dbraw/zinc/63/00/46/972630046.db2.gz GLAHHKMNNXVVDF-GHMZBOCLSA-N -1 3 295.387 1.256 10 0 CDAEHM CCCC[C@@](C)(F)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001417636421 973222748 /nfs/dbraw/zinc/22/27/48/973222748.db2.gz YYFKCRRLUSUCMA-ZWNOBZJWSA-N -1 3 271.336 1.533 10 0 CDAEHM CCSc1cc(CNC(=O)c2cnncc2[O-])ccn1 ZINC001417722196 973330010 /nfs/dbraw/zinc/33/00/10/973330010.db2.gz BDEHFPNRCVWLDA-UHFFFAOYSA-N -1 3 290.348 1.619 10 0 CDAEHM CC[C@H](C)CCC(=O)N(C)C[C@H](C)NC(=O)c1cn[n-]n1 ZINC001395654386 978426843 /nfs/dbraw/zinc/42/68/43/978426843.db2.gz SMODKZDJRMTALU-QWRGUYRKSA-N -1 3 295.387 1.208 10 0 CDAEHM O=C(CCc1cn[nH]n1)Nc1cc(F)c([O-])cc1Cl ZINC001598591084 1174318371 /nfs/dbraw/zinc/31/83/71/1174318371.db2.gz VRWFSOGNGZVWSX-UHFFFAOYSA-N -1 3 284.678 1.874 10 0 CDAEHM O=C(CCc1c[nH]nn1)Nc1cc(F)c([O-])cc1Cl ZINC001598591084 1174318379 /nfs/dbraw/zinc/31/83/79/1174318379.db2.gz VRWFSOGNGZVWSX-UHFFFAOYSA-N -1 3 284.678 1.874 10 0 CDAEHM COc1ccc(C(=O)[N-]c2nc(C)no2)c(Cl)n1 ZINC001650717621 1171252975 /nfs/dbraw/zinc/25/29/75/1171252975.db2.gz WLCMXRBRGQBTDX-UHFFFAOYSA-N -1 3 268.660 1.687 10 0 CDAEHM O=C(NCCO[C@@H]1CC1(F)F)c1ccc(O)cc1[O-] ZINC000618132324 342464800 /nfs/dbraw/zinc/46/48/00/342464800.db2.gz XXICVSGPFOIPAZ-SNVBAGLBSA-N -1 3 273.235 1.252 10 0 CDAEHM O=C(NCCO[C@@H]1CC1(F)F)c1csc(=O)[n-]1 ZINC000618133416 342465343 /nfs/dbraw/zinc/46/53/43/342465343.db2.gz UEUPORDVXSBODE-ZCFIWIBFSA-N -1 3 264.253 1.003 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCC[C@H]([C@H]3CCOC3)C2)n1 ZINC000533080478 282082348 /nfs/dbraw/zinc/08/23/48/282082348.db2.gz OLPRPPKFZNDLJQ-STQMWFEESA-N -1 3 291.395 1.993 10 0 CDAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cnc(C2CC2)nc1 ZINC000616825547 342529227 /nfs/dbraw/zinc/52/92/27/342529227.db2.gz YZYWSORHNOQLFR-LBPRGKRZSA-N -1 3 299.334 1.603 10 0 CDAEHM Cc1c(Cl)cccc1NC(=O)[C@@H](N)CC(=O)[O-] ZINC000082566843 178096461 /nfs/dbraw/zinc/09/64/61/178096461.db2.gz POMYHEVUDRMVRB-QMMMGPOBSA-N -1 3 256.689 1.389 10 0 CDAEHM COc1ccc(Cl)cc1NC(=O)[C@H](N)CC(=O)[O-] ZINC000082578162 178118556 /nfs/dbraw/zinc/11/85/56/178118556.db2.gz PNWUTLOANIYUTF-SSDOTTSWSA-N -1 3 272.688 1.089 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)Nc1ccc(Br)cc1 ZINC000082586638 178123240 /nfs/dbraw/zinc/12/32/40/178123240.db2.gz FMSNTXFJQQBWHM-QMMMGPOBSA-N -1 3 287.113 1.190 10 0 CDAEHM CC(=O)CCCCn1cc(Br)c(=O)[n-]c1=O ZINC000082604917 178125096 /nfs/dbraw/zinc/12/50/96/178125096.db2.gz XLPKUFSWOSPTIT-UHFFFAOYSA-N -1 3 289.129 1.058 10 0 CDAEHM COC[C@@H](C)[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000624793954 342016276 /nfs/dbraw/zinc/01/62/76/342016276.db2.gz UBDMBLMWZIKLTP-MRVPVSSYSA-N -1 3 279.308 1.586 10 0 CDAEHM COC(=O)[C@@]1(OC)CCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000600291511 342031905 /nfs/dbraw/zinc/03/19/05/342031905.db2.gz UEFCZGHYPZKVPI-OAHLLOKOSA-N -1 3 293.319 1.105 10 0 CDAEHM C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000351610814 361802023 /nfs/dbraw/zinc/80/20/23/361802023.db2.gz YCMCJABDNZDXPK-XOULXFPDSA-N -1 3 259.327 1.193 10 0 CDAEHM O=C1CN(Cc2cc([O-])ccc2Cl)CCN1C1CC1 ZINC000625214217 342041792 /nfs/dbraw/zinc/04/17/92/342041792.db2.gz ZJYVJJIVPCEZSC-UHFFFAOYSA-N -1 3 280.755 1.852 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1Cc2ccccc2CO1)c1ccco1 ZINC000625336244 342083344 /nfs/dbraw/zinc/08/33/44/342083344.db2.gz ZTNWSZMHDKACAO-ZDUSSCGKSA-N -1 3 293.344 1.699 10 0 CDAEHM CC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000083153724 178342889 /nfs/dbraw/zinc/34/28/89/178342889.db2.gz XHNQDAMOWKSMSO-RXMQYKEDSA-N -1 3 267.759 1.657 10 0 CDAEHM COC(=O)[C@@H](COC(C)C)N(C)C(=O)c1cccc([O-])c1 ZINC000611566298 346819279 /nfs/dbraw/zinc/81/92/79/346819279.db2.gz LGVJRHSBUBSIGH-CYBMUJFWSA-N -1 3 295.335 1.431 10 0 CDAEHM CN(CC1CN(C)C1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000618189858 342128095 /nfs/dbraw/zinc/12/80/95/342128095.db2.gz ZFXXZFSKUUHPBF-UHFFFAOYSA-N -1 3 266.316 1.094 10 0 CDAEHM C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](N)CC1CCCCC1 ZINC000310803940 342137378 /nfs/dbraw/zinc/13/73/78/342137378.db2.gz YXYGQTJJKAXXOY-ONGXEEELSA-N -1 3 256.346 1.216 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@H]2COC[C@@H]2C1 ZINC000620132141 342149078 /nfs/dbraw/zinc/14/90/78/342149078.db2.gz UYJFKRUIEQPWKL-RYUDHWBXSA-N -1 3 279.311 1.569 10 0 CDAEHM CCOC(=O)C(C)(C)C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000592950460 342749253 /nfs/dbraw/zinc/74/92/53/342749253.db2.gz WYFSHNYKJWPRAJ-UHFFFAOYSA-N -1 3 281.356 1.791 10 0 CDAEHM CC(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](O)C23CCC3)cc1[O-] ZINC000619072669 349615476 /nfs/dbraw/zinc/61/54/76/349615476.db2.gz OSPLRTYJEYHWPP-ZIAGYGMSSA-N -1 3 289.331 1.628 10 0 CDAEHM CC[C@@H](CNC(=O)c1ccc([O-])c(OC)c1)C(=O)OC ZINC000592855966 342738192 /nfs/dbraw/zinc/73/81/92/342738192.db2.gz VCRXCOVBGNNICY-VIFPVBQESA-N -1 3 281.308 1.330 10 0 CDAEHM CCOC(=O)c1cc(CN(C)[C@@H](CC)C(=O)[O-])[nH]c1C ZINC000593332803 342786403 /nfs/dbraw/zinc/78/64/03/342786403.db2.gz OXXOPNLPAMWYGV-LBPRGKRZSA-N -1 3 282.340 1.795 10 0 CDAEHM Cc1cccc(C(=O)N[C@@H]2C[C@@H](O)C23CCC3)c1[O-] ZINC000619086961 349623481 /nfs/dbraw/zinc/62/34/81/349623481.db2.gz CLZDNWKXCVOKTM-VXGBXAGGSA-N -1 3 261.321 1.734 10 0 CDAEHM C[C@H]1OCC[C@H]1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000270589114 361938365 /nfs/dbraw/zinc/93/83/65/361938365.db2.gz BVBMTEPGVFFGBW-GMSGAONNSA-N -1 3 276.745 1.191 10 0 CDAEHM C[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000270589119 361938912 /nfs/dbraw/zinc/93/89/12/361938912.db2.gz BVBMTEPGVFFGBW-XCBNKYQSSA-N -1 3 276.745 1.191 10 0 CDAEHM CCc1cccc(C(=O)N2CCC[C@@H]2C(=O)NC)c1[O-] ZINC000094082502 539037531 /nfs/dbraw/zinc/03/75/31/539037531.db2.gz XATCQKCEVCBMMU-GFCCVEGCSA-N -1 3 276.336 1.305 10 0 CDAEHM COc1cccc(S(=O)(=O)[N-][C@@H](C)[C@H](C)CO)c1F ZINC000655522224 539040307 /nfs/dbraw/zinc/04/03/07/539040307.db2.gz NCIDEAUEDRCJOT-BDAKNGLRSA-N -1 3 291.344 1.130 10 0 CDAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccs2)c2ncnn21 ZINC000657064541 539107075 /nfs/dbraw/zinc/10/70/75/539107075.db2.gz KLOCUGUVGYLFKV-SFYZADRCSA-N -1 3 284.366 1.324 10 0 CDAEHM NC(=O)c1nn[n-]c1NC(=O)C1CCC(C2CC2)CC1 ZINC000622868653 342263799 /nfs/dbraw/zinc/26/37/99/342263799.db2.gz VVCAFTWFFVNXRB-UHFFFAOYSA-N -1 3 277.328 1.059 10 0 CDAEHM NC(=O)c1[n-]nnc1NC(=O)C1CCC(C2CC2)CC1 ZINC000622868653 342263800 /nfs/dbraw/zinc/26/38/00/342263800.db2.gz VVCAFTWFFVNXRB-UHFFFAOYSA-N -1 3 277.328 1.059 10 0 CDAEHM NC(=O)c1n[n-]nc1NC(=O)C1CCC(C2CC2)CC1 ZINC000622868653 342263801 /nfs/dbraw/zinc/26/38/01/342263801.db2.gz VVCAFTWFFVNXRB-UHFFFAOYSA-N -1 3 277.328 1.059 10 0 CDAEHM O=C(c1cccc2[n-]nnc21)N1CCO[C@@H]2CCCC[C@H]21 ZINC000182730356 539143141 /nfs/dbraw/zinc/14/31/41/539143141.db2.gz HUHQDNNZLOEUPD-CHWSQXEVSA-N -1 3 286.335 1.742 10 0 CDAEHM O=C(c1cccc2nn[n-]c21)N1CCO[C@@H]2CCCC[C@H]21 ZINC000182730356 539143142 /nfs/dbraw/zinc/14/31/42/539143142.db2.gz HUHQDNNZLOEUPD-CHWSQXEVSA-N -1 3 286.335 1.742 10 0 CDAEHM O=C(c1cccc2n[n-]nc21)N1CCO[C@@H]2CCCC[C@H]21 ZINC000182730356 539143143 /nfs/dbraw/zinc/14/31/43/539143143.db2.gz HUHQDNNZLOEUPD-CHWSQXEVSA-N -1 3 286.335 1.742 10 0 CDAEHM Cn1c(CNC(=O)c2ccccc2[O-])nnc1C1CCC1 ZINC000184022239 539145551 /nfs/dbraw/zinc/14/55/51/539145551.db2.gz YLXHLWFQNWJWJN-UHFFFAOYSA-N -1 3 286.335 1.718 10 0 CDAEHM CC(C)(C)CCCC(=O)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000072290745 342274472 /nfs/dbraw/zinc/27/44/72/342274472.db2.gz OCLBIAPHNLHTOU-CQSZACIVSA-N -1 3 281.356 1.013 10 0 CDAEHM C[C@H](NC(=O)c1cc(=O)[n-]cn1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000626030814 342291393 /nfs/dbraw/zinc/29/13/93/342291393.db2.gz ICBJXOGMDLTBEV-YHAQOWFVSA-N -1 3 299.330 1.865 10 0 CDAEHM NC(=O)C[C@H]1CN(Cc2cc([O-])ccc2Cl)CCO1 ZINC000626075549 342299432 /nfs/dbraw/zinc/29/94/32/342299432.db2.gz MCOSKOKYNYAIPO-NSHDSACASA-N -1 3 284.743 1.122 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)C2)c1 ZINC000080715854 342359593 /nfs/dbraw/zinc/35/95/93/342359593.db2.gz GRPDWFGQHITZSI-GHMZBOCLSA-N -1 3 271.386 1.760 10 0 CDAEHM COCCN1CCCN(C(=O)c2cc(C)ccc2[O-])CC1 ZINC000081723392 342372085 /nfs/dbraw/zinc/37/20/85/342372085.db2.gz WALJUOZTDMMKDU-UHFFFAOYSA-N -1 3 292.379 1.495 10 0 CDAEHM CCc1cc(=O)[n-]c(CSCc2nc(N(C)C)no2)n1 ZINC000596345903 343299023 /nfs/dbraw/zinc/29/90/23/343299023.db2.gz NOFDKWYEKMBHEE-UHFFFAOYSA-N -1 3 295.368 1.627 10 0 CDAEHM Clc1ccc(N2CCN(CCc3nnn[n-]3)CC2)cc1 ZINC000095234458 342430993 /nfs/dbraw/zinc/43/09/93/342430993.db2.gz CKLUGYREENOSRF-UHFFFAOYSA-N -1 3 292.774 1.218 10 0 CDAEHM Clc1ccc(N2CCN(CCc3nn[n-]n3)CC2)cc1 ZINC000095234458 342430994 /nfs/dbraw/zinc/43/09/94/342430994.db2.gz CKLUGYREENOSRF-UHFFFAOYSA-N -1 3 292.774 1.218 10 0 CDAEHM CCc1n[n-]c(S(=O)(=O)Cc2ncc(C3CC3)o2)n1 ZINC000535507813 282259382 /nfs/dbraw/zinc/25/93/82/282259382.db2.gz PRPJSXRGPHTZMK-UHFFFAOYSA-N -1 3 282.325 1.206 10 0 CDAEHM CCc1nnc(S(=O)(=O)Cc2ncc(C3CC3)o2)[n-]1 ZINC000535507813 282259383 /nfs/dbraw/zinc/25/93/83/282259383.db2.gz PRPJSXRGPHTZMK-UHFFFAOYSA-N -1 3 282.325 1.206 10 0 CDAEHM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000155662102 136395931 /nfs/dbraw/zinc/39/59/31/136395931.db2.gz NANMFRDXWRCLLC-GHMZBOCLSA-N -1 3 275.304 1.481 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-]Cc2cccc(C)n2)nc1C ZINC000535759395 282280441 /nfs/dbraw/zinc/28/04/41/282280441.db2.gz OHAKYCLDMBUYCO-UHFFFAOYSA-N -1 3 294.380 1.393 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C[C@H](C)[C@@H]1CCCO1 ZINC000612089049 347010964 /nfs/dbraw/zinc/01/09/64/347010964.db2.gz HWLWSWGTFUNTPU-CBAPKCEASA-N -1 3 281.312 1.340 10 0 CDAEHM CCC1(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)CCC1 ZINC000331575537 362317049 /nfs/dbraw/zinc/31/70/49/362317049.db2.gz KVJJSWUKFPDLFI-UHFFFAOYSA-N -1 3 291.277 1.955 10 0 CDAEHM CCC1(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)CCC1 ZINC000331575537 362317054 /nfs/dbraw/zinc/31/70/54/362317054.db2.gz KVJJSWUKFPDLFI-UHFFFAOYSA-N -1 3 291.277 1.955 10 0 CDAEHM CCC1(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)CCC1 ZINC000331575537 362317056 /nfs/dbraw/zinc/31/70/56/362317056.db2.gz KVJJSWUKFPDLFI-UHFFFAOYSA-N -1 3 291.277 1.955 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C(C)(C)C2CC2)c1 ZINC000536553599 282322993 /nfs/dbraw/zinc/32/29/93/282322993.db2.gz IDXZFZMKCGOKIS-UHFFFAOYSA-N -1 3 257.359 1.370 10 0 CDAEHM C/C=C/C[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1 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ZINC000615917013 348992975 /nfs/dbraw/zinc/99/29/75/348992975.db2.gz KRHRRHJDVIMBRM-UHFFFAOYSA-N -1 3 265.334 1.729 10 0 CDAEHM C[C@H](CC(N)=O)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022906 349251196 /nfs/dbraw/zinc/25/11/96/349251196.db2.gz KYQSPWCCVVDFFR-SECBINFHSA-N -1 3 287.319 1.068 10 0 CDAEHM C[C@@H]1C[C@@H](C(=O)NCc2ccc([O-])c3ncccc23)CO1 ZINC000616024229 349251707 /nfs/dbraw/zinc/25/17/07/349251707.db2.gz ZLWQQRVORQDXTL-ZYHUDNBSSA-N -1 3 286.331 1.982 10 0 CDAEHM COc1cc(C(=O)N2C[C@@H](C)C(=O)[C@H](C)C2)ccc1[O-] ZINC000618098120 349381892 /nfs/dbraw/zinc/38/18/92/349381892.db2.gz XVQQYUVXKLOLIZ-NXEZZACHSA-N -1 3 277.320 1.698 10 0 CDAEHM CCS(=O)(=O)C1(CNC(=O)c2cccc(C)c2[O-])CC1 ZINC000620046935 350013213 /nfs/dbraw/zinc/01/32/13/350013213.db2.gz MIUAWMGFKXEPOZ-UHFFFAOYSA-N -1 3 297.376 1.398 10 0 CDAEHM CCC(CC)[C@H](C)[N-]S(=O)(=O)c1cn(CC)nc1N ZINC000104448145 186005729 /nfs/dbraw/zinc/00/57/29/186005729.db2.gz MLKZMYXCMYLCTD-VIFPVBQESA-N -1 3 288.417 1.588 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCC(Nc2cccnn2)CC1 ZINC000105868151 186080692 /nfs/dbraw/zinc/08/06/92/186080692.db2.gz WOMFOOORBOARNB-UHFFFAOYSA-N -1 3 298.346 1.899 10 0 CDAEHM Cc1cc([N-]C(=O)[C@H](C)N2CCC(=O)[C@@H](C)C2)on1 ZINC000275223969 365968320 /nfs/dbraw/zinc/96/83/20/365968320.db2.gz KHAPRLXSMSQTAN-WPRPVWTQSA-N -1 3 265.313 1.221 10 0 CDAEHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1cscn1 ZINC000645537579 365975881 /nfs/dbraw/zinc/97/58/81/365975881.db2.gz FHNJAZPGBQLMLO-ZETCQYMHSA-N -1 3 287.366 1.787 10 0 CDAEHM C[C@@]12COC[C@@H]1CN(C(=O)c1cc(F)c[n-]c1=O)C2 ZINC000622172362 351051957 /nfs/dbraw/zinc/05/19/57/351051957.db2.gz JEJDJTAROXYQMT-ISVAXAHUSA-N -1 3 266.272 1.035 10 0 CDAEHM Cc1ccc([O-])c(CN2CCNC(=O)c3ccccc32)n1 ZINC000291496696 198037140 /nfs/dbraw/zinc/03/71/40/198037140.db2.gz GZWPYFTYOKANST-UHFFFAOYSA-N -1 3 283.331 1.846 10 0 CDAEHM COc1cc(C)nc(CNCc2ncccc2[O-])c1 ZINC000355309922 366058927 /nfs/dbraw/zinc/05/89/27/366058927.db2.gz GZDCJQOBAOLTSY-UHFFFAOYSA-N -1 3 259.309 1.789 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)CC2CCC2)o1 ZINC000360352211 363103926 /nfs/dbraw/zinc/10/39/26/363103926.db2.gz LHZXXCVAFQEJJW-NSHDSACASA-N -1 3 273.354 1.417 10 0 CDAEHM O=C(c1cncc([O-])c1)N1CCC(c2ncc[nH]2)CC1 ZINC000264871144 363177250 /nfs/dbraw/zinc/17/72/50/363177250.db2.gz RDEFKYXWFHDLJS-UHFFFAOYSA-N -1 3 272.308 1.530 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCSC[C@H]1CCO ZINC000336357216 363433703 /nfs/dbraw/zinc/43/37/03/363433703.db2.gz XUMNDLKXNKRNJZ-SNVBAGLBSA-N -1 3 267.350 1.332 10 0 CDAEHM COC[C@@H](CNC(=O)c1cc2c(cc1[O-])CCCC2)OC ZINC000272932111 191981042 /nfs/dbraw/zinc/98/10/42/191981042.db2.gz LENOMQFZOYHIIZ-CYBMUJFWSA-N -1 3 293.363 1.662 10 0 CDAEHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H](CCO)C1 ZINC000236490902 140239670 /nfs/dbraw/zinc/23/96/70/140239670.db2.gz ZUHXOKCFSSXFOJ-VIFPVBQESA-N -1 3 269.728 1.890 10 0 CDAEHM CC1(C)CCN(C(=O)c2cc([O-])ccc2F)CC[S@]1=O ZINC000334614980 535314523 /nfs/dbraw/zinc/31/45/23/535314523.db2.gz RQQRTNNMBZRUIC-FQEVSTJZSA-N -1 3 299.367 1.905 10 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533247451 /nfs/dbraw/zinc/24/74/51/533247451.db2.gz JLLIRWOBGHPHKB-UHFFFAOYSA-N -1 3 289.331 1.706 10 0 CDAEHM CCc1nnsc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527208623 391003542 /nfs/dbraw/zinc/00/35/42/391003542.db2.gz AEOKXRZGQHXMEH-SECBINFHSA-N -1 3 293.352 1.349 10 0 CDAEHM C[C@@H]1CC[C@@H](CCC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)O1 ZINC000526959356 391236566 /nfs/dbraw/zinc/23/65/66/391236566.db2.gz LCJMYGPCSMVJPE-NTZNESFSSA-N -1 3 293.367 1.969 10 0 CDAEHM CN1CCC[C@H](CNC(=O)C(=O)[O-])[C@@H]1c1cccs1 ZINC000364198784 391321880 /nfs/dbraw/zinc/32/18/80/391321880.db2.gz GKFYZYWSUSYOQC-MWLCHTKSSA-N -1 3 282.365 1.332 10 0 CDAEHM CCOC(=O)[C@H](CC)C(=O)Nc1ccccc1[O-] ZINC000411203643 391410531 /nfs/dbraw/zinc/41/05/31/391410531.db2.gz ZUEYQIDKBIGFOZ-SECBINFHSA-N -1 3 251.282 1.920 10 0 CDAEHM [O-]c1cccc(CNC[C@H](O)[C@@H]2CCCO2)c1Cl ZINC000527754092 391503248 /nfs/dbraw/zinc/50/32/48/391503248.db2.gz DEKWJJSYLKVLTB-RYUDHWBXSA-N -1 3 271.744 1.675 10 0 CDAEHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3[C@@H]4CCCO[C@H]34)[n-]2)o1 ZINC000356808685 391491092 /nfs/dbraw/zinc/49/10/92/391491092.db2.gz YTBVEWSZHGLVBY-GDPRMGEGSA-N -1 3 288.307 1.737 10 0 CDAEHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3[C@@H]4CCCO[C@H]34)n2)o1 ZINC000356808685 391491095 /nfs/dbraw/zinc/49/10/95/391491095.db2.gz YTBVEWSZHGLVBY-GDPRMGEGSA-N -1 3 288.307 1.737 10 0 CDAEHM Cc1ccc(-c2nc(NC(=O)[C@@H]3[C@@H]4CCCO[C@H]34)n[n-]2)o1 ZINC000356808685 391491098 /nfs/dbraw/zinc/49/10/98/391491098.db2.gz YTBVEWSZHGLVBY-GDPRMGEGSA-N -1 3 288.307 1.737 10 0 CDAEHM NC(=O)c1csc(=NCC[C@@H]2CC=CCC2)[n-]1 ZINC000528183753 391636659 /nfs/dbraw/zinc/63/66/59/391636659.db2.gz SJWQEWNENQDTGW-SECBINFHSA-N -1 3 251.355 1.822 10 0 CDAEHM C[C@@H]1CCCN1S(=O)(=O)Nc1cc([O-])cc(F)c1 ZINC000185277447 391575361 /nfs/dbraw/zinc/57/53/61/391575361.db2.gz PUUMNMXFYVFGAD-MRVPVSSYSA-N -1 3 274.317 1.672 10 0 CDAEHM CN(C)c1nc(C(=O)N2CCC(C)(C)C2)cc(=O)[n-]1 ZINC000407993591 391810843 /nfs/dbraw/zinc/81/08/43/391810843.db2.gz ZGUUXSAGDCWRCI-UHFFFAOYSA-N -1 3 264.329 1.120 10 0 CDAEHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@H]1C(F)(F)F ZINC000646287736 392238328 /nfs/dbraw/zinc/23/83/28/392238328.db2.gz XXPHIZQWDZLODO-VIFPVBQESA-N -1 3 270.214 1.735 10 0 CDAEHM O=C([N-]OC1CCOCC1)c1cccc2cc(=O)[nH]cc21 ZINC000529062178 392240489 /nfs/dbraw/zinc/24/04/89/392240489.db2.gz OMHIKMSGAJPJDP-UHFFFAOYSA-N -1 3 288.303 1.781 10 0 CDAEHM Cc1cccc(C(=O)NC(C)(C)C(C)(C)O)c1[O-] ZINC000225922775 130818475 /nfs/dbraw/zinc/81/84/75/130818475.db2.gz MLYJOTPKFZHGPB-UHFFFAOYSA-N -1 3 251.326 1.980 10 0 CDAEHM COc1cc(C(=O)NCC[C@@H]2CCOC2)ccc1[O-] ZINC000442790468 392315387 /nfs/dbraw/zinc/31/53/87/392315387.db2.gz GRPKDKFKAIVLAG-SNVBAGLBSA-N -1 3 265.309 1.557 10 0 CDAEHM CC1(C)OC[C@H]2C[C@]21NC(=O)N=c1cc2ccccn2[n-]1 ZINC000529096520 392249402 /nfs/dbraw/zinc/24/94/02/392249402.db2.gz YFBJJUSAHSCQQE-BMIGLBTASA-N -1 3 286.335 1.445 10 0 CDAEHM C[C@@]1(Br)C[C@H]1C(=O)NCc1ncccc1[O-] ZINC000529220644 392281003 /nfs/dbraw/zinc/28/10/03/392281003.db2.gz AOXLZDAJBVWJGN-WRWORJQWSA-N -1 3 285.141 1.577 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NCc1ncccc1[O-] ZINC000529222521 392283661 /nfs/dbraw/zinc/28/36/61/392283661.db2.gz NPWFPGUSUSYISL-BSTOTGJRSA-N -1 3 264.325 1.463 10 0 CDAEHM CN(CCCO)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000442995693 392361123 /nfs/dbraw/zinc/36/11/23/392361123.db2.gz USYZSLNOTIVORM-UHFFFAOYSA-N -1 3 269.316 1.695 10 0 CDAEHM O=S(=O)([N-][C@@H]1CC[C@@H]2C[C@@H]2C1)c1cncc(F)c1 ZINC000645875713 392442498 /nfs/dbraw/zinc/44/24/98/392442498.db2.gz WOLDCYHETGUYDN-FXPVBKGRSA-N -1 3 270.329 1.688 10 0 CDAEHM COc1nnc(NC(=O)c2cc(F)ccc2F)[n-]1 ZINC000126822114 392593679 /nfs/dbraw/zinc/59/36/79/392593679.db2.gz SXESZKDCMOLSEL-UHFFFAOYSA-N -1 3 254.196 1.344 10 0 CDAEHM COc1nc(NC(=O)c2cc(F)ccc2F)n[n-]1 ZINC000126822114 392593687 /nfs/dbraw/zinc/59/36/87/392593687.db2.gz SXESZKDCMOLSEL-UHFFFAOYSA-N -1 3 254.196 1.344 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cc(F)ccc2F)n1 ZINC000126822114 392593694 /nfs/dbraw/zinc/59/36/94/392593694.db2.gz SXESZKDCMOLSEL-UHFFFAOYSA-N -1 3 254.196 1.344 10 0 CDAEHM CC[C@H]1CC[C@H](C(=O)Nc2cc(-c3nccn3C)[n-]n2)O1 ZINC000269387419 132163690 /nfs/dbraw/zinc/16/36/90/132163690.db2.gz PUMWBUGGTRWLGM-GXSJLCMTSA-N -1 3 289.339 1.706 10 0 CDAEHM CC[C@H]1CC[C@H](C(=O)Nc2cc(-c3nccn3C)n[n-]2)O1 ZINC000269387419 132163691 /nfs/dbraw/zinc/16/36/91/132163691.db2.gz PUMWBUGGTRWLGM-GXSJLCMTSA-N -1 3 289.339 1.706 10 0 CDAEHM C[C@@H]1CCC[C@H](NC(=O)c2cc(=O)[n-]c(N(C)C)n2)[C@H]1C ZINC000338722502 296484921 /nfs/dbraw/zinc/48/49/21/296484921.db2.gz HDQBUQJBHRMGGQ-VWYCJHECSA-N -1 3 292.383 1.803 10 0 CDAEHM COC[C@@]1(C(=O)N=c2[nH][n-]c(C(C)C)c2C)CCOC1 ZINC000649228955 393120538 /nfs/dbraw/zinc/12/05/38/393120538.db2.gz HAOVEUCKBPBZEW-AWEZNQCLSA-N -1 3 281.356 1.255 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000649229140 393120561 /nfs/dbraw/zinc/12/05/61/393120561.db2.gz ORDCADWSCICUPW-AXFHLTTASA-N -1 3 275.352 1.817 10 0 CDAEHM C/C=C\C[C@@H]([N-]S(=O)(=O)C1(C)CC1)C(=O)OCC ZINC000451392437 393250609 /nfs/dbraw/zinc/25/06/09/393250609.db2.gz LXEYKEBUTAELHQ-AYYIZTPMSA-N -1 3 275.370 1.356 10 0 CDAEHM Cc1nccn1C[C@@H](C)CNC(=O)c1ncc(C)cc1[O-] ZINC000495136646 393185379 /nfs/dbraw/zinc/18/53/79/393185379.db2.gz IVCBGTYLYMDCNH-NSHDSACASA-N -1 3 288.351 1.667 10 0 CDAEHM CCCc1ncc(C[N-]S(=O)(=O)CCOC(C)C)o1 ZINC000451954361 393410417 /nfs/dbraw/zinc/41/04/17/393410417.db2.gz ALRQYWKPAIINSL-UHFFFAOYSA-N -1 3 290.385 1.472 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)c1 ZINC000675636922 483343129 /nfs/dbraw/zinc/34/31/29/483343129.db2.gz PNFIVNHIADNVOS-MRVPVSSYSA-N -1 3 279.312 1.369 10 0 CDAEHM O=C(C[C@@H]1NCc2ccccc21)NCc1ncccc1[O-] ZINC000662530476 413099691 /nfs/dbraw/zinc/09/96/91/413099691.db2.gz OIMJICUVOSYUGS-ZDUSSCGKSA-N -1 3 283.331 1.638 10 0 CDAEHM C[C@@H]1CC[C@@H](O)CN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000399248543 398018923 /nfs/dbraw/zinc/01/89/23/398018923.db2.gz OIPSZTBYSUALKK-GHMZBOCLSA-N -1 3 286.331 1.514 10 0 CDAEHM COc1cc(=NC(=O)c2cnc3n2[C@@H](C)CCC3)[n-]n1C ZINC000649937105 398051308 /nfs/dbraw/zinc/05/13/08/398051308.db2.gz VNJURSDPYBDPJK-VIFPVBQESA-N -1 3 289.339 1.197 10 0 CDAEHM O=C(NCC(F)F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000176314428 148036757 /nfs/dbraw/zinc/03/67/57/148036757.db2.gz ZPSWUGXKFMXEND-JTQLQIEISA-N -1 3 298.289 1.378 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000182271515 148252500 /nfs/dbraw/zinc/25/25/00/148252500.db2.gz BTBWFKRPOTVMDS-OAHLLOKOSA-N -1 3 296.326 1.706 10 0 CDAEHM O=C(CSc1ccncc1)NCc1ncccc1[O-] ZINC000352502309 155232318 /nfs/dbraw/zinc/23/23/18/155232318.db2.gz SNHIYFJYKOHMJV-UHFFFAOYSA-N -1 3 275.333 1.591 10 0 CDAEHM Cc1cccc(C(=O)N2CCSC[C@@H]2CCO)c1[O-] ZINC000334229433 149371262 /nfs/dbraw/zinc/37/12/62/149371262.db2.gz IGBPXDDDVFGURW-NSHDSACASA-N -1 3 281.377 1.641 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC2(O)CCCCCC2)o1 ZINC000334236820 149379434 /nfs/dbraw/zinc/37/94/34/149379434.db2.gz LOHRHYSCBTWUDW-UHFFFAOYSA-N -1 3 287.381 1.952 10 0 CDAEHM O=S(=O)(c1ccc([O-])cc1)N1CC2(CCC2(F)F)C1 ZINC000335082881 150271135 /nfs/dbraw/zinc/27/11/35/150271135.db2.gz VZHBJGDUFPKKIA-UHFFFAOYSA-N -1 3 289.303 1.812 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCC[C@H](N2CCCC2=O)C1 ZINC000335834251 151059683 /nfs/dbraw/zinc/05/96/83/151059683.db2.gz BQMZHAPUXMBJBK-ZDUSSCGKSA-N -1 3 288.347 1.619 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-]C(C)(C)C(C)(C)C)cn1C ZINC000336133057 151298518 /nfs/dbraw/zinc/29/85/18/151298518.db2.gz GGVMOLYRNIPDPV-UHFFFAOYSA-N -1 3 273.402 1.832 10 0 CDAEHM CCCCn1ncc(C(=O)Nc2nnc(OC)[n-]2)c1C ZINC000352636817 155317457 /nfs/dbraw/zinc/31/74/57/155317457.db2.gz JTXDACCZJSEFAG-UHFFFAOYSA-N -1 3 278.316 1.371 10 0 CDAEHM CCCCn1ncc(C(=O)Nc2n[n-]c(OC)n2)c1C ZINC000352636817 155317458 /nfs/dbraw/zinc/31/74/58/155317458.db2.gz JTXDACCZJSEFAG-UHFFFAOYSA-N -1 3 278.316 1.371 10 0 CDAEHM CCCCn1ncc(C(=O)Nc2nc(OC)n[n-]2)c1C ZINC000352636817 155317459 /nfs/dbraw/zinc/31/74/59/155317459.db2.gz JTXDACCZJSEFAG-UHFFFAOYSA-N -1 3 278.316 1.371 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2ccnc3ccnn32)c[n-]1 ZINC000340439265 151786281 /nfs/dbraw/zinc/78/62/81/151786281.db2.gz IYKOXNAKQTWBFL-UHFFFAOYSA-N -1 3 285.263 1.096 10 0 CDAEHM COc1ccc(OC)c2c3nn(C)c(=O)c-3c[n-]c12 ZINC000040175621 286345434 /nfs/dbraw/zinc/34/54/34/286345434.db2.gz NHHMYQZJRNXWNL-UHFFFAOYSA-N -1 3 259.265 1.432 10 0 CDAEHM CC(C)OC(=O)[C@@H](C)CNC(=O)NCc1ncccc1[O-] ZINC000349456543 154118428 /nfs/dbraw/zinc/11/84/28/154118428.db2.gz IPWTUVNOUOXBMO-JTQLQIEISA-N -1 3 295.339 1.174 10 0 CDAEHM C[C@H](OCC(=O)Nc1ccccc1[O-])c1nccn1C ZINC000349720761 154195496 /nfs/dbraw/zinc/19/54/96/154195496.db2.gz FVOVEKRYGVZCSQ-JTQLQIEISA-N -1 3 275.308 1.842 10 0 CDAEHM CCOC(=O)CC[C@H](C)NC(=O)NCc1ncccc1[O-] ZINC000349783218 154216496 /nfs/dbraw/zinc/21/64/96/154216496.db2.gz ZIEAATUXHPJHFX-JTQLQIEISA-N -1 3 295.339 1.318 10 0 CDAEHM O=C(NCCOC(F)(F)F)NCc1ncccc1[O-] ZINC000349957081 154286859 /nfs/dbraw/zinc/28/68/59/154286859.db2.gz YRMBPIDYNRMCHF-UHFFFAOYSA-N -1 3 279.218 1.123 10 0 CDAEHM CC1(C)CC(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000352251319 155055256 /nfs/dbraw/zinc/05/52/56/155055256.db2.gz PUJCACJVULFNJB-UHFFFAOYSA-N -1 3 285.351 1.919 10 0 CDAEHM CC1(C)CC(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000352251319 155055261 /nfs/dbraw/zinc/05/52/61/155055261.db2.gz PUJCACJVULFNJB-UHFFFAOYSA-N -1 3 285.351 1.919 10 0 CDAEHM CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000656484245 413338682 /nfs/dbraw/zinc/33/86/82/413338682.db2.gz OAIPYVSWENOUKZ-XQQFMLRXSA-N -1 3 294.395 1.642 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@](C)(O)C2CC2)o1 ZINC000358431302 157936916 /nfs/dbraw/zinc/93/69/16/157936916.db2.gz ULVKUJJMCZZYHC-NSHDSACASA-N -1 3 259.327 1.027 10 0 CDAEHM Cc1nccn1CCCCNC(=O)c1ncc(C)cc1[O-] ZINC000358720423 158002648 /nfs/dbraw/zinc/00/26/48/158002648.db2.gz HBUVUOLZPCHLSL-UHFFFAOYSA-N -1 3 288.351 1.811 10 0 CDAEHM O=C(NC1(CO)Cc2ccccc2C1)c1ccc(O)cc1[O-] ZINC000372449429 160122006 /nfs/dbraw/zinc/12/20/06/160122006.db2.gz ZGAPYBSTRZTVRI-UHFFFAOYSA-N -1 3 299.326 1.358 10 0 CDAEHM COc1cccc([N-]S(=O)(=O)c2ccc(NN)nc2)c1 ZINC000021801128 171326235 /nfs/dbraw/zinc/32/62/35/171326235.db2.gz VYDFHGOBONKKIC-UHFFFAOYSA-N -1 3 294.336 1.177 10 0 CDAEHM NCc1ccccc1S(=O)(=O)[N-]c1cccnc1 ZINC000022167830 171366698 /nfs/dbraw/zinc/36/66/98/171366698.db2.gz FFYSWFAXHZVGHD-UHFFFAOYSA-N -1 3 263.322 1.341 10 0 CDAEHM COC[C@H](CC(C)(C)C)NC(=O)Cc1cncc([O-])c1 ZINC000655410188 412186452 /nfs/dbraw/zinc/18/64/52/412186452.db2.gz UUIASGMCAWWGGM-LBPRGKRZSA-N -1 3 280.368 1.897 10 0 CDAEHM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc2c(c1)CCOC2 ZINC000656644441 413519842 /nfs/dbraw/zinc/51/98/42/413519842.db2.gz OFNRVGBGCSMUET-CQSZACIVSA-N -1 3 297.376 1.680 10 0 CDAEHM COC(=O)CCCCCNC(=O)c1cccc([O-])c1 ZINC000035153414 172016356 /nfs/dbraw/zinc/01/63/56/172016356.db2.gz BXZRDKACESNYKH-UHFFFAOYSA-N -1 3 265.309 1.855 10 0 CDAEHM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc[nH]c1=NN ZINC000035358458 172148230 /nfs/dbraw/zinc/14/82/30/172148230.db2.gz JWCBKXZPWUBVGN-NXEZZACHSA-N -1 3 284.385 1.224 10 0 CDAEHM Cc1ccc(NC(=O)CNCCC(=O)[O-])c(C)c1 ZINC000035386565 172169159 /nfs/dbraw/zinc/16/91/59/172169159.db2.gz JPMSSPBPBBHXLS-UHFFFAOYSA-N -1 3 250.298 1.306 10 0 CDAEHM CCC(CC)NC(=O)[C@@H](C)N[C@H](C(=O)[O-])C(C)C ZINC000035390995 172174823 /nfs/dbraw/zinc/17/48/23/172174823.db2.gz NQRGDWTXRRPHSJ-KOLCDFICSA-N -1 3 258.362 1.379 10 0 CDAEHM CC(C)c1cc([N-]C(=O)C[NH2+]CCCC(=O)[O-])on1 ZINC000035415605 172190484 /nfs/dbraw/zinc/19/04/84/172190484.db2.gz WZGPORHKHVIXTH-UHFFFAOYSA-N -1 3 269.301 1.191 10 0 CDAEHM CC(C)c1cc(NC(=O)CNCCCC(=O)[O-])on1 ZINC000035415605 172190487 /nfs/dbraw/zinc/19/04/87/172190487.db2.gz WZGPORHKHVIXTH-UHFFFAOYSA-N -1 3 269.301 1.191 10 0 CDAEHM O=C([O-])CCCNCC(=O)Nc1ccc(F)cc1Cl ZINC000035415670 172190614 /nfs/dbraw/zinc/19/06/14/172190614.db2.gz QGGYQHYFWVFYFE-UHFFFAOYSA-N -1 3 288.706 1.872 10 0 CDAEHM CO[C@@H](C)CS(=O)(=O)[N-]c1cncc2c1CCCC2 ZINC000656736950 413616734 /nfs/dbraw/zinc/61/67/34/413616734.db2.gz 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/nfs/dbraw/zinc/01/99/01/414019901.db2.gz WOGAQIRFNBWVHF-NSHDSACASA-N -1 3 273.354 1.275 10 0 CDAEHM O=c1[n-]nc(SCc2cncs2)n1C[C@H]1CCCO1 ZINC000657235171 414056769 /nfs/dbraw/zinc/05/67/69/414056769.db2.gz ZGSPQLRPSMXBBU-MRVPVSSYSA-N -1 3 298.393 1.912 10 0 CDAEHM Cc1nnc(SCC(=O)[O-])n1C1CCN(C)CC1 ZINC000037267679 173078032 /nfs/dbraw/zinc/07/80/32/173078032.db2.gz XKBDPRRIHKLZGU-UHFFFAOYSA-N -1 3 270.358 1.030 10 0 CDAEHM CN(C)[C@@H](C(=O)[O-])c1cc2c(c(Cl)c1)OCO2 ZINC000037358182 173147681 /nfs/dbraw/zinc/14/76/81/173147681.db2.gz XDNNXDXVWMKLKY-SECBINFHSA-N -1 3 257.673 1.756 10 0 CDAEHM CCCS(=O)(=O)[N-]c1ccc(OCC)c(C)n1 ZINC000663301980 414128400 /nfs/dbraw/zinc/12/84/00/414128400.db2.gz WHTXGSNMVNBHNC-UHFFFAOYSA-N -1 3 258.343 1.940 10 0 CDAEHM Cc1cn(C)nc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000663267596 414098782 /nfs/dbraw/zinc/09/87/82/414098782.db2.gz MLRYHQIKEGKSPE-LURJTMIESA-N -1 3 276.218 1.106 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@](O)(C3CC3)C2)n1 ZINC000661626344 414226886 /nfs/dbraw/zinc/22/68/86/414226886.db2.gz BQOIHLMNJRHWSC-NHYWBVRUSA-N -1 3 277.368 1.789 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1[O-] ZINC000665527944 414243414 /nfs/dbraw/zinc/24/34/14/414243414.db2.gz YEMLYRKSLZYGOJ-GXTWGEPZSA-N -1 3 288.347 1.371 10 0 CDAEHM Cc1cc([N-]C(=O)[C@@H](C)N2CCc3nccnc3C2)on1 ZINC000662123796 414522996 /nfs/dbraw/zinc/52/29/96/414522996.db2.gz DJVOMOBLJOLUHA-SNVBAGLBSA-N -1 3 287.323 1.158 10 0 CDAEHM CC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000040471135 174279529 /nfs/dbraw/zinc/27/95/29/174279529.db2.gz XHMSHHYFUYBIAJ-AAEUAGOBSA-N -1 3 289.335 1.017 10 0 CDAEHM N[C@@H](CC(=O)N(CC(=O)[O-])C1CC1)c1ccccc1 ZINC000040485139 174288606 /nfs/dbraw/zinc/28/86/06/174288606.db2.gz GYWZMPBSYTUJSI-LBPRGKRZSA-N -1 3 262.309 1.152 10 0 CDAEHM C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2[O-])C1 ZINC000040597592 174349143 /nfs/dbraw/zinc/34/91/43/174349143.db2.gz YGKOCISFNULHFA-SECBINFHSA-N -1 3 293.323 1.164 10 0 CDAEHM C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2[O-])C1 ZINC000040597592 174349144 /nfs/dbraw/zinc/34/91/44/174349144.db2.gz YGKOCISFNULHFA-SECBINFHSA-N -1 3 293.323 1.164 10 0 CDAEHM CCC[C@](C)(NC(=O)N[C@@H]1CCCN(C)C1)C(=O)[O-] ZINC000040716426 174383644 /nfs/dbraw/zinc/38/36/44/174383644.db2.gz QVOOAVSMBHAJIC-MFKMUULPSA-N -1 3 271.361 1.023 10 0 CDAEHM CCN(CC)Cc1ccccc1NC(=O)COCC(=O)[O-] ZINC000041073084 174471783 /nfs/dbraw/zinc/47/17/83/174471783.db2.gz GMRUTTIRMHIFFI-UHFFFAOYSA-N -1 3 294.351 1.568 10 0 CDAEHM CCOC(=O)CCS(=O)(=O)[N-]c1cccc(O)c1 ZINC000042538193 174784663 /nfs/dbraw/zinc/78/46/63/174784663.db2.gz XMSDVOXNDQLIHI-UHFFFAOYSA-N -1 3 273.310 1.087 10 0 CDAEHM Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C(=O)[O-])C(C)C)c(=O)[n-]1 ZINC000043431347 175043385 /nfs/dbraw/zinc/04/33/85/175043385.db2.gz WGWOYVLEVOWETD-LDYMZIIASA-N -1 3 267.329 1.147 10 0 CDAEHM C[C@](N)(C(=O)N1CCC[C@H](CCC(=O)[O-])C1)C1CC1 ZINC000043586291 175071779 /nfs/dbraw/zinc/07/17/79/175071779.db2.gz MLACOCPELQHWID-QMTHXVAHSA-N -1 3 268.357 1.217 10 0 CDAEHM COC[C@@H](C)CNC(=O)c1cccc(OC)c1[O-] ZINC000044479238 175178980 /nfs/dbraw/zinc/17/89/80/175178980.db2.gz VPYPVAMICZPTTF-VIFPVBQESA-N -1 3 253.298 1.413 10 0 CDAEHM COC(=O)c1cc(S(=O)(=O)N[C@H](C)C2CC2)ccc1[O-] ZINC000044493686 175181566 /nfs/dbraw/zinc/18/15/66/175181566.db2.gz QKDHOXZHVRZHKK-MRVPVSSYSA-N -1 3 299.348 1.256 10 0 CDAEHM CCC[C@](C)(NC(=O)NC[C@@H]1CCCCN1C)C(=O)[O-] ZINC000044565655 175208479 /nfs/dbraw/zinc/20/84/79/175208479.db2.gz MYYPKEWCNSLWEB-FZMZJTMJSA-N -1 3 285.388 1.413 10 0 CDAEHM O=C([O-])[C@@H]1c2ccsc2CCN1CCn1cccn1 ZINC000044592454 175213512 /nfs/dbraw/zinc/21/35/12/175213512.db2.gz NJUYVNLSWWVSGB-LBPRGKRZSA-N -1 3 277.349 1.629 10 0 CDAEHM CCNCC(=O)N(CC(=O)[O-])c1ccc(C)cc1 ZINC000044651079 175224843 /nfs/dbraw/zinc/22/48/43/175224843.db2.gz ZMCQTSJPBJTKNO-UHFFFAOYSA-N -1 3 250.298 1.022 10 0 CDAEHM C[C@@H](CNCc1nc(=O)c2sccc2[n-]1)N(C)C ZINC000045107654 175308126 /nfs/dbraw/zinc/30/81/26/175308126.db2.gz ZUPIMSSDLCMAFT-QMMMGPOBSA-N -1 3 266.370 1.024 10 0 CDAEHM C[C@H](CNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)N(C)C ZINC000045111887 175310398 /nfs/dbraw/zinc/31/03/98/175310398.db2.gz IOCYQXXUMJOKNS-LLVKDONJSA-N -1 3 293.367 1.476 10 0 CDAEHM COc1ccc(C(=O)NCCc2nccn2C)c([O-])c1 ZINC000045137375 175314892 /nfs/dbraw/zinc/31/48/92/175314892.db2.gz NCCUVPCHULALQL-UHFFFAOYSA-N -1 3 275.308 1.107 10 0 CDAEHM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(N)cs1 ZINC000070827304 176008183 /nfs/dbraw/zinc/00/81/83/176008183.db2.gz FZHLRHLBTLOSHC-VXNVDRBHSA-N -1 3 260.384 1.797 10 0 CDAEHM CCCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C)c(N)n1 ZINC000071206175 176080109 /nfs/dbraw/zinc/08/01/09/176080109.db2.gz ASMVNXLBHHGUGE-UWVGGRQHSA-N -1 3 286.401 1.342 10 0 CDAEHM N[C@H](C(=O)[O-])c1cc(F)ccc1I ZINC000072197053 176339818 /nfs/dbraw/zinc/33/98/18/176339818.db2.gz DHADGZSRFLVDMN-ZETCQYMHSA-N -1 3 295.051 1.515 10 0 CDAEHM CCC[C@@H](N)C(=O)NCC[C@@H](CCC)CCC(=O)[O-] ZINC000079231292 177452223 /nfs/dbraw/zinc/45/22/23/177452223.db2.gz UTYLZHOIOWVQLL-NWDGAFQWSA-N -1 3 272.389 1.901 10 0 CDAEHM C[C@@H]1CCN(C(=O)c2cccc([O-])c2)CCS1(=O)=O ZINC000277297085 287572736 /nfs/dbraw/zinc/57/27/36/287572736.db2.gz ORUJDROWGRYGOC-SNVBAGLBSA-N -1 3 283.349 1.041 10 0 CDAEHM O=C(N[C@@H]1CCC[C@H](CO)C1)c1cccc2nn[n-]c21 ZINC000520996686 263127685 /nfs/dbraw/zinc/12/76/85/263127685.db2.gz NNFHMHBYGXNKKF-VHSXEESVSA-N -1 3 274.324 1.239 10 0 CDAEHM O=C(N[C@@H]1CCC[C@H](CO)C1)c1cccc2[n-]nnc21 ZINC000520996686 263127686 /nfs/dbraw/zinc/12/76/86/263127686.db2.gz NNFHMHBYGXNKKF-VHSXEESVSA-N -1 3 274.324 1.239 10 0 CDAEHM O=C(N[C@@H]1CCC[C@H](CO)C1)c1cccc2n[n-]nc21 ZINC000520996686 263127687 /nfs/dbraw/zinc/12/76/87/263127687.db2.gz NNFHMHBYGXNKKF-VHSXEESVSA-N -1 3 274.324 1.239 10 0 CDAEHM CNc1ncc([C@]([O-])(c2ncnn2C)C(F)(F)F)s1 ZINC000048252102 424163837 /nfs/dbraw/zinc/16/38/37/424163837.db2.gz RTNUJSUWCPSVBU-QMMMGPOBSA-N -1 3 293.274 1.112 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)N[C@H](CO)C1CCC1 ZINC000664191994 424174900 /nfs/dbraw/zinc/17/49/00/424174900.db2.gz XIXDMYDHJGRCHC-GFCCVEGCSA-N -1 3 282.315 1.492 10 0 CDAEHM CCC(C)(C)[C@H](C)NC(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000659629415 424448069 /nfs/dbraw/zinc/44/80/69/424448069.db2.gz SDZLCRSIXBIOST-VIFPVBQESA-N -1 3 295.387 1.265 10 0 CDAEHM CCOc1ccc(CN2C[C@@H](OC)C[C@H]2CC(=O)[O-])nc1 ZINC000652503377 424503402 /nfs/dbraw/zinc/50/34/02/424503402.db2.gz BJQLGBBPIXOPQX-JSGCOSHPSA-N -1 3 294.351 1.544 10 0 CDAEHM CC(C)OCCN1CCc2occc2[C@H]1C(=O)[O-] ZINC000530166084 271122492 /nfs/dbraw/zinc/12/24/92/271122492.db2.gz XNZATUGNVPZBGV-LBPRGKRZSA-N -1 3 253.298 1.688 10 0 CDAEHM COC(=O)[C@@H]1CCCCN1C(=O)c1cc(C)ccc1[O-] ZINC000106098571 277083657 /nfs/dbraw/zinc/08/36/57/277083657.db2.gz NOEJXFMEPKYLEO-LBPRGKRZSA-N -1 3 277.320 1.868 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)CC(=O)N1C ZINC000291594160 288019441 /nfs/dbraw/zinc/01/94/41/288019441.db2.gz QBENXBJIIGTFIM-MRVPVSSYSA-N -1 3 282.727 1.348 10 0 CDAEHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000295368915 278414784 /nfs/dbraw/zinc/41/47/84/278414784.db2.gz SKSDVCRSPWKBJU-VIFPVBQESA-N -1 3 290.772 1.581 10 0 CDAEHM O=S(=O)([N-]CCC[C@H]1CCCC[C@@H]1O)c1c[nH]cn1 ZINC000127929747 279548346 /nfs/dbraw/zinc/54/83/46/279548346.db2.gz MHTMOEDGDNIOIV-MNOVXSKESA-N -1 3 287.385 1.019 10 0 CDAEHM Cc1ncc(Cl)c(C(=O)[N-]c2nc3ccccn3n2)n1 ZINC000132727656 279715953 /nfs/dbraw/zinc/71/59/53/279715953.db2.gz CKZOWRNADGVHST-UHFFFAOYSA-N -1 3 288.698 1.733 10 0 CDAEHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000356340735 280054167 /nfs/dbraw/zinc/05/41/67/280054167.db2.gz MZFATPVQTXCUKG-GDPRMGEGSA-N -1 3 285.307 1.230 10 0 CDAEHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000356340735 280054171 /nfs/dbraw/zinc/05/41/71/280054171.db2.gz MZFATPVQTXCUKG-GDPRMGEGSA-N -1 3 285.307 1.230 10 0 CDAEHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000356340735 280054173 /nfs/dbraw/zinc/05/41/73/280054173.db2.gz MZFATPVQTXCUKG-GDPRMGEGSA-N -1 3 285.307 1.230 10 0 CDAEHM C[C@@]1(c2cccc(C(=O)N[C@@H]3CC34CC4)c2)NC(=O)[N-]C1=O ZINC000519596364 281028582 /nfs/dbraw/zinc/02/85/82/281028582.db2.gz SISFWXQBSHCBHY-ABAIWWIYSA-N -1 3 299.330 1.024 10 0 CDAEHM CC[C@H]1CCCN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000338817935 281079548 /nfs/dbraw/zinc/07/95/48/281079548.db2.gz VXLOIENDFLYDHA-VIFPVBQESA-N -1 3 264.329 1.263 10 0 CDAEHM CC[C@H]1CN(C(=O)c2ccccc2[O-])C[C@@]2(CCOC2)O1 ZINC000366543200 281151475 /nfs/dbraw/zinc/15/14/75/281151475.db2.gz ZSDGQRIOETZGTA-BLLLJJGKSA-N -1 3 291.347 1.802 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1CCN1C1CCCCC1)c1ccco1 ZINC000528473867 281239321 /nfs/dbraw/zinc/23/93/21/281239321.db2.gz IZAHNRRQHJNRKM-ZDUSSCGKSA-N -1 3 298.408 1.965 10 0 CDAEHM Cc1nc([N-]C(=O)c2nc3nc(C)cc(C)n3n2)cs1 ZINC000532797887 282045706 /nfs/dbraw/zinc/04/57/06/282045706.db2.gz PCZDONWUZYZEDK-UHFFFAOYSA-N -1 3 288.336 1.758 10 0 CDAEHM CCn1cccc(CN=c2[n-]ccnc2OC(F)F)c1=O 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COc1cc(=NC(=O)[C@@H](C)Oc2ccccc2)[n-]n1C ZINC000548471296 289891549 /nfs/dbraw/zinc/89/15/49/289891549.db2.gz ZFIMYEDDJJFADX-SNVBAGLBSA-N -1 3 275.308 1.257 10 0 CDAEHM O=C([O-])[C@@]1(NCc2ccc(N3CCCC3)nc2)CCOC1 ZINC000551422839 290007038 /nfs/dbraw/zinc/00/70/38/290007038.db2.gz KKMZJAJVQTVGSD-OAHLLOKOSA-N -1 3 291.351 1.015 10 0 CDAEHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1ncn(C)n1 ZINC000552356651 290066712 /nfs/dbraw/zinc/06/67/12/290066712.db2.gz HGVMVDHWBMWWPX-UHFFFAOYSA-N -1 3 261.285 1.316 10 0 CDAEHM O=C(N=c1cc2ccccn2[n-]1)c1cnc2cnccc2c1 ZINC000552988143 290088803 /nfs/dbraw/zinc/08/88/03/290088803.db2.gz PEYNWZMFTOLSKP-UHFFFAOYSA-N -1 3 289.298 1.952 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2ccsc2)nc1=N ZINC000555532534 290223257 /nfs/dbraw/zinc/22/32/57/290223257.db2.gz XRZVUFVIXUHMTP-VIFPVBQESA-N -1 3 277.353 1.266 10 0 CDAEHM Cc1c(C(=O)N=c2cc3ccccn3[n-]2)nnn1C(C)C ZINC000556936230 290317050 /nfs/dbraw/zinc/31/70/50/290317050.db2.gz VAZRWVJSNPRLMV-UHFFFAOYSA-N -1 3 284.323 1.489 10 0 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CCN(Cc1cc(C(N)=O)ccc1F)C[C@H](C)C(=O)[O-] ZINC000061220479 521286229 /nfs/dbraw/zinc/28/62/29/521286229.db2.gz ZOWGIRJNNQJPKO-VIFPVBQESA-N -1 3 282.315 1.467 10 0 CDAEHM CCC(CC)(CC(=O)N[C@H](C)CN1CCCC1)C(=O)[O-] ZINC000049153921 521386049 /nfs/dbraw/zinc/38/60/49/521386049.db2.gz AMRDRABBQGPCIZ-GFCCVEGCSA-N -1 3 284.400 1.868 10 0 CDAEHM CC(C)(C)c1ccc(NC(=O)CCNC(N)=O)c([O-])c1 ZINC000337433670 519034187 /nfs/dbraw/zinc/03/41/87/519034187.db2.gz WDLXPMXKGYEIQD-UHFFFAOYSA-N -1 3 279.340 1.687 10 0 CDAEHM CC(C)CN1CCN(c2ccc3c(c2)[N-]C(=O)C3=O)CC1 ZINC000055079707 519728810 /nfs/dbraw/zinc/72/88/10/519728810.db2.gz AXZKHINWCGSPIL-UHFFFAOYSA-N -1 3 287.363 1.599 10 0 CDAEHM CCOCCN(C)S(=O)(=O)c1ccc([O-])cc1 ZINC000158080311 519904797 /nfs/dbraw/zinc/90/47/97/519904797.db2.gz IRVPHRAFPCFNCF-UHFFFAOYSA-N -1 3 259.327 1.049 10 0 CDAEHM CCN(C(=O)NC[C@H]1CCCN(C)C1)C(C)(C)C(=O)[O-] ZINC000061176734 519967255 /nfs/dbraw/zinc/96/72/55/519967255.db2.gz KJNWKKKMSURXCR-LLVKDONJSA-N -1 3 285.388 1.223 10 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291.351 1.991 10 0 CDAEHM CCN1CCC[C@H](n2cnnc2SCC(=O)[O-])C1 ZINC000049219810 521650355 /nfs/dbraw/zinc/65/03/55/521650355.db2.gz AHBBANJYGZSQOK-VIFPVBQESA-N -1 3 270.358 1.112 10 0 CDAEHM CCCN1C(=O)C[C@@H](N2CC[C@](CCC)(C(=O)[O-])C2)C1=O ZINC000062937701 521699586 /nfs/dbraw/zinc/69/95/86/521699586.db2.gz SACKYKCYDXVKGR-ABAIWWIYSA-N -1 3 296.367 1.101 10 0 CDAEHM CC[C@H](C)[C@@H](C)NC(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000061146053 521807246 /nfs/dbraw/zinc/80/72/46/521807246.db2.gz LREXQNSSYYKPHH-NWDGAFQWSA-N -1 3 285.388 1.223 10 0 CDAEHM CNCc1cccc(NC(=O)N[C@H](CCOC)C(=O)[O-])c1 ZINC000052787440 522129631 /nfs/dbraw/zinc/12/96/31/522129631.db2.gz BJYNUOQSVNPXNE-GFCCVEGCSA-N -1 3 295.339 1.017 10 0 CDAEHM CC[C@@H](C)[C@@H](NC(=O)N1CCC[C@@H]1CN(C)C)C(=O)[O-] ZINC000061653862 522307948 /nfs/dbraw/zinc/30/79/48/522307948.db2.gz OAWXANHMZXIGDD-IJLUTSLNSA-N -1 3 285.388 1.221 10 0 CDAEHM CN[C@@](CO[C@H](C)COC)(C(=O)[O-])c1ccccc1 ZINC000069510846 522428556 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284.335 1.046 10 0 CDAEHM O=C(NCC1(c2ccc(F)cc2)CC1)c1cnncc1[O-] ZINC001433617939 960458305 /nfs/dbraw/zinc/45/83/05/960458305.db2.gz YRGFWJBGHAKWBO-UHFFFAOYSA-N -1 3 287.294 1.783 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)c1ccnc(F)c1F ZINC001436228380 962150051 /nfs/dbraw/zinc/15/00/51/962150051.db2.gz FMULJBUHXWGEQE-UHFFFAOYSA-N -1 3 282.206 1.122 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)c1ccnc(F)c1F ZINC001436228380 962150058 /nfs/dbraw/zinc/15/00/58/962150058.db2.gz FMULJBUHXWGEQE-UHFFFAOYSA-N -1 3 282.206 1.122 10 0 CDAEHM O=C(c1cncc2nc[nH]c21)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001557319476 965164367 /nfs/dbraw/zinc/16/43/67/965164367.db2.gz MITWKIZYJNJIOG-QMMMGPOBSA-N -1 3 298.306 1.016 10 0 CDAEHM O=C(NC[C@@H]1C=CCC1)c1cc(F)cc2n[n-]nc21 ZINC001558123909 965235224 /nfs/dbraw/zinc/23/52/24/965235224.db2.gz LACWMAYXWWVNTI-MRVPVSSYSA-N -1 3 260.272 1.793 10 0 CDAEHM Cc1ccc(-c2cc(C(=O)OC[C@H]3CCO3)n[n-]2)o1 ZINC001347272964 965447258 /nfs/dbraw/zinc/44/72/58/965447258.db2.gz 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COc1cc(=NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)[n-]n1C ZINC000626500613 346179093 /nfs/dbraw/zinc/17/90/93/346179093.db2.gz IXWZJUHSQLEZFD-BYCMXARLSA-N -1 3 283.331 1.375 10 0 CDAEHM Cc1cnc(N)c(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c1 ZINC000672428959 482555169 /nfs/dbraw/zinc/55/51/69/482555169.db2.gz IAFKUHZGZCTDSX-VIFPVBQESA-N -1 3 291.323 1.438 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@@]3(C)C2)cc1[O-] ZINC000618701593 346239316 /nfs/dbraw/zinc/23/93/16/346239316.db2.gz JPBXKDWBISHTMJ-MLGOLLRUSA-N -1 3 289.331 1.703 10 0 CDAEHM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)NCCN1CCCCC1 ZINC000085339223 179024888 /nfs/dbraw/zinc/02/48/88/179024888.db2.gz LKMLWKAVCCWRJX-RYUDHWBXSA-N -1 3 283.372 1.025 10 0 CDAEHM CC(C)C[C@@H](CN(C)C)NC(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000085339090 179025036 /nfs/dbraw/zinc/02/50/36/179025036.db2.gz NWFWSOWGHXJJJT-AVGNSLFASA-N -1 3 299.415 1.515 10 0 CDAEHM C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-])N1CCCCC1 ZINC000085340877 179026083 /nfs/dbraw/zinc/02/60/83/179026083.db2.gz SCOWEIBQQDKILB-FRRDWIJNSA-N -1 3 297.399 1.413 10 0 CDAEHM C[C@@]12COC[C@H]1CN(C(=O)c1cc(F)cc3[n-]nnc31)C2 ZINC000618706919 346333090 /nfs/dbraw/zinc/33/30/90/346333090.db2.gz QYZQNMKHSOPFQN-XLKFXECMSA-N -1 3 290.298 1.206 10 0 CDAEHM C[C@@]12COC[C@H]1CN(C(=O)c1cc(F)cc3nn[n-]c31)C2 ZINC000618706919 346333092 /nfs/dbraw/zinc/33/30/92/346333092.db2.gz QYZQNMKHSOPFQN-XLKFXECMSA-N -1 3 290.298 1.206 10 0 CDAEHM C[C@@]12COC[C@H]1CN(C(=O)c1cc(F)cc3n[n-]nc31)C2 ZINC000618706919 346333094 /nfs/dbraw/zinc/33/30/94/346333094.db2.gz QYZQNMKHSOPFQN-XLKFXECMSA-N -1 3 290.298 1.206 10 0 CDAEHM Cc1nc(-c2ccc(N(C)C)cc2)[n-]c(=O)c1CCO ZINC000085404041 179053659 /nfs/dbraw/zinc/05/36/59/179053659.db2.gz FVLJKPMFVMRBHZ-UHFFFAOYSA-N -1 3 273.336 1.346 10 0 CDAEHM COc1cc(Cc2cnc(N)[n-]c2=O)cc(OC)c1 ZINC000584634280 346510933 /nfs/dbraw/zinc/51/09/33/346510933.db2.gz PQOGSBDDWOJUHF-UHFFFAOYSA-N -1 3 261.281 1.203 10 0 CDAEHM CCCCOC[C@H](O)CN1CCSC[C@@H]1CC(=O)[O-] ZINC000227904024 346533801 /nfs/dbraw/zinc/53/38/01/346533801.db2.gz DCNFANFXRVLBLS-NWDGAFQWSA-N -1 3 291.413 1.056 10 0 CDAEHM CC(C)N(Cc1ccccc1)C(=O)[C@H](N)CC(=O)[O-] ZINC000085811157 179177715 /nfs/dbraw/zinc/17/77/15/179177715.db2.gz RUSWYQRWIRFFJC-GFCCVEGCSA-N -1 3 264.325 1.226 10 0 CDAEHM CCC[C@@H](NC(=O)[C@@H](N)CC(=O)[O-])c1ccccc1 ZINC000085813981 179178147 /nfs/dbraw/zinc/17/81/47/179178147.db2.gz JWNOZAGBRSVORB-NWDGAFQWSA-N -1 3 264.325 1.446 10 0 CDAEHM N[C@@H](CCC(=O)[O-])C(=O)N[C@@H]1CCCc2ccccc21 ZINC000085819071 179182014 /nfs/dbraw/zinc/18/20/14/179182014.db2.gz BAMQTKPLTMPMAK-QWHCGFSZSA-N -1 3 276.336 1.372 10 0 CDAEHM Cc1ccc(CN(C(=O)[C@@H](N)CCC(=O)[O-])C2CC2)cc1 ZINC000085839104 179184798 /nfs/dbraw/zinc/18/47/98/179184798.db2.gz CLBOVTMDSPBJLR-AWEZNQCLSA-N -1 3 290.363 1.678 10 0 CDAEHM COc1ccccc1[C@@H](C)N(C)C(=O)[C@H](N)CC(=O)[O-] ZINC000085815927 179180220 /nfs/dbraw/zinc/18/02/20/179180220.db2.gz UHSWRORVWPYAIR-MWLCHTKSSA-N -1 3 280.324 1.017 10 0 CDAEHM Cc1ccc(CN(C)C(=O)[C@H](N)CC(=O)[O-])c(C)c1 ZINC000085815809 179180249 /nfs/dbraw/zinc/18/02/49/179180249.db2.gz HHTQCIQNUXSYPM-GFCCVEGCSA-N -1 3 264.325 1.064 10 0 CDAEHM Cc1ccc(NC(=O)[C@H](N)CCC(=O)[O-])cc1Cl ZINC000085818383 179180902 /nfs/dbraw/zinc/18/09/02/179180902.db2.gz AVKBAKSMOSEQQR-SNVBAGLBSA-N -1 3 270.716 1.779 10 0 CDAEHM CC(C)[C@@H]1CCCN(C(=O)[C@H](N)CC(=O)[O-])CC1 ZINC000085818272 179181064 /nfs/dbraw/zinc/18/10/64/179181064.db2.gz DSRGWECSDUGKPX-GHMZBOCLSA-N -1 3 256.346 1.073 10 0 CDAEHM CC[C@@H](NC(=O)[C@H](N)CC(=O)[O-])c1ccccc1 ZINC000085817860 179181269 /nfs/dbraw/zinc/18/12/69/179181269.db2.gz FEWKJVFMEVHWNW-GHMZBOCLSA-N -1 3 250.298 1.056 10 0 CDAEHM Cc1ccc([O-])c(C(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000085976213 179207791 /nfs/dbraw/zinc/20/77/91/179207791.db2.gz QIKVDICJKUDDNF-AAEUAGOBSA-N -1 3 263.337 1.982 10 0 CDAEHM O=C(NC[C@@H]1C[C@H]1c1cccnc1)c1cc(=O)[n-]cn1 ZINC000626874934 347419782 /nfs/dbraw/zinc/41/97/82/347419782.db2.gz UVBJBAFZTMIZIV-QWRGUYRKSA-N -1 3 270.292 1.111 10 0 CDAEHM CN1CCOC[C@H]1CNCc1cccc([O-])c1Cl ZINC000623712361 347651890 /nfs/dbraw/zinc/65/18/90/347651890.db2.gz BZNVLFNLQSDOLG-LLVKDONJSA-N -1 3 270.760 1.466 10 0 CDAEHM COc1ccc(NC(=O)[C@H](OC)[C@@H]2CCOC2)c([O-])c1 ZINC000613832933 347918174 /nfs/dbraw/zinc/91/81/74/347918174.db2.gz OWKIZQLVNXWWGF-NOZJJQNGSA-N -1 3 281.308 1.391 10 0 CDAEHM Cc1ccn([C@@H](C)CC(=O)N=c2cc3ccccn3[n-]2)n1 ZINC000614707699 348201236 /nfs/dbraw/zinc/20/12/36/348201236.db2.gz BCZMBYPEFXVNRU-LBPRGKRZSA-N -1 3 283.335 1.851 10 0 CDAEHM CC1(C)OC[C@H]2C[C@]21C(=O)N=c1cc2ccccn2[n-]1 ZINC000614708350 348201283 /nfs/dbraw/zinc/20/12/83/348201283.db2.gz GWODWSJLMPBJAV-MEBBXXQBSA-N -1 3 271.320 1.510 10 0 CDAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@H]1C[C@@H]1C ZINC000614829243 348243463 /nfs/dbraw/zinc/24/34/63/348243463.db2.gz YMGAEQNTVIFJHW-VLEAKVRGSA-N -1 3 291.351 1.523 10 0 CDAEHM C[C@@H](NC(=O)[C@H]1C[C@@H]1C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614829237 348243498 /nfs/dbraw/zinc/24/34/98/348243498.db2.gz YMGAEQNTVIFJHW-MMWGEVLESA-N -1 3 291.351 1.523 10 0 CDAEHM CC(=O)CCC(C)(C)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614922308 348274249 /nfs/dbraw/zinc/27/42/49/348274249.db2.gz FBYNJJSNDLADGS-UHFFFAOYSA-N -1 3 281.356 1.154 10 0 CDAEHM CC1(C)CCC[C@](O)(C(=O)NCCCc2cc(=O)[nH][n-]2)C1 ZINC000614923296 348274904 /nfs/dbraw/zinc/27/49/04/348274904.db2.gz RUTRNBFQTRDFGJ-OAHLLOKOSA-N -1 3 295.383 1.090 10 0 CDAEHM O=C(c1cccc2[n-]nnc21)N1CC[C@@H]1C(F)(F)F ZINC000615029493 348310520 /nfs/dbraw/zinc/31/05/20/348310520.db2.gz IJGANNJQIRIJPQ-MRVPVSSYSA-N -1 3 270.214 1.735 10 0 CDAEHM O=C(c1cccc2nn[n-]c21)N1CC[C@@H]1C(F)(F)F ZINC000615029493 348310522 /nfs/dbraw/zinc/31/05/22/348310522.db2.gz IJGANNJQIRIJPQ-MRVPVSSYSA-N -1 3 270.214 1.735 10 0 CDAEHM O=C(c1cccc2n[n-]nc21)N1CC[C@@H]1C(F)(F)F ZINC000615029493 348310525 /nfs/dbraw/zinc/31/05/25/348310525.db2.gz IJGANNJQIRIJPQ-MRVPVSSYSA-N -1 3 270.214 1.735 10 0 CDAEHM O=C(c1csc(=O)[n-]1)N1CC[C@@H]1C(F)(F)F ZINC000615029282 348310541 /nfs/dbraw/zinc/31/05/41/348310541.db2.gz ICJPGVCTIIDKHM-RXMQYKEDSA-N -1 3 252.217 1.626 10 0 CDAEHM O=C(NN1CCCNC1=O)c1ccc2c(c1[O-])CCCC2 ZINC000273448644 192154403 /nfs/dbraw/zinc/15/44/03/192154403.db2.gz BPLVVZMSPQIDFT-UHFFFAOYSA-N -1 3 289.335 1.331 10 0 CDAEHM C[C@](O)(CC(=O)[N-]OCc1ccc(F)cc1)C1CC1 ZINC000273461307 192161249 /nfs/dbraw/zinc/16/12/49/192161249.db2.gz QOGHGGLURNZLLJ-AWEZNQCLSA-N -1 3 267.300 1.925 10 0 CDAEHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@H]1c1cn[nH]c1 ZINC000615903527 348968620 /nfs/dbraw/zinc/96/86/20/348968620.db2.gz VLDBJCVIHQNPEM-ZDUSSCGKSA-N -1 3 282.307 1.658 10 0 CDAEHM Cc1nc(C)c(CC(=O)N[C@H]2C[C@H]2c2ccccc2)c(=O)[n-]1 ZINC000067811008 349037945 /nfs/dbraw/zinc/03/79/45/349037945.db2.gz MBVVVWZSQZZGII-GJZGRUSLSA-N -1 3 297.358 1.602 10 0 CDAEHM NC(=O)c1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)c[nH]1 ZINC000271215990 191008016 /nfs/dbraw/zinc/00/80/16/191008016.db2.gz ABMSZZBNACBLEI-UHFFFAOYSA-N -1 3 299.330 1.950 10 0 CDAEHM O=C(NCCOCCF)c1cc2c(cc1[O-])CCCC2 ZINC000621091002 350425292 /nfs/dbraw/zinc/42/52/92/350425292.db2.gz JTCBISYCJWSRTF-UHFFFAOYSA-N -1 3 281.327 1.987 10 0 CDAEHM NC[C@H]1CCCN1C(=O)N=c1ncn(C2CCCCC2)[n-]1 ZINC000333198965 362958097 /nfs/dbraw/zinc/95/80/97/362958097.db2.gz XAMNLEMNDFHCBP-GFCCVEGCSA-N -1 3 292.387 1.160 10 0 CDAEHM Cc1cccc(N(C)Cc2cc(=O)n3nc(N)[n-]c3n2)c1C ZINC000621249084 350502659 /nfs/dbraw/zinc/50/26/59/350502659.db2.gz IOICHFKGAAMFIW-UHFFFAOYSA-N -1 3 298.350 1.083 10 0 CDAEHM Cc1cn2c(n1)CN(C(=O)c1cc(F)c[n-]c1=O)CC2 ZINC000621949655 350884747 /nfs/dbraw/zinc/88/47/47/350884747.db2.gz QDCOVFHJXZTJGW-UHFFFAOYSA-N -1 3 276.271 1.087 10 0 CDAEHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCCSCC1 ZINC000264247965 363008777 /nfs/dbraw/zinc/00/87/77/363008777.db2.gz QDUHNJDOEXXPFN-UHFFFAOYSA-N -1 3 290.344 1.149 10 0 CDAEHM CCCn1c(=O)[n-]nc1SCCOC[C@@H]1CCCO1 ZINC000123780782 351285759 /nfs/dbraw/zinc/28/57/59/351285759.db2.gz POHWBDYKPYCILB-JTQLQIEISA-N -1 3 287.385 1.681 10 0 CDAEHM CC(C)N(C(=O)c1ccc(O)cc1[O-])[C@H]1CCOC1 ZINC000291437471 198022159 /nfs/dbraw/zinc/02/21/59/198022159.db2.gz AWNQIZMYCQEVRZ-JTQLQIEISA-N -1 3 265.309 1.737 10 0 CDAEHM Cc1cnn([C@H]2CCN(C(=O)c3cccc([O-])c3)C2)c1 ZINC000291926348 198107818 /nfs/dbraw/zinc/10/78/18/198107818.db2.gz BKSRRBKHQQELJP-ZDUSSCGKSA-N -1 3 271.320 1.984 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CC2CCC2)nc1=N ZINC000557521838 290349660 /nfs/dbraw/zinc/34/96/60/290349660.db2.gz XXPMYCALFYYHSQ-SNVBAGLBSA-N -1 3 263.345 1.081 10 0 CDAEHM COc1nnc(NC(=O)Cc2ccc(OC(F)F)cc2)[n-]1 ZINC000158189954 188362692 /nfs/dbraw/zinc/36/26/92/188362692.db2.gz ZLRXSFHSTGCWGD-UHFFFAOYSA-N -1 3 298.249 1.596 10 0 CDAEHM COc1nc(NC(=O)Cc2ccc(OC(F)F)cc2)n[n-]1 ZINC000158189954 188362693 /nfs/dbraw/zinc/36/26/93/188362693.db2.gz ZLRXSFHSTGCWGD-UHFFFAOYSA-N -1 3 298.249 1.596 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2ccc(OC(F)F)cc2)n1 ZINC000158189954 188362694 /nfs/dbraw/zinc/36/26/94/188362694.db2.gz ZLRXSFHSTGCWGD-UHFFFAOYSA-N -1 3 298.249 1.596 10 0 CDAEHM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000451699257 363423797 /nfs/dbraw/zinc/42/37/97/363423797.db2.gz UQHDMUOEPPYLFM-SNVBAGLBSA-N -1 3 274.317 1.067 10 0 CDAEHM CCNC(=O)N1CC[C@@H](NC(=O)c2ccc([O-])c(C)c2)C1 ZINC000272695419 191869730 /nfs/dbraw/zinc/86/97/30/191869730.db2.gz VDFZSQBEKXNRMM-GFCCVEGCSA-N -1 3 291.351 1.234 10 0 CDAEHM Cc1noc([N-]C(=O)C(=O)c2c(C)nn(C)c2C)c1C ZINC000266119778 363489589 /nfs/dbraw/zinc/48/95/89/363489589.db2.gz BTPJLANXQPXMKS-UHFFFAOYSA-N -1 3 276.296 1.463 10 0 CDAEHM C[C@H]1CC(CNC(=O)c2cc(=O)[n-]cn2)C[C@H](C)C1 ZINC000628059294 356649795 /nfs/dbraw/zinc/64/97/95/356649795.db2.gz MSIMAYGDNQDHQI-NXEZZACHSA-N -1 3 263.341 1.984 10 0 CDAEHM C[C@H]1c2ccccc2C[C@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000628070819 356874978 /nfs/dbraw/zinc/87/49/78/356874978.db2.gz KNROFFOFKAMSRL-JOYOIKCWSA-N -1 3 269.304 1.640 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)C2CC3(CCC3)C2)nc1=N ZINC000582067064 357483999 /nfs/dbraw/zinc/48/39/99/357483999.db2.gz DDJQIFWJNPJJQI-NSHDSACASA-N -1 3 289.383 1.471 10 0 CDAEHM C[C@@]1(CCNC(=O)c2cc(=O)[n-]cn2)CC1(F)F ZINC000628090315 357663200 /nfs/dbraw/zinc/66/32/00/357663200.db2.gz IXFMVHPXWOMFMW-SNVBAGLBSA-N -1 3 257.240 1.347 10 0 CDAEHM O=C(NOC[C@@H]1CCOC1)c1ccc2c(c1[O-])CCCC2 ZINC000188329412 357880211 /nfs/dbraw/zinc/88/02/11/357880211.db2.gz HQHDPYIDQBDQDP-LLVKDONJSA-N -1 3 291.347 1.969 10 0 CDAEHM COC(=O)[C@@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000082265493 358153571 /nfs/dbraw/zinc/15/35/71/358153571.db2.gz PDXCYWAUOSKDOR-LLVKDONJSA-N -1 3 263.293 1.417 10 0 CDAEHM CO[C@@H]1CN([C@@H](C)c2nc(C)cc(=O)[n-]2)CC[C@@H]1C ZINC000192806503 358237994 /nfs/dbraw/zinc/23/79/94/358237994.db2.gz WSUKIQXPMSFZBA-ZMLRMANQSA-N -1 3 265.357 1.908 10 0 CDAEHM COc1ccc(NC(=O)CN2CC(C)(C)C2)c([O-])c1 ZINC000569352826 358302133 /nfs/dbraw/zinc/30/21/33/358302133.db2.gz FQWFTONOGCNSSN-UHFFFAOYSA-N -1 3 264.325 1.681 10 0 CDAEHM O=C([N-][C@@H]1CCN(c2ccccc2)C1=O)C(F)F ZINC000194593018 358382153 /nfs/dbraw/zinc/38/21/53/358382153.db2.gz PUXUIFBZQXTPBF-SECBINFHSA-N -1 3 254.236 1.173 10 0 CDAEHM CCc1nnc(C[S@](=O)c2cccc([O-])c2)n1C ZINC000194632185 358385250 /nfs/dbraw/zinc/38/52/50/358385250.db2.gz XFQCVUIBQMOXHG-SFHVURJKSA-N -1 3 265.338 1.391 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1CCCCN1)c1nc2ccccc2o1 ZINC000095073323 358673396 /nfs/dbraw/zinc/67/33/96/358673396.db2.gz ALTXNOIKFSYWSF-JTQLQIEISA-N -1 3 295.364 1.248 10 0 CDAEHM Cc1ccc([C@H]2CSCCN2C[C@](C)(O)C(=O)[O-])cc1 ZINC000569611592 358809749 /nfs/dbraw/zinc/80/97/49/358809749.db2.gz IQQUDCMQONUJCM-HIFRSBDPSA-N -1 3 295.404 1.921 10 0 CDAEHM Cc1noc(CCNC(=O)c2ccc(C)c(C)c2[O-])n1 ZINC000101663573 358858278 /nfs/dbraw/zinc/85/82/78/358858278.db2.gz QMDYILLLMNLBSN-UHFFFAOYSA-N -1 3 275.308 1.673 10 0 CDAEHM COC(=O)CCCON=C([O-])Nc1cccc2nonc21 ZINC000296799084 200001187 /nfs/dbraw/zinc/00/11/87/200001187.db2.gz QRLKZUWYUXOLKC-UHFFFAOYSA-N -1 3 294.267 1.229 10 0 CDAEHM COC(=O)CCCO[N-]C(=O)Nc1cccc2nonc21 ZINC000296799084 200001189 /nfs/dbraw/zinc/00/11/89/200001189.db2.gz QRLKZUWYUXOLKC-UHFFFAOYSA-N -1 3 294.267 1.229 10 0 CDAEHM O=C(Nc1cnccc1CO)c1cc(-c2ccco2)[n-]n1 ZINC000347713194 359542258 /nfs/dbraw/zinc/54/22/58/359542258.db2.gz GEGLROZWNAXTFP-UHFFFAOYSA-N -1 3 284.275 1.809 10 0 CDAEHM O=C(Nc1cnccc1CO)c1cc(-c2ccco2)n[n-]1 ZINC000347713194 359542264 /nfs/dbraw/zinc/54/22/64/359542264.db2.gz GEGLROZWNAXTFP-UHFFFAOYSA-N -1 3 284.275 1.809 10 0 CDAEHM O=C([O-])COCCNCc1ccc(Cl)c(F)c1 ZINC000310312780 359554864 /nfs/dbraw/zinc/55/48/64/359554864.db2.gz FBYUBQFIKBJTAT-UHFFFAOYSA-N -1 3 261.680 1.670 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2CCOCC2CCCC2)nc1=N ZINC000560596823 359870405 /nfs/dbraw/zinc/87/04/05/359870405.db2.gz WNXGMMLHMIHUIC-CYBMUJFWSA-N -1 3 293.415 1.571 10 0 CDAEHM Cc1cccc(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)c1C ZINC000297821314 200287015 /nfs/dbraw/zinc/28/70/15/200287015.db2.gz UWTMBBBTXZOLOW-UHFFFAOYSA-N -1 3 299.334 1.566 10 0 CDAEHM Cc1cccc(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)c1C ZINC000297821314 200287017 /nfs/dbraw/zinc/28/70/17/200287017.db2.gz UWTMBBBTXZOLOW-UHFFFAOYSA-N -1 3 299.334 1.566 10 0 CDAEHM Cc1cccc(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)c1C ZINC000297821314 200287019 /nfs/dbraw/zinc/28/70/19/200287019.db2.gz UWTMBBBTXZOLOW-UHFFFAOYSA-N -1 3 299.334 1.566 10 0 CDAEHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1)c1cscn1 ZINC000335461552 360213262 /nfs/dbraw/zinc/21/32/62/360213262.db2.gz JNSNIYPRMJZMHV-MNOVXSKESA-N -1 3 280.374 1.978 10 0 CDAEHM Cn1ccc(S(=O)(=O)[N-]C2CCC(C(F)F)CC2)n1 ZINC000335409806 360231959 /nfs/dbraw/zinc/23/19/59/360231959.db2.gz WLYSSOJSARSCNX-UHFFFAOYSA-N -1 3 293.339 1.522 10 0 CDAEHM CC(C)C[C@@H](CNC(=O)N1CCN2CCC[C@@H]2C1)C(=O)[O-] ZINC000094706416 360312504 /nfs/dbraw/zinc/31/25/04/360312504.db2.gz ZRHLICPWORDMNK-QWHCGFSZSA-N -1 3 297.399 1.223 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)c1cn2c(n1)CCC2 ZINC000335564101 360465065 /nfs/dbraw/zinc/46/50/65/360465065.db2.gz BHFWLLNCTMAXRR-UHFFFAOYSA-N -1 3 275.283 1.604 10 0 CDAEHM Cc1ccc(CN2CCC(O)(C(=O)[O-])CC2)c(C)c1 ZINC000516076610 360560092 /nfs/dbraw/zinc/56/00/92/360560092.db2.gz UJMXVXNLSOKIMR-UHFFFAOYSA-N -1 3 263.337 1.715 10 0 CDAEHM COC(=O)c1ccc(C(=O)Nc2ccc(N(C)C)nc2)[n-]1 ZINC000431745008 361042487 /nfs/dbraw/zinc/04/24/87/361042487.db2.gz PJBVCHPVOJZXCW-UHFFFAOYSA-N -1 3 288.307 1.515 10 0 CDAEHM C[C@@H]1C[C@@H](CCN=c2[n-]c(C(N)=O)cs2)C[C@H](C)O1 ZINC000432160480 361116038 /nfs/dbraw/zinc/11/60/38/361116038.db2.gz DFMOALKCCKOFLP-ILWJIGKKSA-N -1 3 283.397 1.670 10 0 CDAEHM CO[C@H](CNC(=O)NCc1ncccc1[O-])C1CC1 ZINC000455055873 252380257 /nfs/dbraw/zinc/38/02/57/252380257.db2.gz AIXUIVCYVMUIFR-GFCCVEGCSA-N -1 3 265.313 1.011 10 0 CDAEHM C[C@H](F)CC[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000339032439 361226568 /nfs/dbraw/zinc/22/65/68/361226568.db2.gz BJHNLVJXSYDSQM-ZETCQYMHSA-N -1 3 266.725 1.761 10 0 CDAEHM COc1c(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c(C)nn1C ZINC000522000717 361287461 /nfs/dbraw/zinc/28/74/61/361287461.db2.gz UBAAELSBQTVQFZ-KOLCDFICSA-N -1 3 281.356 1.280 10 0 CDAEHM Cc1ccc([O-])c(CN(CC(N)=O)CC(C)C)n1 ZINC000132894748 361292498 /nfs/dbraw/zinc/29/24/98/361292498.db2.gz BHZYFNVWDNHQMY-UHFFFAOYSA-N -1 3 251.330 1.039 10 0 CDAEHM CN(C)C(=O)Cc1ccc(Br)cc1[O-] ZINC000336141840 361264227 /nfs/dbraw/zinc/26/42/27/361264227.db2.gz XVAPQYWRSFRTFH-UHFFFAOYSA-N -1 3 258.115 1.785 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1CCO[C@@H](CCF)C1 ZINC000629012183 361407157 /nfs/dbraw/zinc/40/71/57/361407157.db2.gz TWOKZKCNXANWIV-NSHDSACASA-N -1 3 267.300 1.901 10 0 CDAEHM CCN(Cc1cn(C)nn1)C(=O)c1cccc(OC)c1[O-] ZINC000436708151 361562734 /nfs/dbraw/zinc/56/27/34/361562734.db2.gz WMFHYLOTLNXYIA-UHFFFAOYSA-N -1 3 290.323 1.192 10 0 CDAEHM CCc1ccc(C(=O)N[C@@H](C)Cn2cncn2)c([O-])c1 ZINC000436819498 361582695 /nfs/dbraw/zinc/58/26/95/361582695.db2.gz OFTFOWIPRHYGMR-JTQLQIEISA-N -1 3 274.324 1.365 10 0 CDAEHM Cc1ccc(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)c([O-])c1 ZINC000629926943 364182757 /nfs/dbraw/zinc/18/27/57/364182757.db2.gz XXLRTROMVXLSQQ-CYBMUJFWSA-N -1 3 288.347 1.584 10 0 CDAEHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)C12CC(C1)C2 ZINC000629954957 364257651 /nfs/dbraw/zinc/25/76/51/364257651.db2.gz WISXNRKUHZDWIP-UHFFFAOYSA-N -1 3 254.293 1.632 10 0 CDAEHM CCC(F)(F)CNC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000630024195 364436850 /nfs/dbraw/zinc/43/68/50/364436850.db2.gz ZSLOJCRWGSOYNW-UHFFFAOYSA-N -1 3 287.310 1.893 10 0 CDAEHM CCCN(C)S(=O)(=O)[N-]c1cccc2c1oc(=O)n2C ZINC000270062094 364443417 /nfs/dbraw/zinc/44/34/17/364443417.db2.gz LGHDNBNKJVDNNV-UHFFFAOYSA-N -1 3 299.352 1.130 10 0 CDAEHM CC(=O)N[C@@H](C(=O)N=c1[nH][n-]c(C(C)C)c1C)C(C)C ZINC000630009022 364419675 /nfs/dbraw/zinc/41/96/75/364419675.db2.gz JIQBOHFTHPEWGJ-GFCCVEGCSA-N -1 3 280.372 1.363 10 0 CDAEHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2O)s1 ZINC000270183848 364488817 /nfs/dbraw/zinc/48/88/17/364488817.db2.gz JZMTVMQPGQDHIL-NXEZZACHSA-N -1 3 290.410 1.199 10 0 CDAEHM CCc1nc(CNc2nc3nncc-3c(O)[n-]2)cs1 ZINC000302641183 364531312 /nfs/dbraw/zinc/53/13/12/364531312.db2.gz IFTOLXUZJBRBQK-UHFFFAOYSA-N -1 3 276.325 1.690 10 0 CDAEHM CCCn1nccc1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104847447 364677279 /nfs/dbraw/zinc/67/72/79/364677279.db2.gz RJCWQGSUUUFCHS-UHFFFAOYSA-N -1 3 298.302 1.429 10 0 CDAEHM CCOC(=O)CC[C@@H](C)NC(=O)c1cc(OC)ccc1[O-] ZINC000270626410 364681272 /nfs/dbraw/zinc/68/12/72/364681272.db2.gz PPGOROIKVDTEQH-SNVBAGLBSA-N -1 3 295.335 1.862 10 0 CDAEHM CC[C@H](C)OCC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352994583 364700716 /nfs/dbraw/zinc/70/07/16/364700716.db2.gz YYIIZFBNNOCXFT-GXSJLCMTSA-N -1 3 267.329 1.437 10 0 CDAEHM COC[C@H](CCO)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000270828602 364778831 /nfs/dbraw/zinc/77/88/31/364778831.db2.gz GHAYHOHPQKHGHM-VIFPVBQESA-N -1 3 291.269 1.431 10 0 CDAEHM Cc1ccc([O-])c(CN2C[C@@H](C)[S@](=O)[C@@H](C)C2)n1 ZINC000361653524 364856731 /nfs/dbraw/zinc/85/67/31/364856731.db2.gz IWDCMEVEHRHGDM-IHGORAQCSA-N -1 3 268.382 1.437 10 0 CDAEHM C[C@@H](CO)[C@H](C)N=c1cc(-c2ccccc2)n2[n-]cnc2n1 ZINC000631127324 364842316 /nfs/dbraw/zinc/84/23/16/364842316.db2.gz SIROWGHZDMGCDT-RYUDHWBXSA-N -1 3 297.362 1.642 10 0 CDAEHM COc1nnc(NC(=O)c2cccc([C@@H]3CCOC3)c2)[n-]1 ZINC000272403747 365221920 /nfs/dbraw/zinc/22/19/20/365221920.db2.gz FBDIZCDKMAGTJL-LLVKDONJSA-N -1 3 288.307 1.570 10 0 CDAEHM COc1nc(NC(=O)c2cccc([C@@H]3CCOC3)c2)n[n-]1 ZINC000272403747 365221924 /nfs/dbraw/zinc/22/19/24/365221924.db2.gz FBDIZCDKMAGTJL-LLVKDONJSA-N -1 3 288.307 1.570 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cccc([C@@H]3CCOC3)c2)n1 ZINC000272403747 365221929 /nfs/dbraw/zinc/22/19/29/365221929.db2.gz FBDIZCDKMAGTJL-LLVKDONJSA-N -1 3 288.307 1.570 10 0 CDAEHM CCCNC(=O)C1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000272665780 365342037 /nfs/dbraw/zinc/34/20/37/365342037.db2.gz OAPMFSGTHYUJCA-UHFFFAOYSA-N -1 3 290.363 1.771 10 0 CDAEHM CC(C)C[C@@H](CO)N(C)C(=O)c1cccc2[n-]nnc21 ZINC000188867227 365452135 /nfs/dbraw/zinc/45/21/35/365452135.db2.gz JCXXNDXJZHAGQS-JTQLQIEISA-N -1 3 276.340 1.437 10 0 CDAEHM CC(C)C[C@@H](CO)N(C)C(=O)c1cccc2nn[n-]c21 ZINC000188867227 365452139 /nfs/dbraw/zinc/45/21/39/365452139.db2.gz JCXXNDXJZHAGQS-JTQLQIEISA-N -1 3 276.340 1.437 10 0 CDAEHM CC(C)C[C@@H](CO)N(C)C(=O)c1cccc2n[n-]nc21 ZINC000188867227 365452146 /nfs/dbraw/zinc/45/21/46/365452146.db2.gz JCXXNDXJZHAGQS-JTQLQIEISA-N -1 3 276.340 1.437 10 0 CDAEHM NC(=O)c1csc(=NCCc2ccc(F)cc2F)[n-]1 ZINC000566951758 370845456 /nfs/dbraw/zinc/84/54/56/370845456.db2.gz VMWVCHLAHGXMGD-UHFFFAOYSA-N -1 3 283.303 1.597 10 0 CDAEHM O=S(=O)(c1ccc([O-])cc1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000227166787 367389395 /nfs/dbraw/zinc/38/93/95/367389395.db2.gz JBSLDQPEBNWWLV-ZIAGYGMSSA-N -1 3 297.376 1.724 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2nnc(C3CC3)s2)o1 ZINC000416624541 242077412 /nfs/dbraw/zinc/07/74/12/242077412.db2.gz ANXIEAJZUKBDMC-UHFFFAOYSA-N -1 3 299.377 1.795 10 0 CDAEHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@@](C)(O)C2)c(F)c1 ZINC000416663008 242091348 /nfs/dbraw/zinc/09/13/48/242091348.db2.gz LHTIZWGAWMBCGH-LYWQIFSTSA-N -1 3 289.328 1.026 10 0 CDAEHM COC[C@H]1CCN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000293977740 370886425 /nfs/dbraw/zinc/88/64/25/370886425.db2.gz SOIGZWRDVPZBTD-LLVKDONJSA-N -1 3 278.308 1.212 10 0 CDAEHM C[C@@]1(C(=O)Nc2ccc(Cl)cc2[O-])CCC(=O)NC1 ZINC000282900050 368093690 /nfs/dbraw/zinc/09/36/90/368093690.db2.gz WSEIEQPOHIEIRK-CYBMUJFWSA-N -1 3 282.727 1.900 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCN2CC=CCC2)o1 ZINC000360057809 368095567 /nfs/dbraw/zinc/09/55/67/368095567.db2.gz VYDIPFQQXFTAHR-UHFFFAOYSA-N -1 3 270.354 1.128 10 0 CDAEHM COc1c(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(C)nn1C ZINC000522000722 260895905 /nfs/dbraw/zinc/89/59/05/260895905.db2.gz UBAAELSBQTVQFZ-ONGXEEELSA-N -1 3 281.356 1.280 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](C)C2)c1 ZINC000360353687 368247742 /nfs/dbraw/zinc/24/77/42/368247742.db2.gz RDXXISQELZMVCR-MNOVXSKESA-N -1 3 271.386 1.618 10 0 CDAEHM Cn1cnc2cc(C(=O)NCc3ncccc3[O-])ccc21 ZINC000360445155 368295156 /nfs/dbraw/zinc/29/51/56/368295156.db2.gz ILSBCZIAHYBQJY-UHFFFAOYSA-N -1 3 282.303 1.604 10 0 CDAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)CO1 ZINC000564208342 368334456 /nfs/dbraw/zinc/33/44/56/368334456.db2.gz SNJUFIMGQHTKQL-MXWKQRLJSA-N -1 3 299.396 1.236 10 0 CDAEHM O=C(Cc1ccccc1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000360850224 368517684 /nfs/dbraw/zinc/51/76/84/368517684.db2.gz BQNBFNPJQDVGKU-UHFFFAOYSA-N -1 3 284.241 1.682 10 0 CDAEHM O=C(Cc1ccccc1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000360850224 368517689 /nfs/dbraw/zinc/51/76/89/368517689.db2.gz BQNBFNPJQDVGKU-UHFFFAOYSA-N -1 3 284.241 1.682 10 0 CDAEHM O=C(Cc1ccccc1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000360850224 368517694 /nfs/dbraw/zinc/51/76/94/368517694.db2.gz BQNBFNPJQDVGKU-UHFFFAOYSA-N -1 3 284.241 1.682 10 0 CDAEHM CCOC(C)(C)C[N-]S(=O)(=O)Cc1cc(C)on1 ZINC000276005572 193186105 /nfs/dbraw/zinc/18/61/05/193186105.db2.gz SMJZARUYPGQHNO-UHFFFAOYSA-N -1 3 276.358 1.218 10 0 CDAEHM C[C@@H]1c2ccccc2CN1C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000543089117 368879143 /nfs/dbraw/zinc/87/91/43/368879143.db2.gz PNMHQHMGLYRHOQ-SECBINFHSA-N -1 3 285.303 1.203 10 0 CDAEHM CC(C)n1cc(C[N-]c2nc(-c3nccn3C)no2)nn1 ZINC000287096374 369086963 /nfs/dbraw/zinc/08/69/63/369086963.db2.gz YYOPLWBUEWUHNC-UHFFFAOYSA-N -1 3 288.315 1.255 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H](C)[S@](C)=O)o1 ZINC000330639235 203067964 /nfs/dbraw/zinc/06/79/64/203067964.db2.gz BPGRQVLMCQUNLB-ABKXIKBNSA-N -1 3 279.383 1.023 10 0 CDAEHM COc1cc(C(=O)N2CC[C@H](C)[C@@H](OC)C2)ccc1[O-] ZINC000276054131 193199582 /nfs/dbraw/zinc/19/95/82/193199582.db2.gz YMZMXPGHTLSDCI-HZMBPMFUSA-N -1 3 279.336 1.898 10 0 CDAEHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@]2(C1)CCCOC2 ZINC000367497105 369164453 /nfs/dbraw/zinc/16/44/53/369164453.db2.gz KCBFMTZPLYAGBD-HNNXBMFYSA-N -1 3 286.335 1.601 10 0 CDAEHM O=C(c1csc(=O)[n-]1)N1CCN(c2ccccc2)CC1 ZINC000546723041 369439652 /nfs/dbraw/zinc/43/96/52/369439652.db2.gz OSQLJOLMESLYSP-UHFFFAOYSA-N -1 3 289.360 1.811 10 0 CDAEHM CC[C@H]1CCN1C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000294156399 370967846 /nfs/dbraw/zinc/96/78/46/370967846.db2.gz VKXQQIPZALKWHX-LBPRGKRZSA-N -1 3 290.363 1.831 10 0 CDAEHM CC[C@H]1CN(Cc2nc(C)ccc2[O-])C[C@@H](C)S1(=O)=O ZINC000289780071 369660273 /nfs/dbraw/zinc/66/02/73/369660273.db2.gz LEIJVLYOWOEHET-NEPJUHHUSA-N -1 3 298.408 1.493 10 0 CDAEHM COc1cc(=NC(=O)N(C)[C@H]2CCCC[C@@H]2C)[n-]n1C ZINC000548166955 369775431 /nfs/dbraw/zinc/77/54/31/369775431.db2.gz SDWQGNPXBCLAEX-QWRGUYRKSA-N -1 3 280.372 1.893 10 0 CDAEHM CCOCc1nc([C@H](C)NCc2nc(C)ccc2[O-])no1 ZINC000290386896 369891033 /nfs/dbraw/zinc/89/10/33/369891033.db2.gz BJRVWKBZHAMTBL-JTQLQIEISA-N -1 3 292.339 1.866 10 0 CDAEHM O=C(CC1CSC1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000630805332 370028793 /nfs/dbraw/zinc/02/87/93/370028793.db2.gz RVMUDGKEOFBMGG-UHFFFAOYSA-N -1 3 275.337 1.558 10 0 CDAEHM O=C(CC1CSC1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000630805332 370028795 /nfs/dbraw/zinc/02/87/95/370028795.db2.gz RVMUDGKEOFBMGG-UHFFFAOYSA-N -1 3 275.337 1.558 10 0 CDAEHM O=C(CC1CSC1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000630805332 370028796 /nfs/dbraw/zinc/02/87/96/370028796.db2.gz RVMUDGKEOFBMGG-UHFFFAOYSA-N -1 3 275.337 1.558 10 0 CDAEHM CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000119563775 370152176 /nfs/dbraw/zinc/15/21/76/370152176.db2.gz LXBSJELCCGWLPK-NSHDSACASA-N -1 3 262.309 1.133 10 0 CDAEHM COc1cc(C)nc(CN2C[C@H](OC)C[C@@H]2CC(=O)[O-])c1 ZINC000565111905 370356032 /nfs/dbraw/zinc/35/60/32/370356032.db2.gz NCVGHHFNOSORNP-TZMCWYRMSA-N -1 3 294.351 1.463 10 0 CDAEHM CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1cscn1 ZINC000660096804 412783946 /nfs/dbraw/zinc/78/39/46/412783946.db2.gz CSLLPGPKBZFSDC-MRVPVSSYSA-N -1 3 276.383 1.237 10 0 CDAEHM CC(C)(C)[C@@H](O)C[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000269721387 371021513 /nfs/dbraw/zinc/02/15/13/371021513.db2.gz BECOKWDCGSKPSH-VIFPVBQESA-N -1 3 292.788 1.420 10 0 CDAEHM C[C@@H]1CCN(C(=O)[C@]2(C)CCCCN2)C[C@H]1C(=O)[O-] ZINC000567627168 371072397 /nfs/dbraw/zinc/07/23/97/371072397.db2.gz GIWWJLYDEAUYHD-GYSYKLTISA-N -1 3 268.357 1.088 10 0 CDAEHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000295213298 371151136 /nfs/dbraw/zinc/15/11/36/371151136.db2.gz 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/nfs/dbraw/zinc/34/42/69/371344269.db2.gz YPASQKIFVOBQLD-QMMMGPOBSA-N -1 3 258.281 1.009 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)OC ZINC000296095625 371602730 /nfs/dbraw/zinc/60/27/30/371602730.db2.gz HRLJBBNCUALCHI-VHSXEESVSA-N -1 3 288.369 1.182 10 0 CDAEHM COc1cccc(C(=O)N[C@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000378119586 371832766 /nfs/dbraw/zinc/83/27/66/371832766.db2.gz VMHUZJUYWNVWFR-JTQLQIEISA-N -1 3 287.319 1.411 10 0 CDAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CC[C@H]1C1CC1 ZINC000577818875 372127678 /nfs/dbraw/zinc/12/76/78/372127678.db2.gz HALNGVNXDXNKTJ-NSHDSACASA-N -1 3 260.272 1.722 10 0 CDAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CC[C@H]1C1CC1 ZINC000577818875 372127681 /nfs/dbraw/zinc/12/76/81/372127681.db2.gz HALNGVNXDXNKTJ-NSHDSACASA-N -1 3 260.272 1.722 10 0 CDAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CC[C@H]1C1CC1 ZINC000577818875 372127685 /nfs/dbraw/zinc/12/76/85/372127685.db2.gz HALNGVNXDXNKTJ-NSHDSACASA-N -1 3 260.272 1.722 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CC2(C)CCCC2)nc1=N 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1.594 10 0 CDAEHM CO[C@H](C)[C@H](C)NC(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000342899078 374710716 /nfs/dbraw/zinc/71/07/16/374710716.db2.gz CWXPFUZZOPJKLZ-WDEREUQCSA-N -1 3 288.347 1.990 10 0 CDAEHM CN(CCCC(=O)[O-])CC(=O)N(C)Cc1cccs1 ZINC000042716975 374859684 /nfs/dbraw/zinc/85/96/84/374859684.db2.gz UDFXCKKVVRILIR-UHFFFAOYSA-N -1 3 284.381 1.503 10 0 CDAEHM CCCC(=O)NCC(=O)Nc1ccc(C)cc1[O-] ZINC000048608913 375332485 /nfs/dbraw/zinc/33/24/85/375332485.db2.gz WYJVZWBPERJAAC-UHFFFAOYSA-N -1 3 250.298 1.555 10 0 CDAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1C[C@@H]1C ZINC000226473780 375347543 /nfs/dbraw/zinc/34/75/43/375347543.db2.gz WSEVGQWLCPESLG-POYBYMJQSA-N -1 3 289.378 1.530 10 0 CDAEHM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C2CC2)C1 ZINC000427005452 247084349 /nfs/dbraw/zinc/08/43/49/247084349.db2.gz SKJFMYZMAKVMTN-NSHDSACASA-N -1 3 261.325 1.096 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CCCN(C3CC3)CC2)c1 ZINC000194534606 375953944 /nfs/dbraw/zinc/95/39/44/375953944.db2.gz FSZBNZJCGPQFIN-UHFFFAOYSA-N -1 3 290.363 1.711 10 0 CDAEHM C[C@@H](C(=O)NCc1ccc(F)cc1)N(C)CCCC(=O)[O-] ZINC000430669707 247685026 /nfs/dbraw/zinc/68/50/26/247685026.db2.gz RVQGGXVMKGPXFD-NSHDSACASA-N -1 3 296.342 1.627 10 0 CDAEHM O=S(=O)(NCCNC1CC1)c1cccc(Cl)c1[O-] ZINC000631903582 376797398 /nfs/dbraw/zinc/79/73/98/376797398.db2.gz MWFGCRWKRNOPPB-UHFFFAOYSA-N -1 3 290.772 1.076 10 0 CDAEHM Cc1nocc1S(=O)(=O)[N-][C@@H]1CNc2ccccc2C1 ZINC000631949000 376838548 /nfs/dbraw/zinc/83/85/48/376838548.db2.gz WAARIDBPYIIIHX-NSHDSACASA-N -1 3 293.348 1.298 10 0 CDAEHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632016860 376912555 /nfs/dbraw/zinc/91/25/55/376912555.db2.gz GGEOOSFCQKCOQO-ZETCQYMHSA-N -1 3 264.372 1.419 10 0 CDAEHM O=C(CC1CS(=O)(=O)C1)Nc1ccc(Cl)cc1[O-] ZINC000632138730 377049542 /nfs/dbraw/zinc/04/95/42/377049542.db2.gz GCZLBQNUFCSLIP-UHFFFAOYSA-N -1 3 289.740 1.419 10 0 CDAEHM Cc1ccc(CC[N-]S(=O)(=O)c2c[nH]c(=O)s2)nc1 ZINC000632431457 377445251 /nfs/dbraw/zinc/44/52/51/377445251.db2.gz 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/nfs/dbraw/zinc/75/68/77/377756877.db2.gz YMFBXDMFPOHWPL-UHFFFAOYSA-N -1 3 292.335 1.204 10 0 CDAEHM Cc1cc(S(=O)(=O)[N-]CC(F)(F)CN)c(C)s1 ZINC000162648798 377903149 /nfs/dbraw/zinc/90/31/49/377903149.db2.gz YEZFTTFQEIVXAC-UHFFFAOYSA-N -1 3 284.353 1.237 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2CC[C@@H]2C(F)F)cs1 ZINC000633239085 378240141 /nfs/dbraw/zinc/24/01/41/378240141.db2.gz MTWNRPACMLVRGJ-SSDOTTSWSA-N -1 3 261.297 1.476 10 0 CDAEHM COc1ccc(C(=O)NC[C@@H]2CCCC2=O)c([O-])c1 ZINC000194151451 378319231 /nfs/dbraw/zinc/31/92/31/378319231.db2.gz VTDHROPPMPEBQS-VIFPVBQESA-N -1 3 263.293 1.500 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(=O)[nH]1)C1CCC(F)(F)CC1 ZINC000633520267 378509121 /nfs/dbraw/zinc/50/91/21/378509121.db2.gz CSBNAKOIFCCRFI-UHFFFAOYSA-N -1 3 287.266 1.330 10 0 CDAEHM C[C@@H]1CCC[C@H](C(=O)NCc2cc(=O)[n-]c(=O)[nH]2)C1 ZINC000633520605 378510254 /nfs/dbraw/zinc/51/02/54/378510254.db2.gz IPIUAMSJMPBICD-BDAKNGLRSA-N -1 3 265.313 1.330 10 0 CDAEHM C[C@H]1CCC[C@H]1CC(=O)NCc1cc(=O)[n-]c(=O)[nH]1 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CN=C([S-])NN=Cc1ccc(Br)o1 ZINC000041223701 379350479 /nfs/dbraw/zinc/35/04/79/379350479.db2.gz CXORVYUSWRYQMO-ONNFQVAWSA-N -1 3 262.132 1.881 10 0 CDAEHM C[C@@](NCCO)(C(=O)[O-])c1ccc(Br)cc1 ZINC000041801918 379467302 /nfs/dbraw/zinc/46/73/02/379467302.db2.gz AJDPOKOXOBFFRU-NSHDSACASA-N -1 3 288.141 1.331 10 0 CDAEHM CCOC(=O)c1ccc(NC(=O)C[C@H](O)CC)c([O-])c1 ZINC000450407499 251268365 /nfs/dbraw/zinc/26/83/65/251268365.db2.gz IJNRWSGBOKQQGD-SNVBAGLBSA-N -1 3 281.308 1.668 10 0 CDAEHM Cc1nn(C)cc1CC(=O)Nc1nc(C)ccc1[O-] ZINC000450530973 251326420 /nfs/dbraw/zinc/32/64/20/251326420.db2.gz GKOSDZSYOHHHLL-UHFFFAOYSA-N -1 3 260.297 1.319 10 0 CDAEHM CCC[C@@H](C[N-]S(=O)(=O)c1ccc(C)o1)OC ZINC000451642973 251788353 /nfs/dbraw/zinc/78/83/53/251788353.db2.gz ZPAKOPNJESTMLO-JTQLQIEISA-N -1 3 261.343 1.681 10 0 CDAEHM O=C(NCc1ncccc1[O-])NC[C@@H]1CCCCO1 ZINC000471726198 252824518 /nfs/dbraw/zinc/82/45/18/252824518.db2.gz LUMHHNGFHRGBMC-JTQLQIEISA-N -1 3 265.313 1.156 10 0 CDAEHM COc1nnc(NC(=O)C[C@@H]2CCC[C@H](OC)C2)[n-]1 ZINC000281112407 195109122 /nfs/dbraw/zinc/10/91/22/195109122.db2.gz HOUXRBCEYSEBMS-BDAKNGLRSA-N -1 3 268.317 1.347 10 0 CDAEHM COc1nc(NC(=O)C[C@@H]2CCC[C@H](OC)C2)n[n-]1 ZINC000281112407 195109123 /nfs/dbraw/zinc/10/91/23/195109123.db2.gz HOUXRBCEYSEBMS-BDAKNGLRSA-N -1 3 268.317 1.347 10 0 CDAEHM COc1n[n-]c(NC(=O)C[C@@H]2CCC[C@H](OC)C2)n1 ZINC000281112407 195109126 /nfs/dbraw/zinc/10/91/26/195109126.db2.gz HOUXRBCEYSEBMS-BDAKNGLRSA-N -1 3 268.317 1.347 10 0 CDAEHM CCc1nc([C@@H](C)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)n[nH]1 ZINC000660463345 413010713 /nfs/dbraw/zinc/01/07/13/413010713.db2.gz BCDJNFRPCWIGCT-RKDXNWHRSA-N -1 3 292.343 1.396 10 0 CDAEHM CCOC(=O)[C@H](CCOC)NC(=O)c1cccc([O-])c1 ZINC000281546206 195284277 /nfs/dbraw/zinc/28/42/77/195284277.db2.gz KCTMXWGCHSXEAL-LBPRGKRZSA-N -1 3 281.308 1.090 10 0 CDAEHM CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc([O-])c(F)c2)C1 ZINC000646915288 390299625 /nfs/dbraw/zinc/29/96/25/390299625.db2.gz 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FLJDTSGRXNKGNU-UHFFFAOYSA-N -1 3 282.300 1.927 10 0 CDAEHM COc1nc(NC(=O)c2c(F)cccc2SC)n[n-]1 ZINC000343625293 152248649 /nfs/dbraw/zinc/24/86/49/152248649.db2.gz FLJDTSGRXNKGNU-UHFFFAOYSA-N -1 3 282.300 1.927 10 0 CDAEHM COc1n[n-]c(NC(=O)c2c(F)cccc2SC)n1 ZINC000343625293 152248652 /nfs/dbraw/zinc/24/86/52/152248652.db2.gz FLJDTSGRXNKGNU-UHFFFAOYSA-N -1 3 282.300 1.927 10 0 CDAEHM COc1cc(C(=O)N(C)[C@H]2CCOC2)cc(OC)c1[O-] ZINC000343883403 152339331 /nfs/dbraw/zinc/33/93/31/152339331.db2.gz VDUQKQWQPMRHAE-JTQLQIEISA-N -1 3 281.308 1.270 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)c2cccn(C)c2=O)n1 ZINC000345949469 153006485 /nfs/dbraw/zinc/00/64/85/153006485.db2.gz XIZBWAMRYXDLQM-UHFFFAOYSA-N -1 3 259.265 1.047 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)C1CN(CC(F)F)C1 ZINC000346817727 153310881 /nfs/dbraw/zinc/31/08/81/153310881.db2.gz FRWKEMWNCHMEEJ-UHFFFAOYSA-N -1 3 288.269 1.344 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2cncc(F)c2)c[n-]1 ZINC000352757943 155413136 /nfs/dbraw/zinc/41/31/36/155413136.db2.gz 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Cc1cc2n[n-]c(NC(=O)C=Cc3ccco3)c2c(=O)n1C ZINC001299777047 918055679 /nfs/dbraw/zinc/05/56/79/918055679.db2.gz PGDGMMNKLLZKPN-AATRIKPKSA-N -1 3 298.302 1.815 10 0 CDAEHM COC(=O)c1ccc(/C=C/C(=O)Nc2ncccc2[O-])o1 ZINC001138165466 936484839 /nfs/dbraw/zinc/48/48/39/936484839.db2.gz QDTJNZNLGZCWKM-FNORWQNLSA-N -1 3 288.259 1.819 10 0 CDAEHM C[C@@H]1C[C@@H](NCc2cccc(C(=O)[O-])n2)[C@H](C)O1 ZINC000384706722 936621794 /nfs/dbraw/zinc/62/17/94/936621794.db2.gz FSEHAQBOPZBTAF-VDDIYKPWSA-N -1 3 250.298 1.435 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N[C@@H](CO)C(F)(F)F)c1 ZINC001413746952 936723224 /nfs/dbraw/zinc/72/32/24/936723224.db2.gz GOAKSFPBQGKZDB-JTQLQIEISA-N -1 3 277.242 1.608 10 0 CDAEHM Cn1nccc1CC(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837674237 936852611 /nfs/dbraw/zinc/85/26/11/936852611.db2.gz QHLROPOCLLJAHN-UHFFFAOYSA-N -1 3 288.307 1.079 10 0 CDAEHM C[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cccnc1F ZINC000401787133 936913545 /nfs/dbraw/zinc/91/35/45/936913545.db2.gz LLAJKCQCTQBSHB-VIFPVBQESA-N -1 3 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Cc1ccc([O-])c(C(=O)Nc2cnc3c(c2)CNC3=O)c1 ZINC001363896885 953991004 /nfs/dbraw/zinc/99/10/04/953991004.db2.gz NJOSHENBNMUUOT-UHFFFAOYSA-N -1 3 283.287 1.591 10 0 CDAEHM C[C@H](CNC(=O)c1ccccc1[O-])NC(=O)C1CC=CC1 ZINC001295425659 954662379 /nfs/dbraw/zinc/66/23/79/954662379.db2.gz SDBAYLPTKPGHDM-LLVKDONJSA-N -1 3 288.347 1.593 10 0 CDAEHM O=C(OCCO[C@H]1CC1(F)F)c1cncc([O-])c1 ZINC001327116128 954714917 /nfs/dbraw/zinc/71/49/17/954714917.db2.gz QBQXYYBGURXNRK-VIFPVBQESA-N -1 3 259.208 1.368 10 0 CDAEHM CN1C(=O)C[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1=O ZINC001296988235 954925310 /nfs/dbraw/zinc/92/53/10/954925310.db2.gz PQVCMVHFUSDZID-GFCCVEGCSA-N -1 3 298.298 1.033 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)c1cc(Cl)c[nH]1 ZINC001363359677 972111819 /nfs/dbraw/zinc/11/18/19/972111819.db2.gz STHFLUYJFUJAJH-UHFFFAOYSA-N -1 3 292.726 1.971 10 0 CDAEHM O=C([O-])CSCCNCc1cnc(Cl)c(F)c1 ZINC001329309919 955817524 /nfs/dbraw/zinc/81/75/24/955817524.db2.gz GRDGFRFSVXKRFR-UHFFFAOYSA-N -1 3 278.736 1.782 10 0 CDAEHM N[C@H](C(=O)NCc1ccccc1C(=O)[O-])C1CCC1 ZINC001329316357 955821428 /nfs/dbraw/zinc/82/14/28/955821428.db2.gz RXUAAWSWTJZSOB-LBPRGKRZSA-N -1 3 262.309 1.128 10 0 CDAEHM C[C@@H]1CO[C@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)C1 ZINC001331564844 957140025 /nfs/dbraw/zinc/14/00/25/957140025.db2.gz DYBXJZJIJHWCNS-WHFBIAKZSA-N -1 3 264.207 1.187 10 0 CDAEHM C[C@@H]1CO[C@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)C1 ZINC001331564844 957140030 /nfs/dbraw/zinc/14/00/30/957140030.db2.gz DYBXJZJIJHWCNS-WHFBIAKZSA-N -1 3 264.207 1.187 10 0 CDAEHM C[C@H](CN(C)C(=O)C(F)F)NC(=O)c1ccccc1[O-] ZINC001424970052 957427995 /nfs/dbraw/zinc/42/79/95/957427995.db2.gz WFULFMRLDVOAMD-MRVPVSSYSA-N -1 3 286.278 1.234 10 0 CDAEHM O=C(N[C@@H](CNC(=O)C(F)F)C1CC1)c1ccccc1[O-] ZINC001429915827 959115855 /nfs/dbraw/zinc/11/58/55/959115855.db2.gz WXRRNCDTBPNUAH-JTQLQIEISA-N -1 3 298.289 1.282 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCC[C@H](F)C2)n1 ZINC001334650309 959263082 /nfs/dbraw/zinc/26/30/82/959263082.db2.gz 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346510989 /nfs/dbraw/zinc/51/09/89/346510989.db2.gz PZSCZAYZEPISKY-UHFFFAOYSA-N -1 3 261.281 1.203 10 0 CDAEHM COC(=O)c1cncc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000274856846 365829857 /nfs/dbraw/zinc/82/98/57/365829857.db2.gz SIFUUDRAAXFHJH-LLVKDONJSA-N -1 3 295.295 1.448 10 0 CDAEHM COC(=O)c1cncc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000274856846 365829865 /nfs/dbraw/zinc/82/98/65/365829865.db2.gz SIFUUDRAAXFHJH-LLVKDONJSA-N -1 3 295.295 1.448 10 0 CDAEHM Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(C)C2)ccc1[O-] ZINC000618714092 346616261 /nfs/dbraw/zinc/61/62/61/346616261.db2.gz SJGSVOOKLSZVPY-DOMZBBRYSA-N -1 3 261.321 1.809 10 0 CDAEHM CCN=c1[n-]c(C(=O)N[C@@H]2CC[C@@H](OC)C2)cs1 ZINC000352019211 362776314 /nfs/dbraw/zinc/77/63/14/362776314.db2.gz DQWVBZDBEHKKEL-RKDXNWHRSA-N -1 3 269.370 1.294 10 0 CDAEHM CSc1cccc(NC(=O)[C@@H](N)CC(=O)[O-])c1 ZINC000085810804 179177480 /nfs/dbraw/zinc/17/74/80/179177480.db2.gz RYVMKBBVYYAVNB-VIFPVBQESA-N -1 3 254.311 1.149 10 0 CDAEHM C[C@H](Cc1cccc(Cl)c1)NC(=O)[C@H](N)CC(=O)[O-] ZINC000085813574 179178077 /nfs/dbraw/zinc/17/80/77/179178077.db2.gz FAEGRLQUOIXIKA-LDYMZIIASA-N -1 3 284.743 1.189 10 0 CDAEHM CC[C@H](NC(=O)[C@@H](N)CC(=O)[O-])c1ccccc1OC ZINC000085813516 179178241 /nfs/dbraw/zinc/17/82/41/179178241.db2.gz WNOFPDOKZYHSTK-QWRGUYRKSA-N -1 3 280.324 1.065 10 0 CDAEHM CCCCc1ccc(NC(=O)[C@H](N)CC(=O)[O-])cc1 ZINC000085811680 179178542 /nfs/dbraw/zinc/17/85/42/179178542.db2.gz AJQBNGZTYYOTHY-GFCCVEGCSA-N -1 3 264.325 1.770 10 0 CDAEHM C[C@H](NC(=O)[C@@H](N)CCC(=O)[O-])c1ccc(F)c(F)c1 ZINC000085819281 179181833 /nfs/dbraw/zinc/18/18/33/179181833.db2.gz OPLYRUVLAOXIMM-CPCISQLKSA-N -1 3 286.278 1.334 10 0 CDAEHM C[C@H](Cc1cccc(Cl)c1)NC(=O)[C@@H](N)CCC(=O)[O-] ZINC000085819472 179182493 /nfs/dbraw/zinc/18/24/93/179182493.db2.gz SBUKWZYSQWKNSJ-SKDRFNHKSA-N -1 3 298.770 1.579 10 0 CDAEHM C[C@H](NC(=O)[C@@H](N)CCC(=O)[O-])c1ccccc1F ZINC000085820051 179183126 /nfs/dbraw/zinc/18/31/26/179183126.db2.gz CIUDBJXFHWTSHB-KWQFWETISA-N -1 3 268.288 1.195 10 0 CDAEHM CCN(Cc1cccc(Cl)c1)C(=O)[C@H](N)CCC(=O)[O-] ZINC000085839067 179184922 /nfs/dbraw/zinc/18/49/22/179184922.db2.gz LTKKDSXVPSKTQA-GFCCVEGCSA-N -1 3 298.770 1.881 10 0 CDAEHM CC[C@H](NC(=O)[C@@H](N)CCC(=O)[O-])c1cccs1 ZINC000085843064 179185804 /nfs/dbraw/zinc/18/58/04/179185804.db2.gz LCIKOFHMGMRUJJ-IUCAKERBSA-N -1 3 270.354 1.508 10 0 CDAEHM CCN(C(=O)[C@H](N)CCC(=O)[O-])c1cccc(F)c1 ZINC000085843541 179186044 /nfs/dbraw/zinc/18/60/44/179186044.db2.gz DBSPFAIGFLNIJA-LLVKDONJSA-N -1 3 268.288 1.371 10 0 CDAEHM CCCCCN(CCCCC)C(=O)[C@H](N)CC(=O)[O-] ZINC000085816191 179180040 /nfs/dbraw/zinc/18/00/40/179180040.db2.gz JLBMYMNEHJIZRL-GFCCVEGCSA-N -1 3 272.389 1.997 10 0 CDAEHM Cc1ccc(CN(C)C(=O)[C@@H](N)CC(=O)[O-])c(C)c1 ZINC000085815810 179180223 /nfs/dbraw/zinc/18/02/23/179180223.db2.gz HHTQCIQNUXSYPM-LBPRGKRZSA-N -1 3 264.325 1.064 10 0 CDAEHM C[C@@H](O)CC[N-]S(=O)(=O)c1cc(N)c(F)cc1Cl ZINC000085964014 179205603 /nfs/dbraw/zinc/20/56/03/179205603.db2.gz QAOFUFUVQVHLAJ-ZCFIWIBFSA-N -1 3 296.751 1.111 10 0 CDAEHM COC(=O)[C@@H](CC1CC1)NC(=O)c1cccc([O-])c1 ZINC000059663944 347414100 /nfs/dbraw/zinc/41/41/00/347414100.db2.gz BUNPSGGVLGVDEO-GFCCVEGCSA-N -1 3 263.293 1.464 10 0 CDAEHM COc1nc(NC(=O)C(C)(C)CC(F)(F)F)n[n-]1 ZINC000613195537 347462141 /nfs/dbraw/zinc/46/21/41/347462141.db2.gz INELZKLKALLDHO-UHFFFAOYSA-N -1 3 266.223 1.730 10 0 CDAEHM COc1nnc(NC(=O)C(C)(C)CC(F)(F)F)[n-]1 ZINC000613195537 347462144 /nfs/dbraw/zinc/46/21/44/347462144.db2.gz INELZKLKALLDHO-UHFFFAOYSA-N -1 3 266.223 1.730 10 0 CDAEHM COc1n[n-]c(NC(=O)C(C)(C)CC(F)(F)F)n1 ZINC000613195537 347462145 /nfs/dbraw/zinc/46/21/45/347462145.db2.gz INELZKLKALLDHO-UHFFFAOYSA-N -1 3 266.223 1.730 10 0 CDAEHM COc1nc(NC(=O)Cc2cccc(OC)c2Cl)n[n-]1 ZINC000613196680 347462985 /nfs/dbraw/zinc/46/29/85/347462985.db2.gz UQTRPAOARKMPPD-UHFFFAOYSA-N -1 3 296.714 1.657 10 0 CDAEHM COc1nnc(NC(=O)Cc2cccc(OC)c2Cl)[n-]1 ZINC000613196680 347462988 /nfs/dbraw/zinc/46/29/88/347462988.db2.gz UQTRPAOARKMPPD-UHFFFAOYSA-N -1 3 296.714 1.657 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2cccc(OC)c2Cl)n1 ZINC000613196680 347462992 /nfs/dbraw/zinc/46/29/92/347462992.db2.gz UQTRPAOARKMPPD-UHFFFAOYSA-N -1 3 296.714 1.657 10 0 CDAEHM O=C([O-])c1cncnc1N1CCN(C2CCCC2)CC1 ZINC000312162964 347676634 /nfs/dbraw/zinc/67/66/34/347676634.db2.gz UFJVYJHRGJLZCW-UHFFFAOYSA-N -1 3 276.340 1.239 10 0 CDAEHM O=C(c1c([O-])cccc1F)N1CC[C@@H](N2CCC2)[C@H](F)C1 ZINC000614095793 347998523 /nfs/dbraw/zinc/99/85/23/347998523.db2.gz ZQYTZKLZPJJUFS-VXGBXAGGSA-N -1 3 296.317 1.790 10 0 CDAEHM O=C(NCCCc1cc(=O)[nH][n-]1)c1cnc2cnccc2c1 ZINC000614914697 348270390 /nfs/dbraw/zinc/27/03/90/348270390.db2.gz NRIMLCSJOVMUCI-UHFFFAOYSA-N -1 3 297.318 1.016 10 0 CDAEHM O=C([N-]c1nnc2[nH]cnn12)[C@@H]1C[C@@H]1C1CCCC1 ZINC000614997115 348298959 /nfs/dbraw/zinc/29/89/59/348298959.db2.gz SBROFGAVVPQAHT-RKDXNWHRSA-N -1 3 260.301 1.217 10 0 CDAEHM O=C1CN(Cc2cc(Br)cs2)C(=O)[N-]1 ZINC000070064688 362920687 /nfs/dbraw/zinc/92/06/87/362920687.db2.gz KLSVGUFKEYPVDY-UHFFFAOYSA-N -1 3 275.127 1.562 10 0 CDAEHM O=C1CN(Cc2sccc2Br)C(=O)[N-]1 ZINC000070064700 362922357 /nfs/dbraw/zinc/92/23/57/362922357.db2.gz LTTCQEDKWRXBIM-UHFFFAOYSA-N -1 3 275.127 1.562 10 0 CDAEHM C[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)C(=O)N(C)C ZINC000068541745 349070936 /nfs/dbraw/zinc/07/09/36/349070936.db2.gz IWUCGDIHVNCCIT-JTQLQIEISA-N -1 3 290.363 1.478 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)NC[C@H]1CCC[C@@H]1O ZINC000074374653 349214995 /nfs/dbraw/zinc/21/49/95/349214995.db2.gz AJGPDVVXHGQYTQ-PWSUYJOCSA-N -1 3 282.315 1.492 10 0 CDAEHM COCCCSC[C@@](N)(C(=O)[O-])c1ccccc1 ZINC000104446905 186005349 /nfs/dbraw/zinc/00/53/49/186005349.db2.gz QHAUATOBORIKLC-ZDUSSCGKSA-N -1 3 269.366 1.695 10 0 CDAEHM C[C@@H](CNC(=O)CC[C@H]1NC(=O)[N-]C1=O)C1CCCCC1 ZINC000620371857 350154052 /nfs/dbraw/zinc/15/40/52/350154052.db2.gz MSWYIYYJHNJZFA-CMPLNLGQSA-N -1 3 295.383 1.307 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CCOCC3(CC3)C2)n1 ZINC000556093378 290253505 /nfs/dbraw/zinc/25/35/05/290253505.db2.gz DUKMKBAILIKYES-LLVKDONJSA-N -1 3 263.341 1.664 10 0 CDAEHM O=C(NCCCC1CC1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000076777208 350595600 /nfs/dbraw/zinc/59/56/00/350595600.db2.gz AAPKHUDQSGMWTF-UHFFFAOYSA-N -1 3 287.319 1.882 10 0 CDAEHM CCC(=O)N1CSC[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000174872929 365979566 /nfs/dbraw/zinc/97/95/66/365979566.db2.gz QVYVBKJZUZUIML-JTQLQIEISA-N -1 3 298.339 1.781 10 0 CDAEHM CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cncc([O-])c1 ZINC000109955235 186280493 /nfs/dbraw/zinc/28/04/93/186280493.db2.gz ROZGTUKZCXBZIX-HNNXBMFYSA-N -1 3 299.374 1.690 10 0 CDAEHM N[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000312312750 350765834 /nfs/dbraw/zinc/76/58/34/350765834.db2.gz XWUNHKUNSYFFBY-CHWSQXEVSA-N -1 3 282.384 1.607 10 0 CDAEHM C[C@H]1COCC[C@@H]1NC(=O)c1cc(F)c[n-]c1=O ZINC000621974140 350904599 /nfs/dbraw/zinc/90/45/99/350904599.db2.gz LVIGGKIAEWVCDE-XVKPBYJWSA-N -1 3 254.261 1.081 10 0 CDAEHM C[C@@H]1CCN(C(=O)c2cc(F)c[n-]c2=O)C[C@H](C)O1 ZINC000622175059 351053999 /nfs/dbraw/zinc/05/39/99/351053999.db2.gz XYPCVBDRGYWFIH-BDAKNGLRSA-N -1 3 268.288 1.566 10 0 CDAEHM C[C@H]1C[C@@H](N(C)C(=O)c2cncc([O-])c2)CCN1C ZINC000175103520 366027376 /nfs/dbraw/zinc/02/73/76/366027376.db2.gz JZENFHIJHKXCLB-JQWIXIFHSA-N -1 3 263.341 1.342 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)CCC(F)(F)F)[C@@H](O)C(F)F ZINC000451705601 363079438 /nfs/dbraw/zinc/07/94/38/363079438.db2.gz FOVOORFURVAKQV-PHDIDXHHSA-N -1 3 299.261 1.263 10 0 CDAEHM [O-]c1cccnc1CNCc1cnc2cnccn12 ZINC000355286090 366046157 /nfs/dbraw/zinc/04/61/57/366046157.db2.gz UOAKNYIECOOMSP-UHFFFAOYSA-N -1 3 255.281 1.120 10 0 CDAEHM CN(C)C[C@@H](NC(=O)c1ncccc1[O-])c1ccccc1 ZINC000122597796 187040028 /nfs/dbraw/zinc/04/00/28/187040028.db2.gz RAHBSEFENPXKMF-CYBMUJFWSA-N -1 3 285.347 1.820 10 0 CDAEHM Cn1ccc(S(=O)(=O)[N-][C@H](C2CCC2)[C@@H]2CCCO2)n1 ZINC000632706183 363098631 /nfs/dbraw/zinc/09/86/31/363098631.db2.gz YFLIYXUHBXZQRX-WCQYABFASA-N -1 3 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ZINC000272890708 365435032 /nfs/dbraw/zinc/43/50/32/365435032.db2.gz ATOFJVVBPGSKSP-CYBMUJFWSA-N -1 3 281.333 1.171 10 0 CDAEHM C[C@@H]1C[C@H](CNC(=O)NCc2ncccc2[O-])[C@H](C)O1 ZINC000413736320 240871257 /nfs/dbraw/zinc/87/12/57/240871257.db2.gz FYYOZRRNZBFEKX-OUAUKWLOSA-N -1 3 279.340 1.400 10 0 CDAEHM COC1(CS(=O)(=O)[N-]Cc2cocn2)CCCC1 ZINC000631923392 366941597 /nfs/dbraw/zinc/94/15/97/366941597.db2.gz AEIFMFIGSDVGKC-UHFFFAOYSA-N -1 3 274.342 1.053 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)Cn2ccnc2)o1 ZINC000414471775 241217905 /nfs/dbraw/zinc/21/79/05/241217905.db2.gz RSORNPZDGLIRPJ-SNVBAGLBSA-N -1 3 283.353 1.399 10 0 CDAEHM C[C@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)C1CCCC1 ZINC000631966053 367108867 /nfs/dbraw/zinc/10/88/67/367108867.db2.gz MIGUDHFDZXHNQF-ZETCQYMHSA-N -1 3 276.383 1.706 10 0 CDAEHM NC(=O)C[C@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000358465033 367703558 /nfs/dbraw/zinc/70/35/58/367703558.db2.gz YSYNRSRDEWVJSM-AWEZNQCLSA-N -1 3 284.315 1.739 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCCc2nc(C)no2)o1 ZINC000358429883 367677222 /nfs/dbraw/zinc/67/72/22/367677222.db2.gz RPGHMRHAEWUSLL-UHFFFAOYSA-N -1 3 285.325 1.191 10 0 CDAEHM CCCCN(C)CC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358432691 367679471 /nfs/dbraw/zinc/67/94/71/367679471.db2.gz WYQBYCVXVOJTEP-UHFFFAOYSA-N -1 3 274.386 1.598 10 0 CDAEHM Cc1cc(S(=O)(=O)[N-]CC2COC2)c(Cl)cc1F ZINC000528565813 367902520 /nfs/dbraw/zinc/90/25/20/367902520.db2.gz XPRPXFFUPYWSBK-UHFFFAOYSA-N -1 3 293.747 1.712 10 0 CDAEHM Cc1ccc2ncnc(Sc3nnc(CO)[n-]3)c2c1 ZINC000530425743 368193707 /nfs/dbraw/zinc/19/37/07/368193707.db2.gz BVLLETAVMZGHNR-UHFFFAOYSA-N -1 3 273.321 1.700 10 0 CDAEHM Cc1ccc2ncnc(Sc3n[n-]c(CO)n3)c2c1 ZINC000530425743 368193710 /nfs/dbraw/zinc/19/37/10/368193710.db2.gz BVLLETAVMZGHNR-UHFFFAOYSA-N -1 3 273.321 1.700 10 0 CDAEHM CCc1cccc(C(=O)N(CC)CC(=O)OC)c1[O-] ZINC000539889841 368491931 /nfs/dbraw/zinc/49/19/31/368491931.db2.gz SFGWZXMFBQILJJ-UHFFFAOYSA-N -1 3 265.309 1.590 10 0 CDAEHM COc1nc(NC(=O)Cc2ccn(-c3ccccc3)n2)n[n-]1 ZINC000540916494 368570771 /nfs/dbraw/zinc/57/07/71/368570771.db2.gz QEEGWSRPKOJRKB-UHFFFAOYSA-N -1 3 298.306 1.180 10 0 CDAEHM COc1nnc(NC(=O)Cc2ccn(-c3ccccc3)n2)[n-]1 ZINC000540916494 368570774 /nfs/dbraw/zinc/57/07/74/368570774.db2.gz QEEGWSRPKOJRKB-UHFFFAOYSA-N -1 3 298.306 1.180 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2ccn(-c3ccccc3)n2)n1 ZINC000540916494 368570779 /nfs/dbraw/zinc/57/07/79/368570779.db2.gz QEEGWSRPKOJRKB-UHFFFAOYSA-N -1 3 298.306 1.180 10 0 CDAEHM CSCCCC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000361014651 368598546 /nfs/dbraw/zinc/59/85/46/368598546.db2.gz VTHWDYAVJDYNMJ-UHFFFAOYSA-N -1 3 282.291 1.583 10 0 CDAEHM CSCCCC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000361014651 368598550 /nfs/dbraw/zinc/59/85/50/368598550.db2.gz VTHWDYAVJDYNMJ-UHFFFAOYSA-N -1 3 282.291 1.583 10 0 CDAEHM CSCCCC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000361014651 368598555 /nfs/dbraw/zinc/59/85/55/368598555.db2.gz VTHWDYAVJDYNMJ-UHFFFAOYSA-N -1 3 282.291 1.583 10 0 CDAEHM CCOC(=O)[C@H](CC)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000340219838 368685784 /nfs/dbraw/zinc/68/57/84/368685784.db2.gz SKQBHKASCKPUPD-JTQLQIEISA-N -1 3 283.328 1.296 10 0 CDAEHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cn(CC)cn2)CCO1 ZINC000420716294 244340571 /nfs/dbraw/zinc/34/05/71/244340571.db2.gz BWVCEQLVMYOFOT-QWRGUYRKSA-N -1 3 287.385 1.139 10 0 CDAEHM Cc1cccc2ncc(CNC3(c4nn[n-]n4)CCCC3)n21 ZINC000546035232 369308157 /nfs/dbraw/zinc/30/81/57/369308157.db2.gz LBXUSUIAIRSBQO-UHFFFAOYSA-N -1 3 297.366 1.715 10 0 CDAEHM COc1cc(C(=O)N[C@@H](C)[C@@H](C)OC)ccc1[O-] ZINC000276279702 193268265 /nfs/dbraw/zinc/26/82/65/193268265.db2.gz ZDCWKOUOEINKMO-DTWKUNHWSA-N -1 3 253.298 1.554 10 0 CDAEHM CC[C@H]1CCC[C@H]1NC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000547839205 369665007 /nfs/dbraw/zinc/66/50/07/369665007.db2.gz PGVLRMARIQUOGW-VHSXEESVSA-N -1 3 266.345 1.551 10 0 CDAEHM COC(C)(C)CS(=O)(=O)[N-][C@@H]1c2ccccc2O[C@H]1C ZINC000289819426 369677064 /nfs/dbraw/zinc/67/70/64/369677064.db2.gz KPAOVYDVSAGMIB-GWCFXTLKSA-N -1 3 299.392 1.853 10 0 CDAEHM COc1cc(=NC(=O)c2cc(F)cc3nc[nH]c32)[n-]n1C ZINC000548143058 369767068 /nfs/dbraw/zinc/76/70/68/369767068.db2.gz PQURVCNDNFTFGS-UHFFFAOYSA-N -1 3 289.270 1.118 10 0 CDAEHM COc1cc(=NC(=O)[C@@H](C)Cc2ccccc2F)[n-]n1C ZINC000548143768 369767216 /nfs/dbraw/zinc/76/72/16/369767216.db2.gz ZOLAXRMXQFMCLE-JTQLQIEISA-N -1 3 291.326 1.807 10 0 CDAEHM Cc1cccc(C(=O)NCC2(O)Cc3ccccc3C2)c1[O-] ZINC000369534516 369801801 /nfs/dbraw/zinc/80/18/01/369801801.db2.gz CHUFZNUIYQFUEF-UHFFFAOYSA-N -1 3 297.354 1.960 10 0 CDAEHM COc1cc(=NC(=O)N[C@@H]2CCC[C@@H](C)C2)[n-]n1C ZINC000548494474 369876956 /nfs/dbraw/zinc/87/69/56/369876956.db2.gz RYCWHMDNEFEXEE-NXEZZACHSA-N -1 3 266.345 1.551 10 0 CDAEHM COc1cc(=NC(=O)[C@H](C)c2c(F)cccc2F)[n-]n1C ZINC000548517860 369883510 /nfs/dbraw/zinc/88/35/10/369883510.db2.gz WWUZVHUQPPPISP-MRVPVSSYSA-N -1 3 295.289 1.871 10 0 CDAEHM CCc1ccc([O-])c(C(=O)NC[C@@]2(CCO)CCOC2)c1 ZINC000118976413 369929964 /nfs/dbraw/zinc/92/99/64/369929964.db2.gz GAWSCCCFGZWSBY-MRXNPFEDSA-N -1 3 293.363 1.474 10 0 CDAEHM CO[C@@H]1CCCC[C@H]1C(=O)Nc1nnc(SC)[n-]1 ZINC000293145374 370530653 /nfs/dbraw/zinc/53/06/53/370530653.db2.gz ULUUNJLQQJTHPH-HTQZYQBOSA-N -1 3 270.358 1.670 10 0 CDAEHM CO[C@@H]1CCCC[C@H]1C(=O)Nc1nc(SC)n[n-]1 ZINC000293145374 370530658 /nfs/dbraw/zinc/53/06/58/370530658.db2.gz ULUUNJLQQJTHPH-HTQZYQBOSA-N -1 3 270.358 1.670 10 0 CDAEHM CO[C@@H]1CCCC[C@H]1C(=O)Nc1n[n-]c(SC)n1 ZINC000293145374 370530662 /nfs/dbraw/zinc/53/06/62/370530662.db2.gz ULUUNJLQQJTHPH-HTQZYQBOSA-N -1 3 270.358 1.670 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-]Cc2ccc(C)cn2)sc1C ZINC000567777417 371143982 /nfs/dbraw/zinc/14/39/82/371143982.db2.gz FBHVEBKUTPDMBJ-UHFFFAOYSA-N -1 3 297.405 1.942 10 0 CDAEHM COc1ccc(CCNC(=O)c2c[n-]nn2)c(Cl)c1 ZINC000123221568 371334979 /nfs/dbraw/zinc/33/49/79/371334979.db2.gz BRLUFVGVIILGJW-UHFFFAOYSA-N -1 3 280.715 1.439 10 0 CDAEHM COc1ccc(CCNC(=O)c2cnn[n-]2)c(Cl)c1 ZINC000123221568 371334985 /nfs/dbraw/zinc/33/49/85/371334985.db2.gz BRLUFVGVIILGJW-UHFFFAOYSA-N -1 3 280.715 1.439 10 0 CDAEHM COc1ccc(CCNC(=O)c2cn[n-]n2)c(Cl)c1 ZINC000123221568 371334989 /nfs/dbraw/zinc/33/49/89/371334989.db2.gz BRLUFVGVIILGJW-UHFFFAOYSA-N -1 3 280.715 1.439 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1)[C@@H](O)C(F)F ZINC000295678887 371402259 /nfs/dbraw/zinc/40/22/59/371402259.db2.gz HUYLKFOUUNSDDH-NXEZZACHSA-N -1 3 297.298 1.509 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H](CO)C2)c1 ZINC000298360912 371483071 /nfs/dbraw/zinc/48/30/71/371483071.db2.gz OXPCTSKPGRIALT-VXGBXAGGSA-N -1 3 263.337 1.982 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-]C[C@@H]2CCOC2(C)C)s1 ZINC000660113149 412791914 /nfs/dbraw/zinc/79/19/14/412791914.db2.gz JCAHCCHRKQQLAQ-VIFPVBQESA-N -1 3 290.410 1.545 10 0 CDAEHM O=C([O-])[C@@H]1c2ccccc2CCN1C[C@H]1COCCO1 ZINC000573213816 371465764 /nfs/dbraw/zinc/46/57/64/371465764.db2.gz SVEHOQRVUXYUHY-JSGCOSHPSA-N -1 3 277.320 1.086 10 0 CDAEHM CCc1ccc(C(=O)NC2(CC(=O)OC)CC2)c([O-])c1 ZINC000573260583 371476873 /nfs/dbraw/zinc/47/68/73/371476873.db2.gz ZLFXHHHQZOREEU-UHFFFAOYSA-N -1 3 277.320 1.780 10 0 CDAEHM C[C@@H]1CCCN(CC[N-]S(=O)(=O)c2cscn2)C1 ZINC000577863853 372148525 /nfs/dbraw/zinc/14/85/25/372148525.db2.gz SFIMQXIQNNDWAU-SNVBAGLBSA-N -1 3 289.426 1.153 10 0 CDAEHM COc1cc(=NC(=O)NCC(C)(C)C(F)(F)F)[n-]n1C ZINC000578047221 372241756 /nfs/dbraw/zinc/24/17/56/372241756.db2.gz JSIFIRAUMCVLTM-UHFFFAOYSA-N -1 3 294.277 1.561 10 0 CDAEHM COC(=O)c1c(N)cc([O-])cc1OC(F)(F)F ZINC000575639260 372292907 /nfs/dbraw/zinc/29/29/07/372292907.db2.gz HDXHNPQEQQQMPK-UHFFFAOYSA-N -1 3 251.160 1.660 10 0 CDAEHM Cc1ocnc1C[N-]S(=O)(=O)CCOCC1CCC1 ZINC000645633910 372759027 /nfs/dbraw/zinc/75/90/27/372759027.db2.gz MLALOZGBMXFKKD-UHFFFAOYSA-N -1 3 288.369 1.219 10 0 CDAEHM O=C(c1cc(F)cc2[n-]nnc21)N1C[C@@H]2C[C@H]1CS2 ZINC000581295498 372920138 /nfs/dbraw/zinc/92/01/38/372920138.db2.gz MBULJQBFAPELCE-YUMQZZPRSA-N -1 3 278.312 1.427 10 0 CDAEHM O=C(c1cc(F)cc2nn[n-]c21)N1C[C@@H]2C[C@H]1CS2 ZINC000581295498 372920149 /nfs/dbraw/zinc/92/01/49/372920149.db2.gz MBULJQBFAPELCE-YUMQZZPRSA-N -1 3 278.312 1.427 10 0 CDAEHM O=C(c1cc(F)cc2n[n-]nc21)N1C[C@@H]2C[C@H]1CS2 ZINC000581295498 372920155 /nfs/dbraw/zinc/92/01/55/372920155.db2.gz MBULJQBFAPELCE-YUMQZZPRSA-N -1 3 278.312 1.427 10 0 CDAEHM NC(=O)Nc1ccc(CNC(=O)c2cccc([O-])c2)cc1 ZINC000193246640 373676452 /nfs/dbraw/zinc/67/64/52/373676452.db2.gz MFWGNVCEXHPHPN-UHFFFAOYSA-N -1 3 285.303 1.813 10 0 CDAEHM Cc1cccc2c1C[C@H](NC(=O)Cc1cncc([O-])c1)CO2 ZINC000628467026 374561662 /nfs/dbraw/zinc/56/16/62/374561662.db2.gz MSRKKVSFJVQHCD-ZDUSSCGKSA-N -1 3 298.342 1.758 10 0 CDAEHM CCCn1c(=O)[n-]nc1S(=O)(=O)Cc1ccc(C)cn1 ZINC000671193947 541968161 /nfs/dbraw/zinc/96/81/61/541968161.db2.gz MFEBCZTXCHBFRI-UHFFFAOYSA-N -1 3 296.352 1.071 10 0 CDAEHM CC[C@H](CO)N=c1cc(-c2ccccc2)n2[n-]cnc2n1 ZINC000631031561 374592487 /nfs/dbraw/zinc/59/24/87/374592487.db2.gz BNPRSIWDZRQFFA-GFCCVEGCSA-N -1 3 283.335 1.396 10 0 CDAEHM CCC[C@@H](C)CN1CCN(c2nc(=N)[n-]s2)CC1 ZINC000342914443 374727377 /nfs/dbraw/zinc/72/73/77/374727377.db2.gz WZZQJLMEOQPJDP-SNVBAGLBSA-N -1 3 269.418 1.509 10 0 CDAEHM COC[C@H](C)CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427062890 247091437 /nfs/dbraw/zinc/09/14/37/247091437.db2.gz BJYLJXGLSNXOKY-SNVBAGLBSA-N -1 3 289.339 1.402 10 0 CDAEHM COC[C@H](C)CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427062890 247091441 /nfs/dbraw/zinc/09/14/41/247091441.db2.gz BJYLJXGLSNXOKY-SNVBAGLBSA-N -1 3 289.339 1.402 10 0 CDAEHM Cc1ccc(Cn2cc(Cl)c(=O)[n-]c2=O)c(C)n1 ZINC000334492965 375665222 /nfs/dbraw/zinc/66/52/22/375665222.db2.gz QWLZILUVOXDJRO-UHFFFAOYSA-N -1 3 265.700 1.662 10 0 CDAEHM CCC[C@@H](O)CN=c1[n-]c(C(=O)OC)c(C)s1 ZINC000427987257 247224672 /nfs/dbraw/zinc/22/46/72/247224672.db2.gz ATCYVCXSWAGNJZ-MRVPVSSYSA-N -1 3 258.343 1.233 10 0 CDAEHM CCN(CC(C)C)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000330417361 376107074 /nfs/dbraw/zinc/10/70/74/376107074.db2.gz BNIUGBNFHZTPDK-UHFFFAOYSA-N -1 3 266.345 1.366 10 0 CDAEHM COC1(CS(=O)(=O)[N-]Cc2csc(C)n2)CCC1 ZINC000631764697 376564945 /nfs/dbraw/zinc/56/49/45/376564945.db2.gz PRPAGIAJPBEGDJ-UHFFFAOYSA-N -1 3 290.410 1.440 10 0 CDAEHM CC/C=C(\C)C(=O)N(C)CCNC(=O)c1ccccc1[O-] ZINC001580648362 1172496845 /nfs/dbraw/zinc/49/68/45/1172496845.db2.gz INYLXVJXCKUMOF-KPKJPENVSA-N -1 3 290.363 1.937 10 0 CDAEHM C[C@@H]1CC([N-]S(=O)(=O)c2c[nH]c(=O)s2)C[C@@H](C)C1 ZINC000632017117 376912889 /nfs/dbraw/zinc/91/28/89/376912889.db2.gz NXNZNWUQVZCCEE-YUMQZZPRSA-N -1 3 290.410 1.952 10 0 CDAEHM [O-]c1cc(F)cc(CN2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000248767879 377325835 /nfs/dbraw/zinc/32/58/35/377325835.db2.gz VFYTWZMKWOMRPH-CABCVRRESA-N -1 3 281.327 1.911 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)[C@H]1CC1(C)C ZINC000632468512 377504530 /nfs/dbraw/zinc/50/45/30/377504530.db2.gz XBHQHLNFQOGIEP-SFYZADRCSA-N -1 3 290.410 1.952 10 0 CDAEHM COC(OC)[C@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000079611251 284661034 /nfs/dbraw/zinc/66/10/34/284661034.db2.gz IRJDMOCMJYYXHG-VIFPVBQESA-N -1 3 253.298 1.438 10 0 CDAEHM O=c1[nH]cc(S(=O)(=O)[N-]C[C@@H]2CC[C@H]3C[C@H]3C2)s1 ZINC000632589183 377643337 /nfs/dbraw/zinc/64/33/37/377643337.db2.gz HFKQMIBXVDHYCA-HRDYMLBCSA-N -1 3 288.394 1.563 10 0 CDAEHM COc1cncc(S(=O)(=O)[N-]CC(C)(C)F)c1 ZINC000632608641 377659166 /nfs/dbraw/zinc/65/91/66/377659166.db2.gz ZASYQNDQAFXJRF-UHFFFAOYSA-N -1 3 262.306 1.117 10 0 CDAEHM COc1ccsc1S(=O)(=O)[N-][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000632647846 377704929 /nfs/dbraw/zinc/70/49/29/377704929.db2.gz IICCOEYKDPHQOX-IWSPIJDZSA-N -1 3 291.394 1.601 10 0 CDAEHM Cn1cnc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@@H]2CCCO2)c1 ZINC000632701617 377762517 /nfs/dbraw/zinc/76/25/17/377762517.db2.gz MUHCZUOHLVWYLQ-AAEUAGOBSA-N -1 3 299.396 1.046 10 0 CDAEHM COc1cc(=NC(=O)[C@H](c2cccnc2)C(C)C)[n-]n1C ZINC000572232938 377790131 /nfs/dbraw/zinc/79/01/31/377790131.db2.gz STRHRNDKVKGNRJ-AWEZNQCLSA-N -1 3 288.351 1.624 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@@H](C)O[C@H]2C)n1 ZINC000632786352 377854542 /nfs/dbraw/zinc/85/45/42/377854542.db2.gz 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COc1nc(NC(=O)COC[C@H](C)c2ccccc2)n[n-]1 ZINC000651634034 398131305 /nfs/dbraw/zinc/13/13/05/398131305.db2.gz LSBOEPCWHWVKES-JTQLQIEISA-N -1 3 290.323 1.572 10 0 CDAEHM COc1nnc(NC(=O)COC[C@H](C)c2ccccc2)[n-]1 ZINC000651634034 398131308 /nfs/dbraw/zinc/13/13/08/398131308.db2.gz LSBOEPCWHWVKES-JTQLQIEISA-N -1 3 290.323 1.572 10 0 CDAEHM COc1n[n-]c(NC(=O)COC[C@H](C)c2ccccc2)n1 ZINC000651634034 398131314 /nfs/dbraw/zinc/13/13/14/398131314.db2.gz LSBOEPCWHWVKES-JTQLQIEISA-N -1 3 290.323 1.572 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000105569924 147223447 /nfs/dbraw/zinc/22/34/47/147223447.db2.gz LZXREGOGDLSQOJ-CYBMUJFWSA-N -1 3 290.363 1.247 10 0 CDAEHM Cc1cc([N-]C(=O)COc2nc(C(C)(C)C)no2)on1 ZINC000107421525 147245776 /nfs/dbraw/zinc/24/57/76/147245776.db2.gz RVKDJXSXVATYQM-UHFFFAOYSA-N -1 3 280.284 1.681 10 0 CDAEHM COc1nnc(NC(=O)c2ccnc(SC)c2)[n-]1 ZINC000179375703 148110412 /nfs/dbraw/zinc/11/04/12/148110412.db2.gz QAPQRXONLPSNAU-UHFFFAOYSA-N -1 3 265.298 1.183 10 0 CDAEHM COc1nc(NC(=O)c2ccnc(SC)c2)n[n-]1 ZINC000179375703 148110414 /nfs/dbraw/zinc/11/04/14/148110414.db2.gz QAPQRXONLPSNAU-UHFFFAOYSA-N -1 3 265.298 1.183 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccnc(SC)c2)n1 ZINC000179375703 148110416 /nfs/dbraw/zinc/11/04/16/148110416.db2.gz QAPQRXONLPSNAU-UHFFFAOYSA-N -1 3 265.298 1.183 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N[C@@H](C(=O)NC)C(C)C)c1 ZINC000179911153 148135793 /nfs/dbraw/zinc/13/57/93/148135793.db2.gz ORYSJWXUIQGUJZ-CYBMUJFWSA-N -1 3 278.352 1.455 10 0 CDAEHM Cn1cc([C@H]2CCCN2C(=O)/C=C/c2cncc([O-])c2)cn1 ZINC000181979554 148234771 /nfs/dbraw/zinc/23/47/71/148234771.db2.gz YNUGQJDVKBBROV-MBVDDHJVSA-N -1 3 298.346 1.898 10 0 CDAEHM COc1nnc(NC(=O)CC=Cc2cccc(F)c2)[n-]1 ZINC000183011213 148282158 /nfs/dbraw/zinc/28/21/58/148282158.db2.gz PAVZBACPQFLRRI-HWKANZROSA-N -1 3 276.271 1.994 10 0 CDAEHM COc1nc(NC(=O)CC=Cc2cccc(F)c2)n[n-]1 ZINC000183011213 148282161 /nfs/dbraw/zinc/28/21/61/148282161.db2.gz PAVZBACPQFLRRI-HWKANZROSA-N -1 3 276.271 1.994 10 0 CDAEHM COc1n[n-]c(NC(=O)CC=Cc2cccc(F)c2)n1 ZINC000183011213 148282163 /nfs/dbraw/zinc/28/21/63/148282163.db2.gz PAVZBACPQFLRRI-HWKANZROSA-N -1 3 276.271 1.994 10 0 CDAEHM C[C@@H]1C[C@@H](C(=O)NCCCc2nc(=O)[n-][nH]2)CC(C)(C)C1 ZINC000184101173 148331913 /nfs/dbraw/zinc/33/19/13/148331913.db2.gz ZMNJQDBNDBELJK-GHMZBOCLSA-N -1 3 294.399 1.609 10 0 CDAEHM O=C(Cc1ccoc1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000184322128 148345533 /nfs/dbraw/zinc/34/55/33/148345533.db2.gz SCBJPPYNIRUZIJ-UHFFFAOYSA-N -1 3 283.291 1.565 10 0 CDAEHM O=C(Cc1ccoc1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000184322128 148345535 /nfs/dbraw/zinc/34/55/35/148345535.db2.gz SCBJPPYNIRUZIJ-UHFFFAOYSA-N -1 3 283.291 1.565 10 0 CDAEHM COc1cccc(C(=O)NCc2ncccc2[O-])c1OC ZINC000352498925 155228948 /nfs/dbraw/zinc/22/89/48/155228948.db2.gz CHEJQXSEOOPZBF-UHFFFAOYSA-N -1 3 288.303 1.734 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1cc(F)cc2nccnc21 ZINC000352506602 155236054 /nfs/dbraw/zinc/23/60/54/155236054.db2.gz HNNROGIQVZFDBU-UHFFFAOYSA-N -1 3 298.277 1.800 10 0 CDAEHM CC(C)OCCCC(=O)NCc1ncccc1[O-] ZINC000352510916 155239508 /nfs/dbraw/zinc/23/95/08/155239508.db2.gz VQUJOLTZNABILL-UHFFFAOYSA-N -1 3 252.314 1.609 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1ccc2nsnc2c1 ZINC000352515846 155242956 /nfs/dbraw/zinc/24/29/56/155242956.db2.gz IIZSFYISQHGDDQ-UHFFFAOYSA-N -1 3 286.316 1.722 10 0 CDAEHM COCC[C@H](COC)[N-]S(=O)(=O)c1cccs1 ZINC000352525183 155249935 /nfs/dbraw/zinc/24/99/35/155249935.db2.gz ZVGNELKNOPYYJT-SECBINFHSA-N -1 3 279.383 1.078 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2[C@H](C)C[C@@H]2C)c1 ZINC000335767796 151002607 /nfs/dbraw/zinc/00/26/07/151002607.db2.gz UHFPMIFTGGELDY-DTORHVGOSA-N -1 3 262.309 1.974 10 0 CDAEHM COc1nc(NC(=O)C(C)(C)CCC(C)=O)n[n-]1 ZINC000352638757 155319203 /nfs/dbraw/zinc/31/92/03/155319203.db2.gz VDFQFLCJRMYTST-UHFFFAOYSA-N -1 3 254.290 1.147 10 0 CDAEHM COc1nnc(NC(=O)C(C)(C)CCC(C)=O)[n-]1 ZINC000352638757 155319206 /nfs/dbraw/zinc/31/92/06/155319206.db2.gz VDFQFLCJRMYTST-UHFFFAOYSA-N -1 3 254.290 1.147 10 0 CDAEHM COc1n[n-]c(NC(=O)C(C)(C)CCC(C)=O)n1 ZINC000352638757 155319207 /nfs/dbraw/zinc/31/92/07/155319207.db2.gz VDFQFLCJRMYTST-UHFFFAOYSA-N -1 3 254.290 1.147 10 0 CDAEHM COc1nnc(NC(=O)c2cncnc2-c2ccccc2)[n-]1 ZINC000352684329 155362465 /nfs/dbraw/zinc/36/24/65/155362465.db2.gz KYSNWAJSUZFBTG-UHFFFAOYSA-N -1 3 296.290 1.523 10 0 CDAEHM COc1nc(NC(=O)c2cncnc2-c2ccccc2)n[n-]1 ZINC000352684329 155362469 /nfs/dbraw/zinc/36/24/69/155362469.db2.gz KYSNWAJSUZFBTG-UHFFFAOYSA-N -1 3 296.290 1.523 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cncnc2-c2ccccc2)n1 ZINC000352684329 155362470 /nfs/dbraw/zinc/36/24/70/155362470.db2.gz KYSNWAJSUZFBTG-UHFFFAOYSA-N -1 3 296.290 1.523 10 0 CDAEHM CC(=Cc1ccco1)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001585163983 1172881612 /nfs/dbraw/zinc/88/16/12/1172881612.db2.gz WHDBDBLFFHXGSK-BCPZQOPPSA-N -1 3 275.308 1.311 10 0 CDAEHM COc1nc(NC(=O)c2csc(C(F)(F)F)n2)n[n-]1 ZINC000193736418 286555347 /nfs/dbraw/zinc/55/53/47/286555347.db2.gz RNIIFJWONKDLTC-UHFFFAOYSA-N -1 3 293.230 1.541 10 0 CDAEHM CO[C@@H](C)[C@@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000355951767 157296773 /nfs/dbraw/zinc/29/67/73/157296773.db2.gz GEVYHNNCOQOAEQ-ZJUUUORDSA-N -1 3 274.324 1.625 10 0 CDAEHM Cc1cc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)ns1 ZINC000377063486 160524453 /nfs/dbraw/zinc/52/44/53/160524453.db2.gz XBILLQCYNIGIIX-UHFFFAOYSA-N -1 3 285.332 1.911 10 0 CDAEHM CC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@]2(CCOC2)O1 ZINC000366543202 287176145 /nfs/dbraw/zinc/17/61/45/287176145.db2.gz ZSDGQRIOETZGTA-MLGOLLRUSA-N -1 3 291.347 1.802 10 0 CDAEHM CCOC(=O)c1c[n-]nc1NC(=O)c1ccccc1F ZINC000005316156 170085142 /nfs/dbraw/zinc/08/51/42/170085142.db2.gz RUUWZJYVSBDOPX-UHFFFAOYSA-N -1 3 277.255 1.978 10 0 CDAEHM C[C@H](c1cccnc1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000284322926 196029952 /nfs/dbraw/zinc/02/99/52/196029952.db2.gz PTSVZELJAZUQFN-SNVBAGLBSA-N -1 3 274.324 1.699 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2CCO[C@]3(CCCOC3)C2)n1 ZINC000285154078 196208997 /nfs/dbraw/zinc/20/89/97/196208997.db2.gz ADMFLTGRAYTHQW-SWLSCSKDSA-N -1 3 293.367 1.433 10 0 CDAEHM CC(C)[C@@H](NC(=O)CNCCC(=O)[O-])c1cccs1 ZINC000035386211 172167819 /nfs/dbraw/zinc/16/78/19/172167819.db2.gz LXDAKEBJJLFGGQ-CYBMUJFWSA-N -1 3 284.381 1.626 10 0 CDAEHM Cc1sc2[nH]c(CN[C@H](C)C(=O)[O-])nc(=O)c2c1C ZINC000035388911 172171379 /nfs/dbraw/zinc/17/13/79/172171379.db2.gz YGKXQKPSVZMACI-ZCFIWIBFSA-N -1 3 281.337 1.164 10 0 CDAEHM CN[C@H](C)c1cccc(S(=O)(=O)[N-]c2nncs2)c1 ZINC000035632670 172315517 /nfs/dbraw/zinc/31/55/17/172315517.db2.gz DOALEVKJIGZCIS-MRVPVSSYSA-N -1 3 298.393 1.619 10 0 CDAEHM CCc1ccc2[nH]c([C@@]3(C)NC(=O)[N-]C3=O)cc2c1 ZINC000222610774 413706701 /nfs/dbraw/zinc/70/67/01/413706701.db2.gz BXZCEQZKSPCBBQ-CQSZACIVSA-N -1 3 257.293 1.785 10 0 CDAEHM C[C@H](NC(=O)[C@H]1CCCCN1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656855935 413763696 /nfs/dbraw/zinc/76/36/96/413763696.db2.gz VHOXPUYSYAQOKW-NNYUYHANSA-N -1 3 282.384 1.380 10 0 CDAEHM O=S(=O)([N-][C@H](CO)C1CCC1)c1cccs1 ZINC000657056999 413881059 /nfs/dbraw/zinc/88/10/59/413881059.db2.gz HZSWDPGZRGSVDB-SECBINFHSA-N -1 3 261.368 1.187 10 0 CDAEHM C[C@H](NC(=O)NCc1nc(CN)cc(=O)[n-]1)C1CCCC1 ZINC000659454944 413839652 /nfs/dbraw/zinc/83/96/52/413839652.db2.gz QLHWVYDQJGKQFP-VIFPVBQESA-N -1 3 293.371 1.019 10 0 CDAEHM Cc1cc([N-]C(=O)[C@@H](C)N2CCO[C@](C)(C3CC3)C2)on1 ZINC000661171726 413859723 /nfs/dbraw/zinc/85/97/23/413859723.db2.gz XMCGYZFGPDSVCI-ABAIWWIYSA-N -1 3 293.367 1.811 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@](C)(CC)C2CC2)c1 ZINC000657180285 414012238 /nfs/dbraw/zinc/01/22/38/414012238.db2.gz YQEVRSFIBGZIQJ-GFCCVEGCSA-N -1 3 271.386 1.760 10 0 CDAEHM CC(C)c1nc(S(=O)(=O)[N-]C[C@]2(C)CC2(F)F)c[nH]1 ZINC000657154804 413985167 /nfs/dbraw/zinc/98/51/67/413985167.db2.gz CXDDJVYCMMPCPH-JTQLQIEISA-N -1 3 293.339 1.857 10 0 CDAEHM CC(C)N[C@@H](C(=O)[O-])c1cnn(-c2ccccc2)c1 ZINC000037183177 173015109 /nfs/dbraw/zinc/01/51/09/173015109.db2.gz PTZSXYQDPJAULV-CYBMUJFWSA-N -1 3 259.309 1.996 10 0 CDAEHM C[C@@](NC1CC1)(C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000037183402 173015688 /nfs/dbraw/zinc/01/56/88/173015688.db2.gz JVJLIKXRJDFOED-ZDUSSCGKSA-N -1 3 283.349 1.142 10 0 CDAEHM CC(C)c1ccc(C(=O)N[C@@H]2CCNC(=O)CC2)c([O-])c1 ZINC000665657949 414339623 /nfs/dbraw/zinc/33/96/23/414339623.db2.gz GEIZHUGVIFQWCH-LBPRGKRZSA-N -1 3 290.363 1.914 10 0 CDAEHM COc1cccc(C(=O)N2Cc3c[nH]nc3C2)c1[O-] ZINC000311747142 414340730 /nfs/dbraw/zinc/34/07/30/414340730.db2.gz IBJYFEZBNAXNNL-UHFFFAOYSA-N -1 3 259.265 1.280 10 0 CDAEHM O=C1NCC[C@@H]1NCc1cccc([O-])c1Br ZINC000657522125 414414732 /nfs/dbraw/zinc/41/47/32/414414732.db2.gz GEILIAMYIDTPMD-QMMMGPOBSA-N -1 3 285.141 1.133 10 0 CDAEHM Cc1cc(CN(CC(=O)[O-])CC(C)(C)C)ncn1 ZINC000662225565 414573981 /nfs/dbraw/zinc/57/39/81/414573981.db2.gz VRSJHYYRXVHLLT-UHFFFAOYSA-N -1 3 251.330 1.718 10 0 CDAEHM O=c1nc(CNCC[C@H]2CCCO2)[n-]c2ccsc21 ZINC000038097244 174111066 /nfs/dbraw/zinc/11/10/66/174111066.db2.gz XQCVJKUNLCQPOT-SECBINFHSA-N -1 3 279.365 1.643 10 0 CDAEHM NC1(C(=O)N2CCCC[C@@H]2C(=O)[O-])CCCCC1 ZINC000040472224 174280497 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ZINC000040483149 174286442 /nfs/dbraw/zinc/28/64/42/174286442.db2.gz WNJGODZQTIMHMR-LBPRGKRZSA-N -1 3 264.325 1.171 10 0 CDAEHM CCC[C@@](C)(N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000040486826 174289444 /nfs/dbraw/zinc/28/94/44/174289444.db2.gz FLBMJQDXSUUKBH-XJKSGUPXSA-N -1 3 290.363 1.542 10 0 CDAEHM CCCC[C@H](NC(=O)NC[C@H]1CCCN1CC)C(=O)[O-] ZINC000040552851 174329707 /nfs/dbraw/zinc/32/97/07/174329707.db2.gz MVCNEUJJDCDZHC-NEPJUHHUSA-N -1 3 285.388 1.413 10 0 CDAEHM COCCS(=O)(=O)[N-][C@H](CC(C)C)c1nccs1 ZINC000040665936 174366337 /nfs/dbraw/zinc/36/63/37/174366337.db2.gz JZRUTQATUGRIFH-SNVBAGLBSA-N -1 3 292.426 1.796 10 0 CDAEHM CN1CCC[C@@H](NC(=O)Nc2cc(F)ccc2C(=O)[O-])C1 ZINC000040716373 174383653 /nfs/dbraw/zinc/38/36/53/174383653.db2.gz YFFSSZKODBWXDE-SNVBAGLBSA-N -1 3 295.314 1.740 10 0 CDAEHM CCC[C@@](C)(N)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000043586278 175071648 /nfs/dbraw/zinc/07/16/48/175071648.db2.gz QHVFPCHGAUALSJ-SMDDNHRTSA-N -1 3 270.373 1.607 10 0 CDAEHM Cc1cc(=O)n(C2CCN(C)CC2)c(C)c1C(=O)[O-] ZINC000043673371 175087545 /nfs/dbraw/zinc/08/75/45/175087545.db2.gz RKJRMIOXNFESPO-UHFFFAOYSA-N -1 3 264.325 1.430 10 0 CDAEHM CCOC[C@@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000044414401 175172299 /nfs/dbraw/zinc/17/22/99/175172299.db2.gz CVKNACIDXLBADI-SECBINFHSA-N -1 3 261.318 1.529 10 0 CDAEHM C[C@]1(NCc2ccc([O-])c(Cl)c2)CCS(=O)(=O)C1 ZINC000044422154 175174289 /nfs/dbraw/zinc/17/42/89/175174289.db2.gz UVIIJYCMEUOMKE-LBPRGKRZSA-N -1 3 289.784 1.712 10 0 CDAEHM Nc1cc(C(=O)[O-])ccc1N[C@@H]1CCN(C2CC2)C1 ZINC000044679677 175228365 /nfs/dbraw/zinc/22/83/65/175228365.db2.gz AGFNYQJBQPNUOT-SNVBAGLBSA-N -1 3 261.325 1.616 10 0 CDAEHM O=c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2)c[nH]1 ZINC000044678901 175228789 /nfs/dbraw/zinc/22/87/89/175228789.db2.gz YXHKPYFVCKSEIK-OLZOCXBDSA-N -1 3 290.344 1.209 10 0 CDAEHM CCOC[C@@H](C)[N-]S(=O)(=O)c1cc(N)c(F)cc1F ZINC000044687106 175231953 /nfs/dbraw/zinc/23/19/53/175231953.db2.gz KLKKZSFFYHSTBO-SSDOTTSWSA-N -1 3 294.323 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252.299 1.667 10 0 CDAEHM CCOC(=O)c1[n-]nnc1-c1cnc(CC)s1 ZINC000725266581 538456568 /nfs/dbraw/zinc/45/65/68/538456568.db2.gz RHCJLYGVAGIOGZ-UHFFFAOYSA-N -1 3 252.299 1.667 10 0 CDAEHM CCOC(=O)c1n[n-]nc1-c1cnc(CC)s1 ZINC000725266581 538456570 /nfs/dbraw/zinc/45/65/70/538456570.db2.gz RHCJLYGVAGIOGZ-UHFFFAOYSA-N -1 3 252.299 1.667 10 0 CDAEHM CC(C)(CO)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000128947770 538701928 /nfs/dbraw/zinc/70/19/28/538701928.db2.gz VIYMIVSLAQBRGR-UHFFFAOYSA-N -1 3 274.320 1.276 10 0 CDAEHM O=C(Cc1ccc2c(c1)NCC2)NCc1ncccc1[O-] ZINC000584047530 356855101 /nfs/dbraw/zinc/85/51/01/356855101.db2.gz NBTLZAALXMHRJI-UHFFFAOYSA-N -1 3 283.331 1.614 10 0 CDAEHM CN(C(=O)c1c([O-])cc(F)cc1F)[C@@H]1CCCN(C)C1 ZINC000081736314 538783954 /nfs/dbraw/zinc/78/39/54/538783954.db2.gz QDVWHZNGXDUAFZ-SNVBAGLBSA-N -1 3 284.306 1.837 10 0 CDAEHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)[C@H]1CCCO1 ZINC000186252461 357629561 /nfs/dbraw/zinc/62/95/61/357629561.db2.gz PLBYSEPYCQINBI-CMPLNLGQSA-N -1 3 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280.456 1.611 10 0 CDAEHM C[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000189555628 391316260 /nfs/dbraw/zinc/31/62/60/391316260.db2.gz QVNIOPAQBPZKAK-ONGXEEELSA-N -1 3 267.300 1.963 10 0 CDAEHM CCC(C)(C)[C@@H]1CCCN1C(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000408426999 391342192 /nfs/dbraw/zinc/34/21/92/391342192.db2.gz YHPBQZWYRQRITF-QMMMGPOBSA-N -1 3 294.355 1.511 10 0 CDAEHM CC(C)C[C@H]([N-]S(=O)(=O)CC1CC1)C(=O)OC(C)C ZINC000531356790 391481364 /nfs/dbraw/zinc/48/13/64/391481364.db2.gz KULYSCNHVVACOP-LBPRGKRZSA-N -1 3 291.413 1.682 10 0 CDAEHM [O-]c1cccc(CNC[C@H](O)[C@H]2CCCO2)c1Cl ZINC000527754090 391502653 /nfs/dbraw/zinc/50/26/53/391502653.db2.gz DEKWJJSYLKVLTB-NWDGAFQWSA-N -1 3 271.744 1.675 10 0 CDAEHM COC(=O)[C@@H]1CC[C@H](C(=O)Nc2nnc(SC)[n-]2)C1 ZINC000411754928 391524604 /nfs/dbraw/zinc/52/46/04/391524604.db2.gz HUHUTYUQWDHDHY-NKWVEPMBSA-N -1 3 284.341 1.054 10 0 CDAEHM COC(=O)[C@@H]1CC[C@H](C(=O)Nc2nc(SC)n[n-]2)C1 ZINC000411754928 391524608 /nfs/dbraw/zinc/52/46/08/391524608.db2.gz HUHUTYUQWDHDHY-NKWVEPMBSA-N -1 3 284.341 1.054 10 0 CDAEHM COC(=O)[C@@H]1CC[C@H](C(=O)Nc2n[n-]c(SC)n2)C1 ZINC000411754928 391524609 /nfs/dbraw/zinc/52/46/09/391524609.db2.gz HUHUTYUQWDHDHY-NKWVEPMBSA-N -1 3 284.341 1.054 10 0 CDAEHM COc1nnc(NC(=O)CCc2cccc(OC)c2F)[n-]1 ZINC000285945162 391538100 /nfs/dbraw/zinc/53/81/00/391538100.db2.gz YXXIJNGDHWSHFX-UHFFFAOYSA-N -1 3 294.286 1.532 10 0 CDAEHM COc1nc(NC(=O)CCc2cccc(OC)c2F)n[n-]1 ZINC000285945162 391538102 /nfs/dbraw/zinc/53/81/02/391538102.db2.gz YXXIJNGDHWSHFX-UHFFFAOYSA-N -1 3 294.286 1.532 10 0 CDAEHM COc1n[n-]c(NC(=O)CCc2cccc(OC)c2F)n1 ZINC000285945162 391538103 /nfs/dbraw/zinc/53/81/03/391538103.db2.gz YXXIJNGDHWSHFX-UHFFFAOYSA-N -1 3 294.286 1.532 10 0 CDAEHM C[C@@H]1CC[C@@H](O)CN1C(=O)c1c([O-])cccc1O ZINC000399270590 391665938 /nfs/dbraw/zinc/66/59/38/391665938.db2.gz WNOQRERNKDXKIO-RKDXNWHRSA-N -1 3 251.282 1.083 10 0 CDAEHM CCOC[C@H](NCc1c(F)cccc1CC)C(=O)[O-] ZINC000417599314 391693631 /nfs/dbraw/zinc/69/36/31/391693631.db2.gz DKCJMKRSJINTBW-ZDUSSCGKSA-N -1 3 269.316 1.967 10 0 CDAEHM CCc1ncc(C[N-]S(=O)(=O)c2cn(CC)c(C)n2)o1 ZINC000519745783 391703146 /nfs/dbraw/zinc/70/31/46/391703146.db2.gz NWOQGXVGSXPMSP-UHFFFAOYSA-N -1 3 298.368 1.240 10 0 CDAEHM CN(C)c1nc(C(=O)N[C@@H]2CCCC2(C)C)cc(=O)[n-]1 ZINC000407988946 391801977 /nfs/dbraw/zinc/80/19/77/391801977.db2.gz INPRQWNXSPDEAH-SNVBAGLBSA-N -1 3 278.356 1.557 10 0 CDAEHM C[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)C1 ZINC000549726125 391957416 /nfs/dbraw/zinc/95/74/16/391957416.db2.gz KNFBVOHQGOZQFL-WOPDTQHZSA-N -1 3 291.399 1.717 10 0 CDAEHM Cc1ccccc1CNC(=O)[C@@H](C)N(C)CCCC(=O)[O-] ZINC000430671803 392040284 /nfs/dbraw/zinc/04/02/84/392040284.db2.gz RLXTZFIEYUCNHE-CYBMUJFWSA-N -1 3 292.379 1.796 10 0 CDAEHM C[N-]S(=O)(=O)c1ccc(-c2cn(C)nc2C)s1 ZINC000649442545 392223243 /nfs/dbraw/zinc/22/32/43/392223243.db2.gz UMXQXQDCALDOSM-UHFFFAOYSA-N -1 3 271.367 1.365 10 0 CDAEHM C[C@@]1(C(=O)NCc2ncccc2[O-])CCCCO1 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CS[C@H](C)CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000128703634 392724129 /nfs/dbraw/zinc/72/41/29/392724129.db2.gz PVNYVMKFHZDSEH-SECBINFHSA-N -1 3 291.380 1.871 10 0 CDAEHM COc1ccc(C(=O)N2CCN(C(C)=O)C[C@H]2C)c([O-])c1 ZINC000268802293 132068568 /nfs/dbraw/zinc/06/85/68/132068568.db2.gz PPEQHUGFWRSFNB-SNVBAGLBSA-N -1 3 292.335 1.094 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cnc2c(c1)nnn2C ZINC000649230846 393125438 /nfs/dbraw/zinc/12/54/38/393125438.db2.gz ZTBIBEAVQUULQR-UHFFFAOYSA-N -1 3 299.338 1.192 10 0 CDAEHM CCc1c(C(=O)N=c2[nH][n-]c(C(C)C)c2C)cnn1C ZINC000649232590 393131479 /nfs/dbraw/zinc/13/14/79/393131479.db2.gz HTRNRESDYBQUTI-UHFFFAOYSA-N -1 3 275.356 1.812 10 0 CDAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ncccc1Cl ZINC000451332683 393224570 /nfs/dbraw/zinc/22/45/70/393224570.db2.gz WJWYFDFLRGSMRP-JTQLQIEISA-N -1 3 292.726 1.984 10 0 CDAEHM C[C@@]1(O)CCCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000231809300 393293909 /nfs/dbraw/zinc/29/39/09/393293909.db2.gz YBVZRCDAZFADSO-CQSZACIVSA-N -1 3 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413933694 /nfs/dbraw/zinc/93/36/94/413933694.db2.gz AJQCZCOUINHABC-MGCOHNPYSA-N -1 3 274.317 1.067 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-]CCO[C@@H]2CC2(F)F)c1 ZINC000657118626 413943418 /nfs/dbraw/zinc/94/34/18/413943418.db2.gz JXRUMIPMXRHVOR-MRVPVSSYSA-N -1 3 297.348 1.759 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)n3ncnc32)o1 ZINC000657069474 413893287 /nfs/dbraw/zinc/89/32/87/413893287.db2.gz WJKJCGZUPNKUCK-VXNVDRBHSA-N -1 3 282.325 1.164 10 0 CDAEHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccccn2)O1 ZINC000657152755 413979197 /nfs/dbraw/zinc/97/91/97/413979197.db2.gz GSDVIAOMQHISRQ-GHMZBOCLSA-N -1 3 270.354 1.318 10 0 CDAEHM CN[C@](C)(C(=O)[O-])c1ccccc1Br ZINC000037180629 173012659 /nfs/dbraw/zinc/01/26/59/173012659.db2.gz KEYCKKUAZODYAJ-JTQLQIEISA-N -1 3 258.115 1.968 10 0 CDAEHM CCOC1(C(=O)Nc2nnc(OC)[n-]2)CCCC1 ZINC000285695547 196369366 /nfs/dbraw/zinc/36/93/66/196369366.db2.gz CKDVYPJGFWGFPU-UHFFFAOYSA-N -1 3 254.290 1.101 10 0 CDAEHM CCOC1(C(=O)Nc2n[n-]c(OC)n2)CCCC1 ZINC000285695547 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CC1(C)CN(C(=O)c2ccc(F)c([O-])c2)CCN1CCO ZINC001412852377 935060700 /nfs/dbraw/zinc/06/07/00/935060700.db2.gz YWDPOYODTSJFPF-UHFFFAOYSA-N -1 3 296.342 1.060 10 0 CDAEHM CCC(C)(C)[C@H](O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001362005020 970765507 /nfs/dbraw/zinc/76/55/07/970765507.db2.gz UMJOTEFCRNYNDU-LLVKDONJSA-N -1 3 289.339 1.602 10 0 CDAEHM CCC(C)(C)[C@H](O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001362005020 970765514 /nfs/dbraw/zinc/76/55/14/970765514.db2.gz UMJOTEFCRNYNDU-LLVKDONJSA-N -1 3 289.339 1.602 10 0 CDAEHM Cc1cc(=O)[n-]c(CN[C@@H](CO)c2cc(F)ccc2F)n1 ZINC001413086358 935896204 /nfs/dbraw/zinc/89/62/04/935896204.db2.gz SPPUPZOMBNDVOO-LBPRGKRZSA-N -1 3 295.289 1.592 10 0 CDAEHM Cc1nc([C@@H](C)NC(=O)c2cc(C)cc(C=O)c2[O-])n[nH]1 ZINC001568716199 1169444937 /nfs/dbraw/zinc/44/49/37/1169444937.db2.gz ILUWXVAJBVPYDE-MRVPVSSYSA-N -1 3 288.307 1.431 10 0 CDAEHM CC[C@H](C)C[C@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000400760622 940855375 /nfs/dbraw/zinc/85/53/75/940855375.db2.gz 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/nfs/dbraw/zinc/09/73/85/971097385.db2.gz QLPLVJZYSSYQRH-WQAKAFBOSA-N -1 3 293.367 1.752 10 0 CDAEHM CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2cnncc2[O-])cc1 ZINC001362745847 971582760 /nfs/dbraw/zinc/58/27/60/971582760.db2.gz ZSZVFPHUCKBNNG-GXTWGEPZSA-N -1 3 299.330 1.867 10 0 CDAEHM C[C@@H](NC(=O)CC1CSC1)c1nc(C(F)(F)F)n[n-]1 ZINC001362998102 971802728 /nfs/dbraw/zinc/80/27/28/971802728.db2.gz ITYSAFLFXPTEQH-RXMQYKEDSA-N -1 3 294.302 1.754 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)NN1C[C@@H]2CCC[C@H]2C1 ZINC001363102088 971888802 /nfs/dbraw/zinc/88/88/02/971888802.db2.gz LGSXMWSWZNMCQE-RYUDHWBXSA-N -1 3 278.327 1.837 10 0 CDAEHM CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)c2cc(=O)[n-]cn2)C1 ZINC001363167542 971941525 /nfs/dbraw/zinc/94/15/25/971941525.db2.gz MJWRYZCPHUTAIV-DTORHVGOSA-N -1 3 293.323 1.032 10 0 CDAEHM Cc1nccc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)n1 ZINC001364292152 954429655 /nfs/dbraw/zinc/42/96/55/954429655.db2.gz YAPYGVDZKPBBTJ-UHFFFAOYSA-N -1 3 289.295 1.326 10 0 CDAEHM Cc1nccc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)n1 ZINC001364292152 954429659 /nfs/dbraw/zinc/42/96/59/954429659.db2.gz YAPYGVDZKPBBTJ-UHFFFAOYSA-N -1 3 289.295 1.326 10 0 CDAEHM C[C@H]1CC(=O)NN1Cc1nnc(-c2ccccc2[O-])o1 ZINC001364418880 954591381 /nfs/dbraw/zinc/59/13/81/954591381.db2.gz MSENKOVRDGUBRT-QMMMGPOBSA-N -1 3 274.280 1.068 10 0 CDAEHM CCOC(=O)CCN1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001364488558 954679066 /nfs/dbraw/zinc/67/90/66/954679066.db2.gz FDIAVDRLDIXUEF-UHFFFAOYSA-N -1 3 277.324 1.328 10 0 CDAEHM O=C(CN1CC[C@@H](c2nnn[n-]2)C1)c1ccccc1F ZINC001364504095 954698762 /nfs/dbraw/zinc/69/87/62/954698762.db2.gz QADOTBYFNVBMTE-SECBINFHSA-N -1 3 275.287 1.011 10 0 CDAEHM O=C(CN1CC[C@@H](c2nn[n-]n2)C1)c1ccccc1F ZINC001364504095 954698775 /nfs/dbraw/zinc/69/87/75/954698775.db2.gz QADOTBYFNVBMTE-SECBINFHSA-N -1 3 275.287 1.011 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNc1cc(Cl)nc(C2CC2)n1 ZINC001364533256 954752777 /nfs/dbraw/zinc/75/27/77/954752777.db2.gz OIXNOKRCIFCMTL-SECBINFHSA-N -1 3 293.758 1.931 10 0 CDAEHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H](N)C1CCCCC1 ZINC001327400261 954865867 /nfs/dbraw/zinc/86/58/67/954865867.db2.gz YBFCKUSUPVGDOE-MNOVXSKESA-N -1 3 256.346 1.216 10 0 CDAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C/C=C/C1CC1 ZINC001327812985 955056638 /nfs/dbraw/zinc/05/66/38/955056638.db2.gz XDMGWVBRGNKTEV-ONEGZZNKSA-N -1 3 289.788 1.626 10 0 CDAEHM Cc1cc([C@@H](N)CC(=O)NC[C@@H](C)C(=O)[O-])cc(Cl)n1 ZINC001327895590 955103309 /nfs/dbraw/zinc/10/33/09/955103309.db2.gz NWVPOWASTRDQEU-XCBNKYQSSA-N -1 3 299.758 1.270 10 0 CDAEHM Cc1ccc([O-])c(C(=O)Nc2cnc(C(N)=O)s2)c1 ZINC001364749978 955133962 /nfs/dbraw/zinc/13/39/62/955133962.db2.gz XAAJSIAPHOVAGX-UHFFFAOYSA-N -1 3 277.305 1.508 10 0 CDAEHM O=C(N[C@H]1COC2(CCC2)C1)c1cc(F)cc2n[n-]nc21 ZINC001363319123 972084266 /nfs/dbraw/zinc/08/42/66/972084266.db2.gz IHTUKRFORNQEFR-SECBINFHSA-N -1 3 290.298 1.538 10 0 CDAEHM Clc1ncsc1CN1CCC(Cc2nnn[n-]2)CC1 ZINC001422194729 955830159 /nfs/dbraw/zinc/83/01/59/955830159.db2.gz OIZZEYUMCHYELI-UHFFFAOYSA-N -1 3 298.803 1.764 10 0 CDAEHM Clc1ncsc1CN1CCC(Cc2nn[n-]n2)CC1 ZINC001422194729 955830175 /nfs/dbraw/zinc/83/01/75/955830175.db2.gz OIZZEYUMCHYELI-UHFFFAOYSA-N -1 3 298.803 1.764 10 0 CDAEHM O=C([O-])c1cc(CN2CCC[C@@H]3COCC[C@@H]32)on1 ZINC001331983004 957381837 /nfs/dbraw/zinc/38/18/37/957381837.db2.gz BHVVHMDMAYEZCS-SKDRFNHKSA-N -1 3 266.297 1.374 10 0 CDAEHM CCCn1cc(CN[C@@H](CC=C(C)C)C(=O)[O-])nn1 ZINC001331984172 957383572 /nfs/dbraw/zinc/38/35/72/957383572.db2.gz ZVEDEQITRJHYIE-LBPRGKRZSA-N -1 3 266.345 1.587 10 0 CDAEHM CCOCCN1CC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001569346988 1169777836 /nfs/dbraw/zinc/77/78/36/1169777836.db2.gz RMTXEKSIKJRZOQ-LBPRGKRZSA-N -1 3 278.352 1.233 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@H]1CCc2ccccc21 ZINC001433721108 960556297 /nfs/dbraw/zinc/55/62/97/960556297.db2.gz FUGMKQKZUASMED-ZIAGYGMSSA-N -1 3 299.374 1.735 10 0 CDAEHM c1[n-][nH]c2ncnc(=NC3([C@H]4CCCO4)CCC3)c1-2 ZINC001337449060 961201222 /nfs/dbraw/zinc/20/12/22/961201222.db2.gz HRLVMKKAAFUBTM-SNVBAGLBSA-N -1 3 259.313 1.240 10 0 CDAEHM CC1(C)C(C)(C)C1(C)NC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC001439897462 963890326 /nfs/dbraw/zinc/89/03/26/963890326.db2.gz FFLLAOLDYNNIGB-UHFFFAOYSA-N -1 3 280.328 1.025 10 0 CDAEHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccoc3)c2c1=O ZINC001559001020 965387683 /nfs/dbraw/zinc/38/76/83/965387683.db2.gz VUXYONKJDLBYMG-UHFFFAOYSA-N -1 3 286.291 1.898 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C/C=C\Cc1ccccc1 ZINC001443445911 965468854 /nfs/dbraw/zinc/46/88/54/965468854.db2.gz CWMTTXCLKUFJNW-YVACAVLKSA-N -1 3 299.374 1.804 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](C)Cc1ccco1 ZINC001443448140 965469771 /nfs/dbraw/zinc/46/97/71/965469771.db2.gz GMAVXJLYRCXDDT-SKDRFNHKSA-N -1 3 277.324 1.086 10 0 CDAEHM O=C(Cc1cn2cc(F)ccc2n1)Nc1ncccc1[O-] ZINC001447604344 966828851 /nfs/dbraw/zinc/82/88/51/966828851.db2.gz MGBURKCMCUEBAN-UHFFFAOYSA-N -1 3 286.266 1.755 10 0 CDAEHM CSc1nc(NC(=O)C=C(C)c2cnccn2)n[n-]1 ZINC001544529424 967365397 /nfs/dbraw/zinc/36/53/97/967365397.db2.gz DLGGITQRNCQJLF-FNORWQNLSA-N -1 3 276.325 1.359 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)c2ccc(F)c(F)c2F)n1 ZINC001300202321 967713000 /nfs/dbraw/zinc/71/30/00/967713000.db2.gz XOULBGSKHGUABY-UHFFFAOYSA-N -1 3 297.236 1.838 10 0 CDAEHM CC(C)(C)O[N-]C(=O)CC[C@@H]1CC[C@@H](C2OCCO2)O1 ZINC001353636250 968118048 /nfs/dbraw/zinc/11/80/48/968118048.db2.gz OCBSCYBPXRDRBX-QWRGUYRKSA-N -1 3 287.356 1.533 10 0 CDAEHM CCc1cccnc1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001452723556 968167906 /nfs/dbraw/zinc/16/79/06/968167906.db2.gz SXWJPLMFKXJTGW-UHFFFAOYSA-N -1 3 290.348 1.358 10 0 CDAEHM Cc1cnc(Cl)c(C(=O)NCc2nc(C)cc(=O)[n-]2)c1 ZINC001452740708 968171215 /nfs/dbraw/zinc/17/12/15/968171215.db2.gz VKDGLOOPONBFFT-UHFFFAOYSA-N -1 3 292.726 1.777 10 0 CDAEHM C[C@@H]1C[C@@H]1CC(=O)N(C)CCNC(=O)c1ccccc1[O-] ZINC001527934074 968763844 /nfs/dbraw/zinc/76/38/44/968763844.db2.gz YTKFCTWLEHQYNU-VXGBXAGGSA-N -1 3 290.363 1.627 10 0 CDAEHM CCCC[C@H](C)C(=O)NCC=CCNC(=O)c1cn[n-]n1 ZINC001533482274 969438007 /nfs/dbraw/zinc/43/80/07/969438007.db2.gz YIFRCAKNHUXDKZ-GZTOBOFZSA-N -1 3 293.371 1.033 10 0 CDAEHM O=C(NCCCNc1ccccc1)c1cnncc1[O-] ZINC001464900684 969830383 /nfs/dbraw/zinc/83/03/83/969830383.db2.gz OAWDWLUOIRODDN-UHFFFAOYSA-N -1 3 272.308 1.414 10 0 CDAEHM O=C(NCCNc1ccccc1)c1cc(F)cc2n[n-]nc21 ZINC001465392709 969869619 /nfs/dbraw/zinc/86/96/19/969869619.db2.gz MQVDVMGITOFZBE-UHFFFAOYSA-N -1 3 299.309 1.939 10 0 CDAEHM COc1ccc(C=O)cc1C(=O)Nc1ncccc1[O-] ZINC001466805337 970000328 /nfs/dbraw/zinc/00/03/28/970000328.db2.gz GTOXDFVKYQYDQZ-UHFFFAOYSA-N -1 3 272.260 1.861 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)c1ccc(C(F)F)o1 ZINC001361438393 970203039 /nfs/dbraw/zinc/20/30/39/970203039.db2.gz NATWPTFEBQOFNM-UHFFFAOYSA-N -1 3 285.206 1.979 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)c1ccc(C(F)F)o1 ZINC001361438393 970203048 /nfs/dbraw/zinc/20/30/48/970203048.db2.gz NATWPTFEBQOFNM-UHFFFAOYSA-N -1 3 285.206 1.979 10 0 CDAEHM COC(=O)c1cc([N-]C(=O)c2cc(OC)cnc2F)on1 ZINC001522599121 970509817 /nfs/dbraw/zinc/50/98/17/970509817.db2.gz VYUGUTMSRGKDPS-UHFFFAOYSA-N -1 3 295.226 1.256 10 0 CDAEHM C[C@@H](NC(=O)C(C)(C)F)c1nc(C(F)(F)F)n[n-]1 ZINC001472109941 970577330 /nfs/dbraw/zinc/57/73/30/970577330.db2.gz YYDHPPUKGWSYKY-SCSAIBSYSA-N -1 3 268.214 1.749 10 0 CDAEHM CO[C@@H](C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1)C(C)C ZINC001472111719 970577508 /nfs/dbraw/zinc/57/75/08/970577508.db2.gz SJLIHSXRBIJYKE-RNFRBKRXSA-N -1 3 294.277 1.672 10 0 CDAEHM C/C=C(\C)C(=O)N[C@H](CC)CNC(=O)c1ccccc1[O-] ZINC001498924364 974114112 /nfs/dbraw/zinc/11/41/12/974114112.db2.gz DRIUTSAKEFBHQD-KBVBDRTLSA-N -1 3 290.363 1.983 10 0 CDAEHM O=C(Nc1ncccc1[O-])[C@]1([C@@H]2CCCCO2)CCCO1 ZINC001650558698 1171181373 /nfs/dbraw/zinc/18/13/73/1171181373.db2.gz JLTBEDCNEYTTOJ-SWLSCSKDSA-N -1 3 292.335 1.844 10 0 CDAEHM COC(=O)/C=C\[C@@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC001653870251 1171570773 /nfs/dbraw/zinc/57/07/73/1171570773.db2.gz LRVASRHOVIZSTG-WAXIIBMWSA-N -1 3 283.711 1.893 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)C[C@@H](C)n2cccc2)[n-]1 ZINC000619448584 342548674 /nfs/dbraw/zinc/54/86/74/342548674.db2.gz XCTWPJWBGIRHRW-SNVBAGLBSA-N -1 3 290.323 1.978 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)C[C@@H](C)n2cccc2)c[n-]1 ZINC000619448584 342548675 /nfs/dbraw/zinc/54/86/75/342548675.db2.gz XCTWPJWBGIRHRW-SNVBAGLBSA-N -1 3 290.323 1.978 10 0 CDAEHM Cc1cn2c(n1)C[C@H](c1nc(-c3cc(=O)[n-]cn3)no1)CC2 ZINC000624647882 342005288 /nfs/dbraw/zinc/00/52/88/342005288.db2.gz DGRMGCYYUFXVRM-SECBINFHSA-N -1 3 298.306 1.467 10 0 CDAEHM CSCCCC[N-]S(=O)(=O)c1conc1C ZINC000601350222 342556163 /nfs/dbraw/zinc/55/61/63/342556163.db2.gz NYIZBUDIEYWEHL-UHFFFAOYSA-N -1 3 264.372 1.405 10 0 CDAEHM COC(=O)[C@H]([N-]S(=O)(=O)C1(C(C)C)CC1)C1CC1 ZINC000601361178 342556998 /nfs/dbraw/zinc/55/69/98/342556998.db2.gz DJVHDZYOIVLIMB-SNVBAGLBSA-N -1 3 275.370 1.046 10 0 CDAEHM CN(Cc1cc[nH]n1)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000533182041 282096912 /nfs/dbraw/zinc/09/69/12/282096912.db2.gz IUVCKRKXUSUFED-UHFFFAOYSA-N -1 3 277.353 1.135 10 0 CDAEHM Cc1cccc(C(=O)N2C[C@@H]3COC[C@@]3(C)C2)c1[O-] ZINC000618719653 349516584 /nfs/dbraw/zinc/51/65/84/349516584.db2.gz BYWIRAIBJKEFOI-IAQYHMDHSA-N -1 3 261.321 1.809 10 0 CDAEHM CCN1C(=O)CCc2cc(NC(=O)c3nc[n-]n3)ccc21 ZINC000274221774 365595140 /nfs/dbraw/zinc/59/51/40/365595140.db2.gz OUTXFVZMCCDNOU-UHFFFAOYSA-N -1 3 285.307 1.356 10 0 CDAEHM CCO[C@H](CS(=O)(=O)[N-]C[C@@]1(C)CCCO1)C1CC1 ZINC000625056574 342028744 /nfs/dbraw/zinc/02/87/44/342028744.db2.gz INUMCXKVUKAMCU-CHWSQXEVSA-N -1 3 291.413 1.290 10 0 CDAEHM COCC1([N-]S(=O)(=O)c2ccc(C)c(F)c2F)CC1 ZINC000625068756 342029238 /nfs/dbraw/zinc/02/92/38/342029238.db2.gz ACFPWDVRAVPXED-UHFFFAOYSA-N -1 3 291.319 1.731 10 0 CDAEHM CC1(C)CCCN[C@@H]1C(=O)NCCCCCC(=O)[O-] ZINC000232808656 342033719 /nfs/dbraw/zinc/03/37/19/342033719.db2.gz IOTORGLBMZGXIR-GFCCVEGCSA-N -1 3 270.373 1.526 10 0 CDAEHM O=C1CN(Cc2nc(CCC3CCCCC3)no2)C(=O)[N-]1 ZINC000273854997 192336989 /nfs/dbraw/zinc/33/69/89/192336989.db2.gz CXUZJHPQXHSIKM-UHFFFAOYSA-N -1 3 292.339 1.634 10 0 CDAEHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccsc2)o1 ZINC000625238487 342045396 /nfs/dbraw/zinc/04/53/96/342045396.db2.gz YVCQOYVLVHINER-UHFFFAOYSA-N -1 3 272.351 1.831 10 0 CDAEHM CCc1ncc(C[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)o1 ZINC000625253271 342051508 /nfs/dbraw/zinc/05/15/08/342051508.db2.gz ZOIHCZBGYICWKJ-SNVBAGLBSA-N -1 3 288.369 1.224 10 0 CDAEHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625219923 342042941 /nfs/dbraw/zinc/04/29/41/342042941.db2.gz ZZPOGRGZTRJIKN-RKDXNWHRSA-N -1 3 293.335 1.975 10 0 CDAEHM Cc1nocc1S(=O)(=O)[N-][C@H](C(C)C)C1CC1 ZINC000632568681 361809457 /nfs/dbraw/zinc/80/94/57/361809457.db2.gz NMUQCEBMUJDLAN-LLVKDONJSA-N -1 3 258.343 1.696 10 0 CDAEHM O=C([O-])[C@H]1NCCc2c(Br)cccc21 ZINC000082786213 178292474 /nfs/dbraw/zinc/29/24/74/178292474.db2.gz HATFFCWLBSQLDX-VIFPVBQESA-N -1 3 256.099 1.721 10 0 CDAEHM Cc1cccc2c1C[C@@H]([N-]S(=O)(=O)c1ccco1)CO2 ZINC000625350906 342085143 /nfs/dbraw/zinc/08/51/43/342085143.db2.gz WDIMDUJDHPZEGG-LLVKDONJSA-N -1 3 293.344 1.870 10 0 CDAEHM C[C@@H](O)C1(NC(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000620065554 342143239 /nfs/dbraw/zinc/14/32/39/342143239.db2.gz VMSUYDWIEDSYOO-SNVBAGLBSA-N -1 3 275.348 1.914 10 0 CDAEHM CN1CCC[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000591870346 342648674 /nfs/dbraw/zinc/64/86/74/342648674.db2.gz NXVOWQAGBVVFJS-NSHDSACASA-N -1 3 285.347 1.352 10 0 CDAEHM COC(=O)c1ccc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)o1 ZINC000592423962 342689996 /nfs/dbraw/zinc/68/99/96/342689996.db2.gz QRGSXBIVKGNFBQ-KOLCDFICSA-N -1 3 281.308 1.609 10 0 CDAEHM COC(=O)c1cc(Cl)cc(NC(=O)C2(OC)CC2)c1[O-] ZINC000592799052 342729614 /nfs/dbraw/zinc/72/96/14/342729614.db2.gz MBIRWJIJWVZDEY-UHFFFAOYSA-N -1 3 299.710 1.950 10 0 CDAEHM CC[C@H](CNC(=O)c1ccc([O-])c(OC)c1)C(=O)OC ZINC000592855965 342738090 /nfs/dbraw/zinc/73/80/90/342738090.db2.gz VCRXCOVBGNNICY-SECBINFHSA-N -1 3 281.308 1.330 10 0 CDAEHM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]CC(=O)C1(C)CCCC1 ZINC000625549099 342184919 /nfs/dbraw/zinc/18/49/19/342184919.db2.gz KJPFJKGLRQLDEF-QWRGUYRKSA-N -1 3 289.397 1.233 10 0 CDAEHM COC(=O)[C@@H](CCF)NC(=O)c1cccc(OC)c1[O-] ZINC000593799778 342836268 /nfs/dbraw/zinc/83/62/68/342836268.db2.gz LQNREDLNFUMYNO-SECBINFHSA-N -1 3 285.271 1.032 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)c2c[nH]nc2C(C)C)[n-]1 ZINC000588719662 342220038 /nfs/dbraw/zinc/22/00/38/342220038.db2.gz YZXZFTBVXVZPRK-UHFFFAOYSA-N -1 3 291.311 1.685 10 0 CDAEHM CCc1cc(C)c(C(=O)Nc2[n-]cnc2C(=O)OC)o1 ZINC000594018920 342866804 /nfs/dbraw/zinc/86/68/04/342866804.db2.gz UXBSRXHLYBERNV-UHFFFAOYSA-N -1 3 277.280 1.912 10 0 CDAEHM CCc1cc(C)c(C(=O)Nc2nc[n-]c2C(=O)OC)o1 ZINC000594018920 342866806 /nfs/dbraw/zinc/86/68/06/342866806.db2.gz UXBSRXHLYBERNV-UHFFFAOYSA-N -1 3 277.280 1.912 10 0 CDAEHM COCc1nc(Cc2nc3cccnc3c(=O)[n-]2)cs1 ZINC000345185585 539081737 /nfs/dbraw/zinc/08/17/37/539081737.db2.gz DAGSBFLEXLPEPW-UHFFFAOYSA-N -1 3 288.332 1.924 10 0 CDAEHM COC[C@@H]1CCCN(C(=O)c2cc(F)c[n-]c2=O)CC1 ZINC000622096886 342235112 /nfs/dbraw/zinc/23/51/12/342235112.db2.gz FOKWTFKNVQUIFH-SNVBAGLBSA-N -1 3 282.315 1.815 10 0 CDAEHM Cn1cc(Br)c(=NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)[n-]1 ZINC000622887996 342266201 /nfs/dbraw/zinc/26/62/01/342266201.db2.gz PMMWPXOOGGRPCW-DJLDLDEBSA-N -1 3 298.184 1.979 10 0 CDAEHM CC(C)(C)n1nnc(C(=O)[N-]c2ncccc2Cl)n1 ZINC000622835509 342260371 /nfs/dbraw/zinc/26/03/71/342260371.db2.gz UIUSINNXUBVAOS-UHFFFAOYSA-N -1 3 280.719 1.729 10 0 CDAEHM C[C@@]1(C(N)=O)CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000279892352 539127038 /nfs/dbraw/zinc/12/70/38/539127038.db2.gz BZOIXQGJGKFVLP-QGZVFWFLSA-N -1 3 298.342 1.883 10 0 CDAEHM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)C1CCCCC1 ZINC000594865612 342965395 /nfs/dbraw/zinc/96/53/95/342965395.db2.gz MHWPYGCYBCAKHE-GFCCVEGCSA-N -1 3 295.376 1.530 10 0 CDAEHM Cc1nocc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000632589393 362065126 /nfs/dbraw/zinc/06/51/26/362065126.db2.gz MKPDBFCKPLHGBC-MXWKQRLJSA-N -1 3 270.354 1.698 10 0 CDAEHM CCN(Cc1cc(CO)ccc1F)[C@H](C)C(=O)[O-] ZINC000629490274 362105427 /nfs/dbraw/zinc/10/54/27/362105427.db2.gz RGZJJAUMGYOYRZ-SECBINFHSA-N -1 3 255.289 1.613 10 0 CDAEHM Cc1nnc(-c2csc(S(=O)(=O)[N-]C3CC3)c2)o1 ZINC000065098565 362122595 /nfs/dbraw/zinc/12/25/95/362122595.db2.gz PIFKSLZGIYJDNS-UHFFFAOYSA-N -1 3 285.350 1.547 10 0 CDAEHM CCOC(=O)c1csc(=NCC[C@H](COC)OC)[n-]1 ZINC000596328262 343303994 /nfs/dbraw/zinc/30/39/94/343303994.db2.gz KTIHDYAOXDYLAG-SECBINFHSA-N -1 3 288.369 1.205 10 0 CDAEHM CCOC(=O)c1cc(-c2ncc(CO)s2)n[n-]1 ZINC000596644156 343369665 /nfs/dbraw/zinc/36/96/65/343369665.db2.gz YDBNLQZLDWQBTC-UHFFFAOYSA-N -1 3 253.283 1.202 10 0 CDAEHM NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC000092599156 342418154 /nfs/dbraw/zinc/41/81/54/342418154.db2.gz STFIVZOMUWDFPB-PWSUYJOCSA-N -1 3 276.336 1.556 10 0 CDAEHM CCC(=O)N[C@H]1CCCN(C(=O)c2c([O-])cccc2O)C1 ZINC000092120500 342411031 /nfs/dbraw/zinc/41/10/31/342411031.db2.gz JRKCYTCYPXLXLU-JTQLQIEISA-N -1 3 292.335 1.229 10 0 CDAEHM CCOC(=O)C[C@@H](O)C(=O)Nc1ccc([O-])cc1Cl ZINC000597856127 343647027 /nfs/dbraw/zinc/64/70/27/343647027.db2.gz CWVZBICXILWYNO-SNVBAGLBSA-N -1 3 287.699 1.298 10 0 CDAEHM CCOC(=O)C12CC(C1)CN2C(=O)c1ccc(C)cc1[O-] ZINC000598441738 343798397 /nfs/dbraw/zinc/79/83/97/343798397.db2.gz AQIXCZJNVSGUOW-UHFFFAOYSA-N -1 3 289.331 1.868 10 0 CDAEHM CCOC(=O)c1coc(=NC[C@H]2CCN2C2CCCC2)[n-]1 ZINC000599165271 343972881 /nfs/dbraw/zinc/97/28/81/343972881.db2.gz PVLSKBDMICAAQZ-GFCCVEGCSA-N -1 3 293.367 1.702 10 0 CDAEHM CO[C@H]1C[C@H](CC(=O)[O-])N(Cc2cccc(C(C)=O)c2)C1 ZINC000571338173 362412453 /nfs/dbraw/zinc/41/24/53/362412453.db2.gz ZBUVQQILTHIXCZ-CABCVRRESA-N -1 3 291.347 1.953 10 0 CDAEHM C[C@@]12COC[C@]1(C)CN(C(=O)c1ccc(O)cc1[O-])C2 ZINC000618029168 347077881 /nfs/dbraw/zinc/07/78/81/347077881.db2.gz ZCKHGLXCYLUBAN-GASCZTMLSA-N -1 3 277.320 1.596 10 0 CDAEHM Cc1ccc(C(=O)C(=O)[N-]c2nnc(C3CC3)n2C)cc1 ZINC000617290700 345130196 /nfs/dbraw/zinc/13/01/96/345130196.db2.gz YIPGBMWABZXITE-UHFFFAOYSA-N -1 3 284.319 1.822 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-]CCCC1CC1 ZINC000128989714 345248083 /nfs/dbraw/zinc/24/80/83/345248083.db2.gz KWJHNRNSNZENJG-UHFFFAOYSA-N -1 3 258.343 1.760 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)c1 ZINC000617430984 345532964 /nfs/dbraw/zinc/53/29/64/345532964.db2.gz SVFLGEUBMHPPJO-LDYMZIIASA-N -1 3 288.307 1.428 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000626484838 346166040 /nfs/dbraw/zinc/16/60/40/346166040.db2.gz QRTZUTNMXJYGJS-OAHLLOKOSA-N -1 3 277.320 1.332 10 0 CDAEHM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)NCCN1CCCCC1 ZINC000085339228 179024797 /nfs/dbraw/zinc/02/47/97/179024797.db2.gz LKMLWKAVCCWRJX-NEPJUHHUSA-N -1 3 283.372 1.025 10 0 CDAEHM NC1(C(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])CCCC1 ZINC000085324810 179018074 /nfs/dbraw/zinc/01/80/74/179018074.db2.gz DELBQVDMDYDVJJ-VHSXEESVSA-N -1 3 254.330 1.018 10 0 CDAEHM CN(CCN1CCCC1)C(=O)N[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000085342609 179027363 /nfs/dbraw/zinc/02/73/63/179027363.db2.gz YXEIENBGUURIRU-CHWSQXEVSA-N -1 3 297.399 1.367 10 0 CDAEHM Cc1c(CC[S@@](C)=O)cccc1-c1cnnc([O-])c1O ZINC000584630564 346504630 /nfs/dbraw/zinc/50/46/30/346504630.db2.gz VHBTWOIWWNIPNJ-HXUWFJFHSA-N -1 3 292.360 1.784 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl ZINC000085810800 179177836 /nfs/dbraw/zinc/17/78/36/179177836.db2.gz DNPILNBJVDMYLI-ZETCQYMHSA-N -1 3 277.107 1.734 10 0 CDAEHM C[C@H](c1ccccc1)N(C)C(=O)[C@@H](N)CCC(=O)[O-] ZINC000085838833 179185064 /nfs/dbraw/zinc/18/50/64/179185064.db2.gz XFXGLHHNJBEGSG-PWSUYJOCSA-N -1 3 264.325 1.398 10 0 CDAEHM N[C@H](CCC(=O)[O-])C(=O)N1CCC2(CCCC2)CC1 ZINC000085844933 179185816 /nfs/dbraw/zinc/18/58/16/179185816.db2.gz RYTXKLDNSFAORK-LLVKDONJSA-N -1 3 268.357 1.361 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085814508 179179112 /nfs/dbraw/zinc/17/91/12/179179112.db2.gz MTYYECQARQUJCA-BIIVOSGPSA-N -1 3 282.262 1.026 10 0 CDAEHM CN(C(=O)[C@H](N)CC(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000085815448 179179198 /nfs/dbraw/zinc/17/91/98/179179198.db2.gz KFNDYBFRSVLSRJ-CHWSQXEVSA-N -1 3 276.336 1.324 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)Nc1ccc(Cl)c2cccnc12 ZINC000085815023 179179505 /nfs/dbraw/zinc/17/95/05/179179505.db2.gz RIAUXFKOLZGCBH-VIFPVBQESA-N -1 3 293.710 1.629 10 0 CDAEHM CCN(C(=O)[C@H](N)CC(=O)[O-])c1cccc(C)c1 ZINC000085816955 179180339 /nfs/dbraw/zinc/18/03/39/179180339.db2.gz AYAWKJZEWBULIY-LLVKDONJSA-N -1 3 250.298 1.150 10 0 CDAEHM C[C@@H](c1cccs1)N(C)C(=O)[C@H](N)CC(=O)[O-] ZINC000085816490 179180348 /nfs/dbraw/zinc/18/03/48/179180348.db2.gz KUGHVRREFWLOHQ-JGVFFNPUSA-N -1 3 256.327 1.070 10 0 CDAEHM C[C@@H](CCNC(=O)[C@H](N)CC(=O)[O-])c1ccccc1 ZINC000085817990 179180855 /nfs/dbraw/zinc/18/08/55/179180855.db2.gz CKVVCNDTKDTVNC-CMPLNLGQSA-N -1 3 264.325 1.098 10 0 CDAEHM O=C(NC[C@@H]1CCCC[C@@H]1O)c1ccc(O)cc1[O-] ZINC000085976135 179208054 /nfs/dbraw/zinc/20/80/54/179208054.db2.gz SKUCVHWUTCMQGU-CABZTGNLSA-N -1 3 265.309 1.379 10 0 CDAEHM O=C([O-])CN1CCCN(C/C(Cl)=C/Cl)CC1 ZINC000086000715 179214311 /nfs/dbraw/zinc/21/43/11/179214311.db2.gz GFKFBNOLPZXKGJ-TWGQIWQCSA-N -1 3 267.156 1.398 10 0 CDAEHM Cc1ncc(NC(=O)c2cc(=O)[n-]cn2)c(C2CC2)n1 ZINC000626846086 347385693 /nfs/dbraw/zinc/38/56/93/347385693.db2.gz JBBAXYBPPQEGSV-UHFFFAOYSA-N -1 3 271.280 1.410 10 0 CDAEHM CC(C)(C)n1nnc(C(=O)Nc2cccc([O-])c2F)n1 ZINC000613109684 347396201 /nfs/dbraw/zinc/39/62/01/347396201.db2.gz FHDTVNKYPRWGAG-UHFFFAOYSA-N -1 3 279.275 1.525 10 0 CDAEHM COc1nnc(NC(=O)c2cccc3c2O[C@H](C)C3)[n-]1 ZINC000450546728 362832652 /nfs/dbraw/zinc/83/26/52/362832652.db2.gz KLFOZNLLJBDDQE-SSDOTTSWSA-N -1 3 274.280 1.389 10 0 CDAEHM COc1nc(NC(=O)c2cccc3c2O[C@H](C)C3)n[n-]1 ZINC000450546728 362832661 /nfs/dbraw/zinc/83/26/61/362832661.db2.gz KLFOZNLLJBDDQE-SSDOTTSWSA-N -1 3 274.280 1.389 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cccc3c2O[C@H](C)C3)n1 ZINC000450546728 362832668 /nfs/dbraw/zinc/83/26/68/362832668.db2.gz KLFOZNLLJBDDQE-SSDOTTSWSA-N -1 3 274.280 1.389 10 0 CDAEHM COc1nnc(NC(=O)Cc2cc(C)cc(C)c2)[n-]1 ZINC000613196541 347462078 /nfs/dbraw/zinc/46/20/78/347462078.db2.gz RQHDLXMKYDMSNW-UHFFFAOYSA-N -1 3 260.297 1.611 10 0 CDAEHM COc1nc(NC(=O)Cc2cc(C)cc(C)c2)n[n-]1 ZINC000613196541 347462081 /nfs/dbraw/zinc/46/20/81/347462081.db2.gz RQHDLXMKYDMSNW-UHFFFAOYSA-N -1 3 260.297 1.611 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2cc(C)cc(C)c2)n1 ZINC000613196541 347462083 /nfs/dbraw/zinc/46/20/83/347462083.db2.gz RQHDLXMKYDMSNW-UHFFFAOYSA-N -1 3 260.297 1.611 10 0 CDAEHM COc1nc(NC(=O)[C@@H](OC)c2cccc(OC)c2)n[n-]1 ZINC000613196377 347462369 /nfs/dbraw/zinc/46/23/69/347462369.db2.gz QYUHCBCIIJHDKJ-JTQLQIEISA-N -1 3 292.295 1.148 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](OC)c2cccc(OC)c2)[n-]1 ZINC000613196377 347462372 /nfs/dbraw/zinc/46/23/72/347462372.db2.gz QYUHCBCIIJHDKJ-JTQLQIEISA-N -1 3 292.295 1.148 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](OC)c2cccc(OC)c2)n1 ZINC000613196377 347462374 /nfs/dbraw/zinc/46/23/74/347462374.db2.gz QYUHCBCIIJHDKJ-JTQLQIEISA-N -1 3 292.295 1.148 10 0 CDAEHM COc1ccc(NC(=O)COCc2nccn2C)c([O-])c1 ZINC000613833262 347919010 /nfs/dbraw/zinc/91/90/10/347919010.db2.gz YYGWNMWUEGHAOP-UHFFFAOYSA-N -1 3 291.307 1.290 10 0 CDAEHM CO[C@@H]1CC[C@H](C(=O)Nc2nc(C)ccc2[O-])C1 ZINC000614165209 348006889 /nfs/dbraw/zinc/00/68/89/348006889.db2.gz VTPZRFWSBOIAGQ-VHSXEESVSA-N -1 3 250.298 1.849 10 0 CDAEHM Cc1ccoc1CC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000614427248 348109543 /nfs/dbraw/zinc/10/95/43/348109543.db2.gz PVDIQHYOSIMCDE-JTQLQIEISA-N -1 3 289.339 1.035 10 0 CDAEHM CN1C[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])NC1=O ZINC000614487508 348124805 /nfs/dbraw/zinc/12/48/05/348124805.db2.gz BBVIHUDTPVSJKX-LLVKDONJSA-N -1 3 291.351 1.652 10 0 CDAEHM O=C(N[C@H]1C[C@@H](O)C12CCC2)c1cc(F)cc2nn[n-]c21 ZINC000619076462 348176566 /nfs/dbraw/zinc/17/65/66/348176566.db2.gz WRYPLDAEJGBLOE-WDEREUQCSA-N -1 3 290.298 1.130 10 0 CDAEHM O=C(N[C@H]1C[C@@H](O)C12CCC2)c1cc(F)cc2[n-]nnc21 ZINC000619076462 348176569 /nfs/dbraw/zinc/17/65/69/348176569.db2.gz WRYPLDAEJGBLOE-WDEREUQCSA-N -1 3 290.298 1.130 10 0 CDAEHM O=C(N[C@H]1C[C@@H](O)C12CCC2)c1cc(F)cc2n[n-]nc21 ZINC000619076462 348176575 /nfs/dbraw/zinc/17/65/75/348176575.db2.gz WRYPLDAEJGBLOE-WDEREUQCSA-N -1 3 290.298 1.130 10 0 CDAEHM CC(C)(CNC(=O)NCc1ncccc1[O-])OCC1CC1 ZINC000413708756 362857880 /nfs/dbraw/zinc/85/78/80/362857880.db2.gz DEYKFPNTSRRTJF-UHFFFAOYSA-N -1 3 293.367 1.792 10 0 CDAEHM CC(C)[C@H]1C[C@H](CN=c2[n-]c(C(N)=O)cs2)CCO1 ZINC000450737873 362879957 /nfs/dbraw/zinc/87/99/57/362879957.db2.gz MLXPRGWPIDDZPR-MWLCHTKSSA-N -1 3 283.397 1.527 10 0 CDAEHM C[C@@H]1CCN(C(=O)c2cccc3[n-]nnc32)C[C@H](C)O1 ZINC000619118791 348365344 /nfs/dbraw/zinc/36/53/44/348365344.db2.gz WIQBZCCGEVYUPQ-ZJUUUORDSA-N -1 3 274.324 1.597 10 0 CDAEHM C[C@@H]1CCN(C(=O)c2cccc3nn[n-]c32)C[C@H](C)O1 ZINC000619118791 348365346 /nfs/dbraw/zinc/36/53/46/348365346.db2.gz WIQBZCCGEVYUPQ-ZJUUUORDSA-N -1 3 274.324 1.597 10 0 CDAEHM C[C@@H]1CCN(C(=O)c2cccc3n[n-]nc32)C[C@H](C)O1 ZINC000619118791 348365349 /nfs/dbraw/zinc/36/53/49/348365349.db2.gz WIQBZCCGEVYUPQ-ZJUUUORDSA-N -1 3 274.324 1.597 10 0 CDAEHM CCc1nnc(CSCc2nc(CC)cc(=O)[n-]2)n1C ZINC000091036777 180090871 /nfs/dbraw/zinc/09/08/71/180090871.db2.gz MGEDDVMHRFERRC-UHFFFAOYSA-N -1 3 293.396 1.457 10 0 CDAEHM Cc1ccc(N(C)C(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1Cl ZINC000091054865 180092477 /nfs/dbraw/zinc/09/24/77/180092477.db2.gz FTSYNBFNAOTERS-JTQLQIEISA-N -1 3 295.726 1.209 10 0 CDAEHM COc1cc(=NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)[n-]n1C ZINC000556246040 290260508 /nfs/dbraw/zinc/26/05/08/290260508.db2.gz VVWRWTJTFDLXAY-OUAUKWLOSA-N -1 3 265.357 1.861 10 0 CDAEHM Cc1cccc(C(=O)N2CCC[C@H](n3cncn3)C2)c1[O-] ZINC000105884605 186083613 /nfs/dbraw/zinc/08/36/13/186083613.db2.gz CACUCIQSUOZVKQ-LBPRGKRZSA-N -1 3 286.335 1.769 10 0 CDAEHM CCO[C@@H]1C[C@H](NC(=O)c2cccc([O-])c2)[C@H]1OC ZINC000275267242 365981556 /nfs/dbraw/zinc/98/15/56/365981556.db2.gz KWVIVYWANQHHKI-YNEHKIRRSA-N -1 3 265.309 1.314 10 0 CDAEHM CCc1cc(C(=O)N(CC)Cc2cn(C)nn2)ccc1[O-] ZINC000487024357 365995334 /nfs/dbraw/zinc/99/53/34/365995334.db2.gz AQDXYVMXODHXPF-UHFFFAOYSA-N -1 3 288.351 1.745 10 0 CDAEHM CO[C@H](C(=O)N=c1cc(-c2ccncc2)[n-][nH]1)C1CCC1 ZINC000621811608 350788704 /nfs/dbraw/zinc/78/87/04/350788704.db2.gz YMKIYCIHGMPIFL-AWEZNQCLSA-N -1 3 286.335 1.647 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)n[n-]1 ZINC000621925745 350862861 /nfs/dbraw/zinc/86/28/61/350862861.db2.gz LQCUSNHEKSJXIG-MYJAWHEDSA-N -1 3 271.324 1.217 10 0 CDAEHM O=C(c1cc(F)c[n-]c1=O)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000621927754 350865016 /nfs/dbraw/zinc/86/50/16/350865016.db2.gz CGZOFLPBQHKANL-GHMZBOCLSA-N -1 3 294.326 1.815 10 0 CDAEHM C[C@@H]1COCC[C@@H]1NC(=O)c1cc(F)c[n-]c1=O ZINC000621974139 350904545 /nfs/dbraw/zinc/90/45/45/350904545.db2.gz LVIGGKIAEWVCDE-XCBNKYQSSA-N -1 3 254.261 1.081 10 0 CDAEHM CC[C@@H](NC(=O)c1cc(F)c[n-]c1=O)[C@H](O)C(F)F ZINC000622076131 350973494 /nfs/dbraw/zinc/97/34/94/350973494.db2.gz UQTZXKCFDQHARG-SFYZADRCSA-N -1 3 278.230 1.061 10 0 CDAEHM O=C(c1ccccc1[O-])N1CC[C@H](O)CC12CCC2 ZINC000622114308 351011341 /nfs/dbraw/zinc/01/13/41/351011341.db2.gz OYHSNTSJEZRZPG-NSHDSACASA-N -1 3 261.321 1.912 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1ccnc(OC(F)F)c1 ZINC000622570468 351215779 /nfs/dbraw/zinc/21/57/79/351215779.db2.gz FZAVTTZTVSTGOH-UHFFFAOYSA-N -1 3 295.245 1.714 10 0 CDAEHM O=S(=O)([N-][C@H]1CCCC[C@H]1O)c1ccc(F)c(F)c1 ZINC000052005337 363119343 /nfs/dbraw/zinc/11/93/43/363119343.db2.gz MJBSZUWOPJXVKF-NWDGAFQWSA-N -1 3 291.319 1.547 10 0 CDAEHM C[C@H](C(=O)Nc1nnc(SCCO)[n-]1)c1cccnc1 ZINC000155292000 188197118 /nfs/dbraw/zinc/19/71/18/188197118.db2.gz VVEBKVZDEYBHEI-QMMMGPOBSA-N -1 3 293.352 1.026 10 0 CDAEHM C[C@H](C(=O)Nc1nc(SCCO)n[n-]1)c1cccnc1 ZINC000155292000 188197119 /nfs/dbraw/zinc/19/71/19/188197119.db2.gz VVEBKVZDEYBHEI-QMMMGPOBSA-N -1 3 293.352 1.026 10 0 CDAEHM C[C@H](C(=O)Nc1n[n-]c(SCCO)n1)c1cccnc1 ZINC000155292000 188197120 /nfs/dbraw/zinc/19/71/20/188197120.db2.gz VVEBKVZDEYBHEI-QMMMGPOBSA-N -1 3 293.352 1.026 10 0 CDAEHM CC[C@@H](O)CCNC(=O)c1cccc(OC)c1[O-] ZINC000157942241 188348137 /nfs/dbraw/zinc/34/81/37/188348137.db2.gz APQRZLXTTOWEEW-SECBINFHSA-N -1 3 253.298 1.292 10 0 CDAEHM CCCCC[C@H]1CCCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000489282462 366115967 /nfs/dbraw/zinc/11/59/67/366115967.db2.gz CPIAKCDAJMLNAK-NSHDSACASA-N -1 3 281.356 1.110 10 0 CDAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2F)[C@@H](C)O1 ZINC000632648003 363287309 /nfs/dbraw/zinc/28/73/09/363287309.db2.gz JUUFDOPRUCTQLC-XLDPMVHQSA-N -1 3 291.319 1.809 10 0 CDAEHM CO[N-]C(=O)c1cc(Br)c[nH]c1=S ZINC000306878898 363353115 /nfs/dbraw/zinc/35/31/15/363353115.db2.gz JCUZVBLFSLYPEF-UHFFFAOYSA-N -1 3 263.116 1.798 10 0 CDAEHM COc1ccc(C(=O)N2CCC(=O)[C@@H](C)C2)c([O-])c1 ZINC000168821011 188653009 /nfs/dbraw/zinc/65/30/09/188653009.db2.gz ZBFRYSBERWTFPJ-VIFPVBQESA-N -1 3 263.293 1.452 10 0 CDAEHM O=c1[nH]cc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)s1 ZINC000632109706 356116685 /nfs/dbraw/zinc/11/66/85/356116685.db2.gz LPTYCIBEELYYAA-YFKPBYRVSA-N -1 3 284.309 1.315 10 0 CDAEHM O=C(c1c([O-])cccc1F)N1CCN2CCC1CC2 ZINC000336372108 356156483 /nfs/dbraw/zinc/15/64/83/356156483.db2.gz BOOUALLJJZOAKS-UHFFFAOYSA-N -1 3 264.300 1.452 10 0 CDAEHM CC(C)(C)OC(=O)c1nn[n-]c1[C@H]1C[C@]12CCOC2 ZINC000725266258 538456285 /nfs/dbraw/zinc/45/62/85/538456285.db2.gz BUYIYJQTULQXGS-OQPBUACISA-N -1 3 265.313 1.654 10 0 CDAEHM CC(C)(C)OC(=O)c1[n-]nnc1[C@H]1C[C@]12CCOC2 ZINC000725266258 538456286 /nfs/dbraw/zinc/45/62/86/538456286.db2.gz BUYIYJQTULQXGS-OQPBUACISA-N -1 3 265.313 1.654 10 0 CDAEHM CC(C)(C)OC(=O)c1n[n-]nc1[C@H]1C[C@]12CCOC2 ZINC000725266258 538456288 /nfs/dbraw/zinc/45/62/88/538456288.db2.gz BUYIYJQTULQXGS-OQPBUACISA-N -1 3 265.313 1.654 10 0 CDAEHM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2cscn2)C1(C)C ZINC000565773408 357370723 /nfs/dbraw/zinc/37/07/23/357370723.db2.gz QDBQIGLTZWUKFY-KCJUWKMLSA-N -1 3 290.410 1.625 10 0 CDAEHM COc1cccc(C(=O)N[C@@H](C)[C@H](C)OC)c1[O-] ZINC000188352064 357883429 /nfs/dbraw/zinc/88/34/29/357883429.db2.gz UQEBKCCXVIRWIA-IUCAKERBSA-N -1 3 253.298 1.554 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CC[C@H](C)[C@H](OC)C2)n1 ZINC000189290470 357993036 /nfs/dbraw/zinc/99/30/36/357993036.db2.gz LYGHDBYJUHSPSS-CMPLNLGQSA-N -1 3 265.357 1.601 10 0 CDAEHM COc1nnc(NC(=O)[C@H](OC(C)C)c2ccccc2)[n-]1 ZINC000294644819 199120405 /nfs/dbraw/zinc/12/04/05/199120405.db2.gz RTFYFLPWQFQHAU-LLVKDONJSA-N -1 3 290.323 1.918 10 0 CDAEHM COc1nc(NC(=O)[C@H](OC(C)C)c2ccccc2)n[n-]1 ZINC000294644819 199120407 /nfs/dbraw/zinc/12/04/07/199120407.db2.gz RTFYFLPWQFQHAU-LLVKDONJSA-N -1 3 290.323 1.918 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H](OC(C)C)c2ccccc2)n1 ZINC000294644819 199120409 /nfs/dbraw/zinc/12/04/09/199120409.db2.gz RTFYFLPWQFQHAU-LLVKDONJSA-N -1 3 290.323 1.918 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](OC(C)C)c2ccccc2)[n-]1 ZINC000294644822 199120867 /nfs/dbraw/zinc/12/08/67/199120867.db2.gz RTFYFLPWQFQHAU-NSHDSACASA-N -1 3 290.323 1.918 10 0 CDAEHM COc1nc(NC(=O)[C@@H](OC(C)C)c2ccccc2)n[n-]1 ZINC000294644822 199120868 /nfs/dbraw/zinc/12/08/68/199120868.db2.gz RTFYFLPWQFQHAU-NSHDSACASA-N -1 3 290.323 1.918 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](OC(C)C)c2ccccc2)n1 ZINC000294644822 199120870 /nfs/dbraw/zinc/12/08/70/199120870.db2.gz RTFYFLPWQFQHAU-NSHDSACASA-N -1 3 290.323 1.918 10 0 CDAEHM CCOC(=O)c1cc2c(Br)[n-]cnc-2n1 ZINC000083428788 358206200 /nfs/dbraw/zinc/20/62/00/358206200.db2.gz SNJSBIGWIJRRHV-UHFFFAOYSA-N -1 3 270.086 1.897 10 0 CDAEHM CCOC(=O)c1cc2c([n-]1)ncnc2Br ZINC000083428788 358206203 /nfs/dbraw/zinc/20/62/03/358206203.db2.gz SNJSBIGWIJRRHV-UHFFFAOYSA-N -1 3 270.086 1.897 10 0 CDAEHM CC1(C)[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H]1O ZINC000129947724 358292719 /nfs/dbraw/zinc/29/27/19/358292719.db2.gz MQJAFPSTWVIWBA-KGLIPLIRSA-N -1 3 286.331 1.417 10 0 CDAEHM COc1nnc(NC(=O)c2c(C)noc2C(C)C)[n-]1 ZINC000129370010 358284801 /nfs/dbraw/zinc/28/48/01/358284801.db2.gz JXJOTGBSNWWLIM-UHFFFAOYSA-N -1 3 265.273 1.485 10 0 CDAEHM COc1nc(NC(=O)c2c(C)noc2C(C)C)n[n-]1 ZINC000129370010 358284805 /nfs/dbraw/zinc/28/48/05/358284805.db2.gz JXJOTGBSNWWLIM-UHFFFAOYSA-N -1 3 265.273 1.485 10 0 CDAEHM COc1n[n-]c(NC(=O)c2c(C)noc2C(C)C)n1 ZINC000129370010 358284809 /nfs/dbraw/zinc/28/48/09/358284809.db2.gz JXJOTGBSNWWLIM-UHFFFAOYSA-N -1 3 265.273 1.485 10 0 CDAEHM COc1ccnc(C[N-]S(=O)(=O)Cc2cc(C)on2)c1 ZINC000660005847 412677628 /nfs/dbraw/zinc/67/76/28/412677628.db2.gz PHSKUZQFBKYDHV-UHFFFAOYSA-N -1 3 297.336 1.006 10 0 CDAEHM COc1nn(C)cc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000356647148 366460373 /nfs/dbraw/zinc/46/03/73/366460373.db2.gz RBDIAZGOAXIOKK-UHFFFAOYSA-N -1 3 287.279 1.664 10 0 CDAEHM COc1nn(C)cc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000356647148 366460378 /nfs/dbraw/zinc/46/03/78/366460378.db2.gz RBDIAZGOAXIOKK-UHFFFAOYSA-N -1 3 287.279 1.664 10 0 CDAEHM O=C(N[C@H]1COc2ccc(F)cc2C1)c1csc(=O)[n-]1 ZINC000336496891 363645345 /nfs/dbraw/zinc/64/53/45/363645345.db2.gz SHSUNZABYTZRGE-SECBINFHSA-N -1 3 294.307 1.721 10 0 CDAEHM COc1cc(C[N-]S(=O)(=O)Cc2ccccc2C)on1 ZINC000660010251 412687961 /nfs/dbraw/zinc/68/79/61/412687961.db2.gz ISKATCOCXMBEKD-UHFFFAOYSA-N -1 3 296.348 1.611 10 0 CDAEHM CC1(C)COC[C@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000560466640 359635136 /nfs/dbraw/zinc/63/51/36/359635136.db2.gz IZIXRQJNLVTOBW-SNVBAGLBSA-N -1 3 260.297 1.113 10 0 CDAEHM CC1(C)COC[C@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000560466640 359635141 /nfs/dbraw/zinc/63/51/41/359635141.db2.gz IZIXRQJNLVTOBW-SNVBAGLBSA-N -1 3 260.297 1.113 10 0 CDAEHM CC1(C)COC[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000560466640 359635146 /nfs/dbraw/zinc/63/51/46/359635146.db2.gz IZIXRQJNLVTOBW-SNVBAGLBSA-N -1 3 260.297 1.113 10 0 CDAEHM Cc1ccc([O-])c(CN2CC[S@](=O)C[C@H](C)C2)n1 ZINC000277607638 366545146 /nfs/dbraw/zinc/54/51/46/366545146.db2.gz WDXTXJLOLHPEON-MGNBDDOMSA-N -1 3 268.382 1.296 10 0 CDAEHM CCC[C@H](C)[C@@H](CO)NC(=O)c1cccc(OC)c1[O-] ZINC000568081216 293948194 /nfs/dbraw/zinc/94/81/94/293948194.db2.gz VVEGXRYBNICACN-CMPLNLGQSA-N -1 3 281.352 1.928 10 0 CDAEHM CC(C)(CNC(=O)c1cc(=O)[n-]cn1)CC(F)(F)F ZINC000628173436 360059636 /nfs/dbraw/zinc/05/96/36/360059636.db2.gz VYEYFLSWHOPCFS-UHFFFAOYSA-N -1 3 277.246 1.891 10 0 CDAEHM COCc1ccccc1CS(=O)(=O)[N-]C1(C(C)=O)CC1 ZINC000632449069 360085278 /nfs/dbraw/zinc/08/52/78/360085278.db2.gz PEBWCGAKTXSXLT-UHFFFAOYSA-N -1 3 297.376 1.374 10 0 CDAEHM O=C(Nc1cnccc1CO)c1cc(F)cc2[n-]nnc21 ZINC000337451820 360141899 /nfs/dbraw/zinc/14/18/99/360141899.db2.gz IHECHJOHNNPMET-UHFFFAOYSA-N -1 3 287.254 1.237 10 0 CDAEHM O=C(Nc1cnccc1CO)c1cc(F)cc2nn[n-]c21 ZINC000337451820 360141903 /nfs/dbraw/zinc/14/19/03/360141903.db2.gz IHECHJOHNNPMET-UHFFFAOYSA-N -1 3 287.254 1.237 10 0 CDAEHM O=C(Nc1cnccc1CO)c1cc(F)cc2n[n-]nc21 ZINC000337451820 360141907 /nfs/dbraw/zinc/14/19/07/360141907.db2.gz IHECHJOHNNPMET-UHFFFAOYSA-N -1 3 287.254 1.237 10 0 CDAEHM CC(C)[C@@H]1C[C@@H]1C(=O)N=c1[n-]n(C)cc1Br ZINC000335392735 360146157 /nfs/dbraw/zinc/14/61/57/360146157.db2.gz LOIDYWDSWVDDTE-YUMQZZPRSA-N -1 3 286.173 1.835 10 0 CDAEHM C[C@H]1CCC[C@H](N(C)C(=O)C2CC3(C2)NC(=O)[N-]C3=O)C1 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250222202 /nfs/dbraw/zinc/22/22/02/250222202.db2.gz STKQQDWIWYQXBX-UHFFFAOYSA-N -1 3 254.403 1.980 10 0 CDAEHM C[C@@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1ccco1 ZINC000445718455 250226163 /nfs/dbraw/zinc/22/61/63/250226163.db2.gz RJNLJNRDNUCCCR-TXEJJXNPSA-N -1 3 286.397 1.821 10 0 CDAEHM CNC(=O)c1cnc(C=Cc2ccc(F)cc2C)[n-]c1=O ZINC000071796360 379640143 /nfs/dbraw/zinc/64/01/43/379640143.db2.gz IWABNCDFPCWJPQ-GQCTYLIASA-N -1 3 287.294 1.747 10 0 CDAEHM CCOC(=O)CC[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450293899 251212718 /nfs/dbraw/zinc/21/27/18/251212718.db2.gz YRSMLBWZMASNRG-SNVBAGLBSA-N -1 3 297.326 1.922 10 0 CDAEHM COC[C@](C)(O)CCN=c1[n-]c(C(F)(F)F)cs1 ZINC000450597596 251358683 /nfs/dbraw/zinc/35/86/83/251358683.db2.gz VTKWPTBFOOFAOX-SECBINFHSA-N -1 3 284.303 1.783 10 0 CDAEHM Cc1nn(C)cc1[C@H](C)NC(=O)NCc1ncccc1[O-] ZINC000471918234 252834662 /nfs/dbraw/zinc/83/46/62/252834662.db2.gz KJPYKVPFPJXTJG-VIFPVBQESA-N -1 3 289.339 1.390 10 0 CDAEHM CCc1nc(C)c(C[N-]S(=O)(=O)Cc2cc(C)on2)o1 ZINC000490609373 253042630 /nfs/dbraw/zinc/04/26/30/253042630.db2.gz UFOKLUJOEUFSGY-UHFFFAOYSA-N -1 3 299.352 1.461 10 0 CDAEHM Cc1cc([N-]S(=O)(=O)c2cccc(N(C)C)c2)ccn1 ZINC000493133390 253379850 /nfs/dbraw/zinc/37/98/50/253379850.db2.gz PFGMSMGNWANSRK-UHFFFAOYSA-N -1 3 291.376 1.679 10 0 CDAEHM COC(=O)CCCON=C([O-])Nc1cc2n(n1)CCCC2 ZINC000288678892 197142963 /nfs/dbraw/zinc/14/29/63/197142963.db2.gz BKGQJJOSIUMWMA-UHFFFAOYSA-N -1 3 296.327 1.226 10 0 CDAEHM COC(=O)CCCO[N-]C(=O)Nc1cc2n(n1)CCCC2 ZINC000288678892 197142965 /nfs/dbraw/zinc/14/29/65/197142965.db2.gz BKGQJJOSIUMWMA-UHFFFAOYSA-N -1 3 296.327 1.226 10 0 CDAEHM CCS(=O)(=O)[N-]Cc1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000656045140 413008270 /nfs/dbraw/zinc/00/82/70/413008270.db2.gz AMZYTGFDEZJTDW-BBBLOLIVSA-N -1 3 285.369 1.413 10 0 CDAEHM COc1nnc(NC(=O)CC(C)(C)C(F)(F)F)[n-]1 ZINC000280650714 533184388 /nfs/dbraw/zinc/18/43/88/533184388.db2.gz DLSIUCZFGFEAAO-UHFFFAOYSA-N -1 3 266.223 1.730 10 0 CDAEHM COc1nc(NC(=O)CC(C)(C)C(F)(F)F)n[n-]1 ZINC000280650714 533184396 /nfs/dbraw/zinc/18/43/96/533184396.db2.gz DLSIUCZFGFEAAO-UHFFFAOYSA-N -1 3 266.223 1.730 10 0 CDAEHM COc1n[n-]c(NC(=O)CC(C)(C)C(F)(F)F)n1 ZINC000280650714 533184398 /nfs/dbraw/zinc/18/43/98/533184398.db2.gz DLSIUCZFGFEAAO-UHFFFAOYSA-N -1 3 266.223 1.730 10 0 CDAEHM CN1C[C@H]2CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)[C@@H]2C1 ZINC000646925037 390295134 /nfs/dbraw/zinc/29/51/34/390295134.db2.gz MYPMLQFSKLPQPX-PRHODGIISA-N -1 3 298.745 1.961 10 0 CDAEHM CC(=O)c1cccc(NC(=O)[C@H](O)C2CCC2)c1[O-] ZINC000573969242 390670044 /nfs/dbraw/zinc/67/00/44/390670044.db2.gz MRHKJJNLUJUPLH-GFCCVEGCSA-N -1 3 263.293 1.694 10 0 CDAEHM COc1nnc(NC(=O)Cc2ccc(C)c(OC)c2)[n-]1 ZINC000158185265 390977999 /nfs/dbraw/zinc/97/79/99/390977999.db2.gz ZOGGUERBAGGLPF-UHFFFAOYSA-N -1 3 276.296 1.312 10 0 CDAEHM COc1nc(NC(=O)Cc2ccc(C)c(OC)c2)n[n-]1 ZINC000158185265 390978000 /nfs/dbraw/zinc/97/80/00/390978000.db2.gz ZOGGUERBAGGLPF-UHFFFAOYSA-N -1 3 276.296 1.312 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2ccc(C)c(OC)c2)n1 ZINC000158185265 390978001 /nfs/dbraw/zinc/97/80/01/390978001.db2.gz ZOGGUERBAGGLPF-UHFFFAOYSA-N -1 3 276.296 1.312 10 0 CDAEHM Cc1cc(CC[N-]S(=O)(=O)c2c[nH]cn2)cc(C)c1O ZINC000345374448 391191844 /nfs/dbraw/zinc/19/18/44/391191844.db2.gz YSCAWCYHWOUHPL-UHFFFAOYSA-N -1 3 295.364 1.253 10 0 CDAEHM CCn1nccc1S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC000345625779 391279600 /nfs/dbraw/zinc/27/96/00/391279600.db2.gz INDOOXGSLIZCAX-VIFPVBQESA-N -1 3 299.318 1.768 10 0 CDAEHM CC(C)c1noc(CCC[N-]S(=O)(=O)c2ccco2)n1 ZINC000188637766 391503669 /nfs/dbraw/zinc/50/36/69/391503669.db2.gz YXWIVGVRFUHYDM-UHFFFAOYSA-N -1 3 299.352 1.697 10 0 CDAEHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H]3CC[C@H]3O)c[n-]c12 ZINC000425045756 391553596 /nfs/dbraw/zinc/55/35/96/391553596.db2.gz KKTOQPSNUBANTE-VXGBXAGGSA-N -1 3 290.294 1.229 10 0 CDAEHM Cc1ccc(-c2nnc(NC(=O)c3cc(C)n(C)n3)[n-]2)o1 ZINC000359018371 391573207 /nfs/dbraw/zinc/57/32/07/391573207.db2.gz MSVNIDRXJLQBDL-UHFFFAOYSA-N -1 3 286.295 1.667 10 0 CDAEHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(C)n(C)n3)n2)o1 ZINC000359018371 391573209 /nfs/dbraw/zinc/57/32/09/391573209.db2.gz MSVNIDRXJLQBDL-UHFFFAOYSA-N -1 3 286.295 1.667 10 0 CDAEHM Cc1ccc(-c2nc(NC(=O)c3cc(C)n(C)n3)n[n-]2)o1 ZINC000359018371 391573212 /nfs/dbraw/zinc/57/32/12/391573212.db2.gz MSVNIDRXJLQBDL-UHFFFAOYSA-N -1 3 286.295 1.667 10 0 CDAEHM Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)co1 ZINC000186752139 391612382 /nfs/dbraw/zinc/61/23/82/391612382.db2.gz FRZXGFSQOWFCDR-UHFFFAOYSA-N -1 3 283.291 1.698 10 0 CDAEHM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)co1 ZINC000186752139 391612384 /nfs/dbraw/zinc/61/23/84/391612384.db2.gz FRZXGFSQOWFCDR-UHFFFAOYSA-N -1 3 283.291 1.698 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)NCc1ncccc1[O-] ZINC000528274755 391655936 /nfs/dbraw/zinc/65/59/36/391655936.db2.gz BSPGSUGZGYIRQG-XHSYRHOGSA-N -1 3 279.340 1.398 10 0 CDAEHM CC(C)C[C@@H](C)C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000519646177 391680205 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CC[C@H]1CN(CC)CCN1C(=O)c1ncc(C)cc1[O-] ZINC000456384795 392117303 /nfs/dbraw/zinc/11/73/03/392117303.db2.gz QIVCOFZOYSKTND-LBPRGKRZSA-N -1 3 277.368 1.652 10 0 CDAEHM CC(C)n1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)nn1 ZINC000432410548 392215265 /nfs/dbraw/zinc/21/52/65/392215265.db2.gz PVBQFQSSTNRONI-UHFFFAOYSA-N -1 3 289.221 1.248 10 0 CDAEHM CC(C)n1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)nn1 ZINC000432410548 392215268 /nfs/dbraw/zinc/21/52/68/392215268.db2.gz PVBQFQSSTNRONI-UHFFFAOYSA-N -1 3 289.221 1.248 10 0 CDAEHM CC[C@H]1C[C@H](NC(=O)c2c([O-])cccc2O)CCO1 ZINC000422111204 392230336 /nfs/dbraw/zinc/23/03/36/392230336.db2.gz GSJIESFWQODZHY-ZJUUUORDSA-N -1 3 265.309 1.785 10 0 CDAEHM Cc1ccc(C(=O)NCC(C)(C)[C@@]2(O)CCOC2)c([O-])c1 ZINC000649089716 392738303 /nfs/dbraw/zinc/73/83/03/392738303.db2.gz POZIORGQYCQLKW-MRXNPFEDSA-N -1 3 293.363 1.608 10 0 CDAEHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCO[C@H]2C[C@H]21 ZINC000646744837 392722765 /nfs/dbraw/zinc/72/27/65/392722765.db2.gz RBNSZEIEXKIMJG-HIFRSBDPSA-N -1 3 273.332 1.884 10 0 CDAEHM C[C@H]1C(=O)N(C)CN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000649159872 392886421 /nfs/dbraw/zinc/88/64/21/392886421.db2.gz XRRUPACPUQGDDE-JTQLQIEISA-N -1 3 288.347 1.531 10 0 CDAEHM COC(=O)[C@@H](CC(C)C)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000450905598 392996265 /nfs/dbraw/zinc/99/62/65/392996265.db2.gz OMTWXRBVDDHBHO-GHMZBOCLSA-N -1 3 297.355 1.542 10 0 CDAEHM COc1cc(=NC(=O)NC[C@H](C)CC(F)F)[n-]n1C ZINC000646364768 393021545 /nfs/dbraw/zinc/02/15/45/393021545.db2.gz LISRKJRVJWSTJI-SSDOTTSWSA-N -1 3 276.287 1.263 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000649231499 393126378 /nfs/dbraw/zinc/12/63/78/393126378.db2.gz XWLZYORUJHJDNZ-JTQLQIEISA-N -1 3 287.367 1.730 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc(=O)[nH]c1 ZINC000649233697 393133934 /nfs/dbraw/zinc/13/39/34/393133934.db2.gz AAVSLMWWNOIHIE-UHFFFAOYSA-N -1 3 260.297 1.616 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-]C[C@H]1CC1(C)C ZINC000451200775 393149629 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Cc1c(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cnn1C ZINC000119410939 147316506 /nfs/dbraw/zinc/31/65/06/147316506.db2.gz LGPCUBPIZPXQAK-UHFFFAOYSA-N -1 3 285.311 1.104 10 0 CDAEHM Cc1c(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cnn1C ZINC000119410939 147316510 /nfs/dbraw/zinc/31/65/10/147316510.db2.gz LGPCUBPIZPXQAK-UHFFFAOYSA-N -1 3 285.311 1.104 10 0 CDAEHM CC(=O)c1c[nH]c(C(=O)Nc2cc(-c3nccn3C)[n-]n2)c1 ZINC000119495868 147323779 /nfs/dbraw/zinc/32/37/79/147323779.db2.gz OJOYFCPJQXLKQB-UHFFFAOYSA-N -1 3 298.306 1.593 10 0 CDAEHM CC(=O)c1c[nH]c(C(=O)Nc2cc(-c3nccn3C)n[n-]2)c1 ZINC000119495868 147323780 /nfs/dbraw/zinc/32/37/80/147323780.db2.gz OJOYFCPJQXLKQB-UHFFFAOYSA-N -1 3 298.306 1.593 10 0 CDAEHM O=C(C=Cc1cncc([O-])c1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000179455983 148114074 /nfs/dbraw/zinc/11/40/74/148114074.db2.gz IDNPNMLWLRETDH-OOPCZODUSA-N -1 3 298.346 1.930 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N[C@](C)(CCO)COC)c1 ZINC000182862752 148271568 /nfs/dbraw/zinc/27/15/68/148271568.db2.gz UZPFEVDBLBNKON-OAHLLOKOSA-N -1 3 281.352 1.472 10 0 CDAEHM COc1nnc(NC(=O)c2cnc(C(C)C)s2)[n-]1 ZINC000182983718 148280445 /nfs/dbraw/zinc/28/04/45/148280445.db2.gz GYQGHFBGTFXUGR-UHFFFAOYSA-N -1 3 267.314 1.646 10 0 CDAEHM COc1nc(NC(=O)c2cnc(C(C)C)s2)n[n-]1 ZINC000182983718 148280447 /nfs/dbraw/zinc/28/04/47/148280447.db2.gz GYQGHFBGTFXUGR-UHFFFAOYSA-N -1 3 267.314 1.646 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cnc(C(C)C)s2)n1 ZINC000182983718 148280450 /nfs/dbraw/zinc/28/04/50/148280450.db2.gz GYQGHFBGTFXUGR-UHFFFAOYSA-N -1 3 267.314 1.646 10 0 CDAEHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H]1CCO ZINC000314177763 149252661 /nfs/dbraw/zinc/25/26/61/149252661.db2.gz MGKGFFOFKRGMMI-LLVKDONJSA-N -1 3 286.331 1.927 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1ncc(F)cc1F ZINC000352505848 155233720 /nfs/dbraw/zinc/23/37/20/155233720.db2.gz BUVUIGBATOCZCQ-UHFFFAOYSA-N -1 3 265.219 1.390 10 0 CDAEHM C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000352514812 155241206 /nfs/dbraw/zinc/24/12/06/155241206.db2.gz CRXWPGXLNAOONI-MWLCHTKSSA-N -1 3 262.309 1.409 10 0 CDAEHM Cc1cc(CS(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)no1 ZINC000334896448 150048304 /nfs/dbraw/zinc/04/83/04/150048304.db2.gz ALTUPGFCYDZSIZ-GHMZBOCLSA-N -1 3 276.333 1.683 10 0 CDAEHM C[C@H]1CC[C@H]1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000335888326 151083946 /nfs/dbraw/zinc/08/39/46/151083946.db2.gz CEWMZUONABSFEV-WRWORJQWSA-N -1 3 273.292 1.490 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CC[C@H]2C)c1 ZINC000336143780 151308159 /nfs/dbraw/zinc/30/81/59/151308159.db2.gz TUKZUWMLQMIMPK-PELKAZGASA-N -1 3 262.309 1.879 10 0 CDAEHM Cc1ccccc1-c1cc(=NC(=O)C2CC(C)(O)C2)[nH][n-]1 ZINC000336209152 151361512 /nfs/dbraw/zinc/36/15/12/151361512.db2.gz SISJVGHREJRZIK-UHFFFAOYSA-N -1 3 285.347 1.907 10 0 CDAEHM CN(Cc1nc(=O)c2sccc2[n-]1)[C@H]1CCC[C@@H]1O ZINC000352669221 155344551 /nfs/dbraw/zinc/34/45/51/155344551.db2.gz YCJLXKQBFAXDIS-UWVGGRQHSA-N -1 3 279.365 1.742 10 0 CDAEHM O=S(=O)([N-]CC[C@@H]1CCOC1)c1ccc(F)cc1F ZINC000343936265 152360272 /nfs/dbraw/zinc/36/02/72/152360272.db2.gz JJIQSUCTYSBERR-SECBINFHSA-N -1 3 291.319 1.670 10 0 CDAEHM COc1nnc(NC(=O)c2cnc3ccccc3c2C)[n-]1 ZINC000352688914 155365569 /nfs/dbraw/zinc/36/55/69/155365569.db2.gz XXYKWRZDUSCIKN-UHFFFAOYSA-N -1 3 283.291 1.922 10 0 CDAEHM COc1nc(NC(=O)c2cnc3ccccc3c2C)n[n-]1 ZINC000352688914 155365573 /nfs/dbraw/zinc/36/55/73/155365573.db2.gz XXYKWRZDUSCIKN-UHFFFAOYSA-N -1 3 283.291 1.922 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cnc3ccccc3c2C)n1 ZINC000352688914 155365580 /nfs/dbraw/zinc/36/55/80/155365580.db2.gz XXYKWRZDUSCIKN-UHFFFAOYSA-N -1 3 283.291 1.922 10 0 CDAEHM COC(=O)c1ccc(C(=O)Nc2ccc(O)c(OC)c2)[n-]1 ZINC000352724193 155392283 /nfs/dbraw/zinc/39/22/83/155392283.db2.gz LVJYMSDIHQQPAX-UHFFFAOYSA-N -1 3 290.275 1.768 10 0 CDAEHM C[C@@]1(CNC(=O)NCc2ncccc2[O-])CCCS1 ZINC000349567993 154141172 /nfs/dbraw/zinc/14/11/72/154141172.db2.gz KLBZXSFUVFFMQG-ZDUSSCGKSA-N -1 3 281.381 1.872 10 0 CDAEHM CC(C)[C@H]1C[C@H](NC(=O)NCc2ncccc2[O-])CCO1 ZINC000349787161 154218246 /nfs/dbraw/zinc/21/82/46/154218246.db2.gz ITDAKTQYYOUGAT-BXUZGUMPSA-N -1 3 293.367 1.790 10 0 CDAEHM CC1(C)CC[C@H](CNC(=O)NCc2ncccc2[O-])O1 ZINC000349906148 154265873 /nfs/dbraw/zinc/26/58/73/154265873.db2.gz GQLRZTJEJBBJOV-SNVBAGLBSA-N -1 3 279.340 1.544 10 0 CDAEHM CSC1(CNC(=O)NCc2ncccc2[O-])CCC1 ZINC000350083384 154322697 /nfs/dbraw/zinc/32/26/97/154322697.db2.gz QXERFPZSKYYODR-UHFFFAOYSA-N -1 3 281.381 1.872 10 0 CDAEHM Cc1cc(C(=O)NCC[C@H](O)C(F)(F)F)ccc1[O-] ZINC000354730361 156624265 /nfs/dbraw/zinc/62/42/65/156624265.db2.gz NPBKNILEQKTUJB-JTQLQIEISA-N -1 3 277.242 1.744 10 0 CDAEHM CCCN(C)S(=O)(=O)[N-]c1cnc(CC(C)C)nc1 ZINC000355878427 157273461 /nfs/dbraw/zinc/27/34/61/157273461.db2.gz HTDFVCXCSUBYMC-UHFFFAOYSA-N -1 3 286.401 1.674 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000372026005 160071298 /nfs/dbraw/zinc/07/12/98/160071298.db2.gz NTYCSVYJQWMFTR-ODOQXGPZSA-N -1 3 275.348 1.934 10 0 CDAEHM O=C([N-]c1cnns1)C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000658856299 413452961 /nfs/dbraw/zinc/45/29/61/413452961.db2.gz ZXCCNATULSAXCQ-SNVBAGLBSA-N -1 3 294.380 1.515 10 0 CDAEHM COc1ccc(Cl)cc1NC(=O)CN[C@H](C)C(=O)[O-] ZINC000035387651 172169768 /nfs/dbraw/zinc/16/97/68/172169768.db2.gz ZBCCVTCDGQGQRC-SSDOTTSWSA-N -1 3 286.715 1.350 10 0 CDAEHM C[C@H](NCC(=O)Nc1ccccc1Cl)C(=O)[O-] ZINC000035388728 172171191 /nfs/dbraw/zinc/17/11/91/172171191.db2.gz HFOHPLGPBLJHKD-ZETCQYMHSA-N -1 3 256.689 1.341 10 0 CDAEHM CC(C)N1CC[C@@H](N(C)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659424103 413804498 /nfs/dbraw/zinc/80/44/98/413804498.db2.gz BIEDMIASOJKJNZ-GFCCVEGCSA-N -1 3 297.399 1.365 10 0 CDAEHM CC(C)[C@@H](CNC(=O)[C@H](CN)c1ccc(F)cc1)C(=O)[O-] ZINC000656855596 413749027 /nfs/dbraw/zinc/74/90/27/413749027.db2.gz ONFYWNHYCGPISQ-CHWSQXEVSA-N -1 3 296.342 1.341 10 0 CDAEHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](CO)C1CCC1 ZINC000657057627 413884540 /nfs/dbraw/zinc/88/45/40/413884540.db2.gz VBKVKFPCFNIVFE-LBPRGKRZSA-N -1 3 287.356 1.573 10 0 CDAEHM O=S(=O)([N-][C@H]1C[C@@H](O)C12CCC2)c1cccs1 ZINC000657184444 414017204 /nfs/dbraw/zinc/01/72/04/414017204.db2.gz JARSXVGDOWCOCI-DTWKUNHWSA-N -1 3 273.379 1.330 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C)O2)c1 ZINC000657153432 413977817 /nfs/dbraw/zinc/97/78/17/413977817.db2.gz DHAPGPDIXOVYBS-MNOVXSKESA-N -1 3 287.385 1.139 10 0 CDAEHM C[C@]1(C[N-]S(=O)(=O)Cc2ccon2)CC1(F)F ZINC000657156297 413979007 /nfs/dbraw/zinc/97/90/07/413979007.db2.gz NOMAYVUDVLBBKN-MRVPVSSYSA-N -1 3 266.269 1.139 10 0 CDAEHM COc1ccc(OC)c([C@@](C)(NC2CC2)C(=O)[O-])c1 ZINC000037183337 173015766 /nfs/dbraw/zinc/01/57/66/173015766.db2.gz VAKYLFYMQLEVOW-CQSZACIVSA-N -1 3 265.309 1.756 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2C[C@H](O)CC(F)(F)C2)cc1[O-] ZINC000665447963 414190893 /nfs/dbraw/zinc/19/08/93/414190893.db2.gz YHJDCVKASNTOEV-SNVBAGLBSA-N -1 3 299.273 1.437 10 0 CDAEHM CN(C)CCN(CC(=O)[O-])c1ccc(Cl)cc1 ZINC000037597839 173549588 /nfs/dbraw/zinc/54/95/88/173549588.db2.gz AMRIJGMMCDUXBN-UHFFFAOYSA-N -1 3 256.733 1.793 10 0 CDAEHM N[C@@H](c1nn[n-]n1)c1ccccc1Br ZINC000040397278 174253325 /nfs/dbraw/zinc/25/33/25/174253325.db2.gz DQFKWJHYIJNCMP-SSDOTTSWSA-N -1 3 254.091 1.010 10 0 CDAEHM CC[C@@H](C)[C@H](N)C(=O)Nc1cc(F)ccc1C(=O)[O-] ZINC000040473657 174281771 /nfs/dbraw/zinc/28/17/71/174281771.db2.gz APGKNOFXPWPGNA-HQJQHLMTSA-N -1 3 268.288 1.836 10 0 CDAEHM C[C@](N)(C(=O)N1CCc2cc(C(=O)[O-])ccc21)C1CC1 ZINC000040480861 174284825 /nfs/dbraw/zinc/28/48/25/174284825.db2.gz RMJLQKXRGDYGOW-OAHLLOKOSA-N -1 3 274.320 1.401 10 0 CDAEHM CC[C@H](C)[C@@H](N)C(=O)NC1(C(=O)[O-])CCC(CC)CC1 ZINC000040481418 174285263 /nfs/dbraw/zinc/28/52/63/174285263.db2.gz PCLJOVQKWSAMQQ-DILZAHMFSA-N -1 3 284.400 1.900 10 0 CDAEHM CCC[C@](C)(N)C(=O)N(CCCC(=O)[O-])C(C)C ZINC000040485536 174288708 /nfs/dbraw/zinc/28/87/08/174288708.db2.gz XYNYPNCUECKTLP-ZDUSSCGKSA-N -1 3 258.362 1.606 10 0 CDAEHM C[C@@](N)(C(=O)N[C@H](C(=O)[O-])C1CCCCC1)C1CC1 ZINC000040486712 174289927 /nfs/dbraw/zinc/28/99/27/174289927.db2.gz GVDNLDZRJFLAED-FZMZJTMJSA-N -1 3 268.357 1.264 10 0 CDAEHM CN(C)CCNC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000040530499 174317012 /nfs/dbraw/zinc/31/70/12/174317012.db2.gz KUSPZGDKBCVVIC-VMPITWQZSA-N -1 3 277.324 1.468 10 0 CDAEHM CO[C@H]1CN[C@H](C(=O)Nc2cccc(C(=O)[O-])c2C)C1 ZINC000040632590 174359010 /nfs/dbraw/zinc/35/90/10/174359010.db2.gz HAEYSIIBELAKQV-SKDRFNHKSA-N -1 3 278.308 1.009 10 0 CDAEHM CC(C)CN(CCN(C)C)C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000042794148 174880392 /nfs/dbraw/zinc/88/03/92/174880392.db2.gz PKEABDAFTMRXKE-OAHLLOKOSA-N -1 3 299.415 1.469 10 0 CDAEHM Cc1ccc(NC(=O)C[C@H]2NC(=O)[N-]C2=O)cc1Cl ZINC000042849019 174891599 /nfs/dbraw/zinc/89/15/99/174891599.db2.gz KWMRREBYVYSORD-SECBINFHSA-N -1 3 281.699 1.185 10 0 CDAEHM Cc1nc(C)c([C@@H](C)[NH2+][C@H](CC(C)C)C(=O)[O-])c(=O)[n-]1 ZINC000043434306 175044463 /nfs/dbraw/zinc/04/44/63/175044463.db2.gz RTFSRJSFQGUIRP-MWLCHTKSSA-N -1 3 281.356 1.537 10 0 CDAEHM Cc1cc(=O)n([C@@H](C)CN2CCCC2)c(C)c1C(=O)[O-] ZINC000043673666 175088046 /nfs/dbraw/zinc/08/80/46/175088046.db2.gz FJMSJDNZFUEJDS-NSHDSACASA-N -1 3 278.352 1.820 10 0 CDAEHM COC(=O)Cc1csc(=NC(=O)OC(C)C)[n-]1 ZINC000044240813 175155872 /nfs/dbraw/zinc/15/58/72/175155872.db2.gz NWKGJZYCOXIABZ-UHFFFAOYSA-N -1 3 258.299 1.816 10 0 CDAEHM CC(C)[C@@](C)(CC(=O)NC[C@@H]1CCCN(C)C1)C(=O)[O-] ZINC000044536253 175198308 /nfs/dbraw/zinc/19/83/08/175198308.db2.gz FNQDGONWVJXBPO-SWLSCSKDSA-N -1 3 284.400 1.581 10 0 CDAEHM CCNCC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000044651608 175224730 /nfs/dbraw/zinc/22/47/30/175224730.db2.gz NHWWCLTYYHWOIY-UHFFFAOYSA-N -1 3 290.363 1.241 10 0 CDAEHM CCCNCC(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000044650996 175224913 /nfs/dbraw/zinc/22/49/13/175224913.db2.gz AMSRXKUVVFFZEW-UHFFFAOYSA-N -1 3 250.298 1.631 10 0 CDAEHM N[C@@H](C(=O)[O-])[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000044713545 175235733 /nfs/dbraw/zinc/23/57/33/175235733.db2.gz PAXQHHPDKPCSDJ-CHWSQXEVSA-N -1 3 292.335 1.590 10 0 CDAEHM Cc1cc(=O)n(C[C@@H](C)N(C)C)c(C)c1C(=O)[O-] ZINC000045109411 175309425 /nfs/dbraw/zinc/30/94/25/175309425.db2.gz XJYKRMLIBLTKTC-SECBINFHSA-N -1 3 252.314 1.113 10 0 CDAEHM CN1CC[C@@H](Nc2ncnc3cc(C(=O)[O-])ccc32)C1 ZINC000071141722 176039351 /nfs/dbraw/zinc/03/93/51/176039351.db2.gz NZBXGCWCYCHAPF-SNVBAGLBSA-N -1 3 272.308 1.444 10 0 CDAEHM Cc1cc(C(=O)NCc2ncc3c(n2)CCOC3)ccc1[O-] ZINC000652753456 423963158 /nfs/dbraw/zinc/96/31/58/423963158.db2.gz DKRRXJFEWNGTBS-UHFFFAOYSA-N -1 3 299.330 1.493 10 0 CDAEHM CCC[C@@](C)(NCc1cc2n(n1)CCCC2)C(=O)[O-] ZINC000653503452 424221076 /nfs/dbraw/zinc/22/10/76/424221076.db2.gz HMKWJUOISOQMFA-CQSZACIVSA-N -1 3 265.357 1.952 10 0 CDAEHM CN(C)CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000653277766 424313988 /nfs/dbraw/zinc/31/39/88/424313988.db2.gz VIDRNMUMKQZTOC-CHWSQXEVSA-N -1 3 282.384 1.288 10 0 CDAEHM COCCn1ccc(C(=O)[N-]c2ncccc2SC)n1 ZINC000652877939 424423069 /nfs/dbraw/zinc/42/30/69/424423069.db2.gz MFSQFZOXMFLWQI-UHFFFAOYSA-N -1 3 292.364 1.899 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000628096590 424586270 /nfs/dbraw/zinc/58/62/70/424586270.db2.gz CWGCLZRLQHXFHI-NHYWBVRUSA-N -1 3 261.321 1.809 10 0 CDAEHM COC(=O)c1[n-]c(=NC[C@@]2(C)CCOC2)sc1C ZINC000397272642 270347740 /nfs/dbraw/zinc/34/77/40/270347740.db2.gz ONWHBHSRAGQGQZ-GFCCVEGCSA-N -1 3 270.354 1.499 10 0 CDAEHM C[C@H](CC(=O)NCc1ncccc1[O-])n1cccc1 ZINC000526941429 270648528 /nfs/dbraw/zinc/64/85/28/270648528.db2.gz RAYYSIVFKCXYEB-LLVKDONJSA-N -1 3 259.309 1.856 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000530069868 271096184 /nfs/dbraw/zinc/09/61/84/271096184.db2.gz KGQPBUBPHZLEHV-JGRMJRGVSA-N -1 3 293.388 1.826 10 0 CDAEHM CC(C)(CNC(=O)c1ccccc1[O-])C(=O)N1CCCC1 ZINC000530085993 271100164 /nfs/dbraw/zinc/10/01/64/271100164.db2.gz CNHCXHSDPBCNFE-UHFFFAOYSA-N -1 3 290.363 1.771 10 0 CDAEHM COc1nnc(NC(=O)c2ccc3[nH]ccc3c2)[n-]1 ZINC000129365156 278086141 /nfs/dbraw/zinc/08/61/41/278086141.db2.gz LEEGUCUEIUNNKK-UHFFFAOYSA-N -1 3 257.253 1.547 10 0 CDAEHM COc1nc(NC(=O)c2ccc3[nH]ccc3c2)n[n-]1 ZINC000129365156 278086142 /nfs/dbraw/zinc/08/61/42/278086142.db2.gz LEEGUCUEIUNNKK-UHFFFAOYSA-N -1 3 257.253 1.547 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc3[nH]ccc3c2)n1 ZINC000129365156 278086143 /nfs/dbraw/zinc/08/61/43/278086143.db2.gz LEEGUCUEIUNNKK-UHFFFAOYSA-N -1 3 257.253 1.547 10 0 CDAEHM CC1(C)CCN(C(=O)c2cccc([O-])c2)CCS1(=O)=O ZINC000278094792 278257158 /nfs/dbraw/zinc/25/71/58/278257158.db2.gz PUQKOQQYPXMNFR-UHFFFAOYSA-N -1 3 297.376 1.432 10 0 CDAEHM Cc1cncc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000120662880 279388282 /nfs/dbraw/zinc/38/82/82/279388282.db2.gz USQXIAWYLAEWPA-UHFFFAOYSA-N -1 3 294.318 1.746 10 0 CDAEHM Cc1cncc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000120662880 279388284 /nfs/dbraw/zinc/38/82/84/279388284.db2.gz USQXIAWYLAEWPA-UHFFFAOYSA-N -1 3 294.318 1.746 10 0 CDAEHM Cc1cc(C(=O)NCC[C@@H](C)[S@](C)=O)ccc1[O-] ZINC000226719064 280101946 /nfs/dbraw/zinc/10/19/46/280101946.db2.gz INPOGQCZPACVMJ-MGNBDDOMSA-N -1 3 269.366 1.588 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CC[C@H]3C[C@H]3C2)cn1C ZINC000528447845 281233398 /nfs/dbraw/zinc/23/33/98/281233398.db2.gz DSEIAMAWOYPARD-GRYCIOLGSA-N -1 3 283.397 1.443 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)n1 ZINC000528790132 281284984 /nfs/dbraw/zinc/28/49/84/281284984.db2.gz WCOGTJUXUCTXND-ZZMXHNAGSA-N -1 3 295.408 1.537 10 0 CDAEHM CC1(C)COC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000334883000 281294857 /nfs/dbraw/zinc/29/48/57/281294857.db2.gz SRBTXXUPZPYXET-LLVKDONJSA-N -1 3 291.319 1.668 10 0 CDAEHM O=C(N=c1[n-]ncs1)NC[C@H]1CCN1C1CCCC1 ZINC000528850609 281296920 /nfs/dbraw/zinc/29/69/20/281296920.db2.gz LOKNIJMHFHKUJH-SNVBAGLBSA-N -1 3 281.385 1.098 10 0 CDAEHM CCOC[C@H]1CN(Cc2nc(C)ccc2[O-])CCO1 ZINC000529666996 281350527 /nfs/dbraw/zinc/35/05/27/281350527.db2.gz QAOFGFXQEGQLFX-GFCCVEGCSA-N -1 3 266.341 1.333 10 0 CDAEHM CCCCS(=O)(=O)[N-]Cc1nc([C@@H]2C[C@@H]2C)no1 ZINC000545770284 289694130 /nfs/dbraw/zinc/69/41/30/289694130.db2.gz 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BKUYPHYSBKPTCQ-UHFFFAOYSA-N -1 3 264.266 1.873 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cc3occc3s2)n1 ZINC000679319720 483336883 /nfs/dbraw/zinc/33/68/83/483336883.db2.gz BKUYPHYSBKPTCQ-UHFFFAOYSA-N -1 3 264.266 1.873 10 0 CDAEHM COc1nc(NC(=O)CCC(C)(C)C(C)=O)n[n-]1 ZINC000679319607 483337058 /nfs/dbraw/zinc/33/70/58/483337058.db2.gz APROLXCUYHKXOJ-UHFFFAOYSA-N -1 3 254.290 1.147 10 0 CDAEHM COc1nnc(NC(=O)CCC(C)(C)C(C)=O)[n-]1 ZINC000679319607 483337060 /nfs/dbraw/zinc/33/70/60/483337060.db2.gz APROLXCUYHKXOJ-UHFFFAOYSA-N -1 3 254.290 1.147 10 0 CDAEHM COc1n[n-]c(NC(=O)CCC(C)(C)C(C)=O)n1 ZINC000679319607 483337063 /nfs/dbraw/zinc/33/70/63/483337063.db2.gz APROLXCUYHKXOJ-UHFFFAOYSA-N -1 3 254.290 1.147 10 0 CDAEHM C[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])C[C@H]1F ZINC000679645012 483408660 /nfs/dbraw/zinc/40/86/60/483408660.db2.gz XVIPKSNHSLOPGN-GZMMTYOYSA-N -1 3 253.273 1.918 10 0 CDAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3C[C@H]3C3CC3)cn21 ZINC000668195222 483606410 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520514091 /nfs/dbraw/zinc/51/40/91/520514091.db2.gz WSNAUQIPUBINKG-CYBMUJFWSA-N -1 3 251.326 1.998 10 0 CDAEHM CCC[C@@H](C)NC(=O)[C@H](C)N(CC)[C@@H](C)CC(=O)[O-] ZINC000061182477 520661401 /nfs/dbraw/zinc/66/14/01/520661401.db2.gz HJZSBZYPBFOPFR-WOPDTQHZSA-N -1 3 272.389 1.865 10 0 CDAEHM CCCC[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC000050888960 521152339 /nfs/dbraw/zinc/15/23/39/521152339.db2.gz HKYVBTNROFTJKL-QMMMGPOBSA-N -1 3 277.777 1.987 10 0 CDAEHM CCN(C[C@@H](C)C(=O)[O-])C(=O)C[C@@H](N)c1ccccc1 ZINC000061221750 521190003 /nfs/dbraw/zinc/19/00/03/521190003.db2.gz DXYCNYGBDASZDO-DGCLKSJQSA-N -1 3 278.352 1.646 10 0 CDAEHM CCN(C[C@@H](C)C(=O)[O-])C(=O)NC[C@H](C)N1CCCCC1 ZINC000061226473 521193122 /nfs/dbraw/zinc/19/31/22/521193122.db2.gz LAOVWIYPVPLWFO-OLZOCXBDSA-N -1 3 299.415 1.613 10 0 CDAEHM CCN(C[C@@H](C)C(=O)[O-])C(=O)N[C@H]1CCCN(CC)C1 ZINC000061225410 521194088 /nfs/dbraw/zinc/19/40/88/521194088.db2.gz XKYPELICXYWITJ-NEPJUHHUSA-N -1 3 285.388 1.223 10 0 CDAEHM CCN(C[C@@H](C)C(=O)[O-])[C@@H](C)C(=O)NCC(C)C ZINC000061218577 521198479 /nfs/dbraw/zinc/19/84/79/521198479.db2.gz SKKQVIZIJBRESJ-MNOVXSKESA-N -1 3 258.362 1.190 10 0 CDAEHM CCN(Cc1cc(=O)n2ccccc2n1)[C@H](C)CC(=O)[O-] ZINC000061183325 521283513 /nfs/dbraw/zinc/28/35/13/521283513.db2.gz CJVVBPWJNNZFHL-LLVKDONJSA-N -1 3 289.335 1.380 10 0 CDAEHM CCCN(CCC)C(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000061145369 521638154 /nfs/dbraw/zinc/63/81/54/521638154.db2.gz PBVMWFZZKONRAB-UHFFFAOYSA-N -1 3 285.388 1.321 10 0 CDAEHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@@H]1CCC[C@H]1OC ZINC000338534774 521756499 /nfs/dbraw/zinc/75/64/99/521756499.db2.gz LXYNUFLEDQHXLB-RKDXNWHRSA-N -1 3 298.364 1.937 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2cnc(C)nc2)c[n-]1 ZINC000339907566 521814889 /nfs/dbraw/zinc/81/48/89/521814889.db2.gz GTYBGHOPTUVZSC-UHFFFAOYSA-N -1 3 260.253 1.152 10 0 CDAEHM CN(C)C[C@H]1CCCN1C(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000061653898 521863481 /nfs/dbraw/zinc/86/34/81/521863481.db2.gz VSQCGHOLEUFEIA-MNOVXSKESA-N -1 3 285.388 1.221 10 0 CDAEHM CC[C@@H](C)N1C(=O)C[C@H](N(CC)[C@@H](C)CC(=O)[O-])C1=O ZINC000061182377 522105884 /nfs/dbraw/zinc/10/58/84/522105884.db2.gz XXWMWIUGLYJHNU-VWYCJHECSA-N -1 3 284.356 1.098 10 0 CDAEHM CNCc1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000068688674 522136324 /nfs/dbraw/zinc/13/63/24/522136324.db2.gz SURDNWRHRMNGIT-RYUDHWBXSA-N -1 3 276.336 1.701 10 0 CDAEHM COC[C@H]1C[C@H](OC)CN1C(=O)c1cc([O-])ccc1Cl ZINC000353613687 522874948 /nfs/dbraw/zinc/87/49/48/522874948.db2.gz PGCZNAQBZQIPJR-KOLCDFICSA-N -1 3 299.754 1.922 10 0 CDAEHM CN(CCn1c(=O)[nH]c2cc(C(=O)[O-])ccc21)C1CC1 ZINC000062010123 522997955 /nfs/dbraw/zinc/99/79/55/522997955.db2.gz CLZSQGXYVDOWGP-UHFFFAOYSA-N -1 3 275.308 1.122 10 0 CDAEHM COC(=O)[C@H](C)S(=O)(=O)[N-]c1ccc2c(c1)NCCC2 ZINC000069053239 523888049 /nfs/dbraw/zinc/88/80/49/523888049.db2.gz CZCRQHKEKUFBGR-VIFPVBQESA-N -1 3 298.364 1.348 10 0 CDAEHM CC[C@H](C)N1CCN(c2ccc3c(c2)[N-]C(=O)C3=O)CC1 ZINC000055067346 523960349 /nfs/dbraw/zinc/96/03/49/523960349.db2.gz VRLFQHOQQVJBLV-NSHDSACASA-N -1 3 287.363 1.742 10 0 CDAEHM CN1CC[C@H](Nc2nc3c(cc2C(=O)[O-])CCC3)C1 ZINC000054531265 523990875 /nfs/dbraw/zinc/99/08/75/523990875.db2.gz NEAXOIKGFMJJPB-JTQLQIEISA-N -1 3 261.325 1.385 10 0 CDAEHM CN1CN(Cc2cccc([O-])c2Br)CC1=O ZINC000334727905 524004186 /nfs/dbraw/zinc/00/41/86/524004186.db2.gz PIGXTCMKLGFULY-UHFFFAOYSA-N -1 3 285.141 1.386 10 0 CDAEHM C[C@H]1C[C@@H]1[N-]S(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000052272221 524853498 /nfs/dbraw/zinc/85/34/98/524853498.db2.gz GSPGJJLZFNGQQV-XNCJUZBTSA-N -1 3 278.736 1.748 10 0 CDAEHM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc2c(c1)CNCC2 ZINC000069052807 525502853 /nfs/dbraw/zinc/50/28/53/525502853.db2.gz NLEKAQFINLWLEH-UHFFFAOYSA-N -1 3 292.364 1.165 10 0 CDAEHM C[C@@H](NCc1ccc(I)o1)C(=O)[O-] ZINC000049357168 525525137 /nfs/dbraw/zinc/52/51/37/525525137.db2.gz UECWDKAOSFHNNX-RXMQYKEDSA-N -1 3 295.076 1.447 10 0 CDAEHM COc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1[O-] ZINC000163960490 525810605 /nfs/dbraw/zinc/81/06/05/525810605.db2.gz TZHBZVLXXLUCSY-PHIMTYICSA-N -1 3 276.336 1.367 10 0 CDAEHM CSc1nnc(NC(=O)[C@H](C)C2CCOCC2)[n-]1 ZINC000339393164 526205494 /nfs/dbraw/zinc/20/54/94/526205494.db2.gz UPNLALWLCQSBCI-SSDOTTSWSA-N -1 3 270.358 1.528 10 0 CDAEHM CSc1n[n-]c(NC(=O)[C@H](C)C2CCOCC2)n1 ZINC000339393164 526205499 /nfs/dbraw/zinc/20/54/99/526205499.db2.gz UPNLALWLCQSBCI-SSDOTTSWSA-N -1 3 270.358 1.528 10 0 CDAEHM CSc1nc(NC(=O)[C@H](C)C2CCOCC2)n[n-]1 ZINC000339393164 526205504 /nfs/dbraw/zinc/20/55/04/526205504.db2.gz UPNLALWLCQSBCI-SSDOTTSWSA-N -1 3 270.358 1.528 10 0 CDAEHM Cc1cnn(C[C@](NC2CC2)(C(=O)[O-])c2ccccc2)c1 ZINC000045436188 526265152 /nfs/dbraw/zinc/26/51/52/526265152.db2.gz GMUQHMOIGMSGTI-MRXNPFEDSA-N -1 3 285.347 1.924 10 0 CDAEHM O=C([O-])c1c(NCCN2CCCCC2)nc2ccccn21 ZINC000049575639 526341013 /nfs/dbraw/zinc/34/10/13/526341013.db2.gz KRWAECMBAXABHV-UHFFFAOYSA-N -1 3 288.351 1.930 10 0 CDAEHM Cc1nc(N)sc1S(=O)(=O)[N-]CCC(F)(F)F ZINC000069367107 526960012 /nfs/dbraw/zinc/96/00/12/526960012.db2.gz UGSIYGITOMVWAD-UHFFFAOYSA-N -1 3 289.304 1.264 10 0 CDAEHM NC[C@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000061612432 527222429 /nfs/dbraw/zinc/22/24/29/527222429.db2.gz UBYMXYFDNYZEHF-OLZOCXBDSA-N -1 3 276.336 1.052 10 0 CDAEHM Nc1n[n-]c(-c2nc(CCOc3ccccc3)no2)n1 ZINC000055169867 527540918 /nfs/dbraw/zinc/54/09/18/527540918.db2.gz VJBIVWJGDILVGL-UHFFFAOYSA-N -1 3 272.268 1.058 10 0 CDAEHM Nc1nnc(-c2nc(CCOc3ccccc3)no2)[n-]1 ZINC000055169867 527540923 /nfs/dbraw/zinc/54/09/23/527540923.db2.gz VJBIVWJGDILVGL-UHFFFAOYSA-N -1 3 272.268 1.058 10 0 CDAEHM Nc1nc(-c2nc(CCOc3ccccc3)no2)n[n-]1 ZINC000055169867 527540929 /nfs/dbraw/zinc/54/09/29/527540929.db2.gz VJBIVWJGDILVGL-UHFFFAOYSA-N -1 3 272.268 1.058 10 0 CDAEHM Nc1n[n-]c(-c2nc(COc3ccccc3)no2)n1 ZINC000055169995 527541462 /nfs/dbraw/zinc/54/14/62/527541462.db2.gz KPZWMDJNPLIEQV-UHFFFAOYSA-N -1 3 258.241 1.016 10 0 CDAEHM Nc1nnc(-c2nc(COc3ccccc3)no2)[n-]1 ZINC000055169995 527541463 /nfs/dbraw/zinc/54/14/63/527541463.db2.gz KPZWMDJNPLIEQV-UHFFFAOYSA-N -1 3 258.241 1.016 10 0 CDAEHM Nc1nc(-c2nc(COc3ccccc3)no2)n[n-]1 ZINC000055169995 527541469 /nfs/dbraw/zinc/54/14/69/527541469.db2.gz KPZWMDJNPLIEQV-UHFFFAOYSA-N -1 3 258.241 1.016 10 0 CDAEHM O=C([O-])/C=C/c1cc(F)ccc1CN1CC[C@@H](O)C1 ZINC000061711546 527544096 /nfs/dbraw/zinc/54/40/96/527544096.db2.gz OIBJQZRNIZBKBB-CXLRFSCWSA-N -1 3 265.284 1.490 10 0 CDAEHM CCOC(=O)C[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000182615159 535732878 /nfs/dbraw/zinc/73/28/78/535732878.db2.gz QBEKMTNBJOJNIG-VIFPVBQESA-N -1 3 251.282 1.464 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(C)(C)O ZINC000394002190 574446685 /nfs/dbraw/zinc/44/66/85/574446685.db2.gz BZTOBQWJDRMXGR-SSDOTTSWSA-N -1 3 295.763 1.917 10 0 CDAEHM Cc1cc(=O)[n-]c(CN(C)CCCNC(=O)C2CCC2)n1 ZINC000759998801 576451756 /nfs/dbraw/zinc/45/17/56/576451756.db2.gz KACFQXYGAGVRQQ-UHFFFAOYSA-N -1 3 292.383 1.229 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@](C)(O)c2ccccc2)o1 ZINC000773310786 575800214 /nfs/dbraw/zinc/80/02/14/575800214.db2.gz VKNNDVOUXFFIIW-CQSZACIVSA-N -1 3 295.360 1.774 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCN2CC[C@@H](C)C2)o1 ZINC000773311268 575800569 /nfs/dbraw/zinc/80/05/69/575800569.db2.gz JURUHXLWBCJDBJ-SNVBAGLBSA-N -1 3 272.370 1.208 10 0 CDAEHM O=C(NC[C@@]1(O)CCOC1)c1cc2sccc2c([O-])c1 ZINC000774068038 575850484 /nfs/dbraw/zinc/85/04/84/575850484.db2.gz FLYLCXWXCSLUJA-AWEZNQCLSA-N -1 3 293.344 1.488 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCOC3(CCCC3)C2)n1 ZINC000766984409 576151985 /nfs/dbraw/zinc/15/19/85/576151985.db2.gz WGNXJMYSFBRLGU-UHFFFAOYSA-N -1 3 263.341 1.636 10 0 CDAEHM COC[C@@](C)(CCO)NCCOc1ccccc1C(=O)[O-] ZINC000768782120 576308004 /nfs/dbraw/zinc/30/80/04/576308004.db2.gz WXNSWWCNYDQXHI-OAHLLOKOSA-N -1 3 297.351 1.141 10 0 CDAEHM CC(=O)c1cnc([N-]C(=O)c2nonc2C)s1 ZINC000741934706 576577623 /nfs/dbraw/zinc/57/76/23/576577623.db2.gz FWBFGIJDJCYWSB-UHFFFAOYSA-N -1 3 252.255 1.289 10 0 CDAEHM Cc1cc(=O)[n-]c(CSC[C@@H](C)CS(C)(=O)=O)n1 ZINC000763214528 576722142 /nfs/dbraw/zinc/72/21/42/576722142.db2.gz CAVATYQKSDPYEP-MRVPVSSYSA-N -1 3 290.410 1.405 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@H]2CC[C@H](SC)C2)c1 ZINC000747284157 576865235 /nfs/dbraw/zinc/86/52/35/576865235.db2.gz XIYONHBMZMOWAD-UWVGGRQHSA-N -1 3 289.426 1.465 10 0 CDAEHM CO[C@@H](C)[C@H](C)[N-]C(=O)C(F)(F)c1nccs1 ZINC000756762317 577003167 /nfs/dbraw/zinc/00/31/67/577003167.db2.gz PYTKRSMBTSBJBV-BQBZGAKWSA-N -1 3 264.297 1.775 10 0 CDAEHM O=C(N[C@H](CCO)C1CC1)c1cc(=O)c2ccccc2[n-]1 ZINC000757090785 577027077 /nfs/dbraw/zinc/02/70/77/577027077.db2.gz RFXCDIWARJKGBC-GFCCVEGCSA-N -1 3 286.331 1.419 10 0 CDAEHM CCOC(=O)[C@@H](CC1CC1)NC(=O)c1ccccc1[O-] ZINC000752382479 577102170 /nfs/dbraw/zinc/10/21/70/577102170.db2.gz JAECWLHMKYQLEC-GFCCVEGCSA-N -1 3 277.320 1.854 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCC2(C)OCCO2)o1 ZINC000759115862 577153637 /nfs/dbraw/zinc/15/36/37/577153637.db2.gz MMLMWLWVONLWPX-UHFFFAOYSA-N -1 3 275.326 1.019 10 0 CDAEHM C/C=C(\C)C(=O)NC[C@@H](C)CNC(=O)c1ccccc1[O-] ZINC001688858643 1175046067 /nfs/dbraw/zinc/04/60/67/1175046067.db2.gz UXZVKAWKCHGWPG-DWGGBAKOSA-N -1 3 290.363 1.841 10 0 CDAEHM CCC(C)(C)CC(=O)NCC=CCNC(=O)c1cn[n-]n1 ZINC001689346577 1175150075 /nfs/dbraw/zinc/15/00/75/1175150075.db2.gz YSQITYYMXINLBU-WAYWQWQTSA-N -1 3 293.371 1.033 10 0 CDAEHM CN(C)c1nc(C(=O)OCCCCF)cc(=O)[n-]1 ZINC000803503819 678250009 /nfs/dbraw/zinc/25/00/09/678250009.db2.gz WEVNXEKSGOUGMI-UHFFFAOYSA-N -1 3 257.265 1.155 10 0 CDAEHM O=S(=O)([N-]C1CC2(CCC2)C1)c1cccnc1F ZINC000829308186 617861118 /nfs/dbraw/zinc/86/11/18/617861118.db2.gz NOVJNXGPWOVDTQ-UHFFFAOYSA-N -1 3 270.329 1.832 10 0 CDAEHM CCOC(=O)c1nc([C@H](C)NCc2nccn2CC)n[n-]1 ZINC000895237167 619480385 /nfs/dbraw/zinc/48/03/85/619480385.db2.gz VFRXJHMLTROSEG-VIFPVBQESA-N -1 3 292.343 1.049 10 0 CDAEHM CCOC(=O)c1nnc([C@H](C)NCc2nccn2CC)[n-]1 ZINC000895237167 619480390 /nfs/dbraw/zinc/48/03/90/619480390.db2.gz VFRXJHMLTROSEG-VIFPVBQESA-N -1 3 292.343 1.049 10 0 CDAEHM CCOC(=O)c1n[n-]c([C@H](C)NCc2nccn2CC)n1 ZINC000895237167 619480394 /nfs/dbraw/zinc/48/03/94/619480394.db2.gz VFRXJHMLTROSEG-VIFPVBQESA-N -1 3 292.343 1.049 10 0 CDAEHM c1[n-][nH]c2ncnc(=N[C@H]3CCSC4(CCC4)C3)c1-2 ZINC000896253691 620036124 /nfs/dbraw/zinc/03/61/24/620036124.db2.gz KDKARAUKWNLPRO-VIFPVBQESA-N -1 3 275.381 1.957 10 0 CDAEHM CCC1([N-]S(=O)(=O)c2ccc(C)nn2)CCC1 ZINC000866909715 620376847 /nfs/dbraw/zinc/37/68/47/620376847.db2.gz KLKMRIVGJMGIKZ-UHFFFAOYSA-N -1 3 255.343 1.396 10 0 CDAEHM CCO[C@H](C)C(=O)Nc1[n-]nc2cc(C)n(CC)c(=O)c21 ZINC000898030359 621298524 /nfs/dbraw/zinc/29/85/24/621298524.db2.gz UYNWGNKTVOEVIW-SECBINFHSA-N -1 3 292.339 1.416 10 0 CDAEHM Cn1cccc1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898207474 621363341 /nfs/dbraw/zinc/36/33/41/621363341.db2.gz LCOLUPMCHGUYNZ-VIFPVBQESA-N -1 3 260.297 1.084 10 0 CDAEHM O=C(c1ccccc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898207250 621363519 /nfs/dbraw/zinc/36/35/19/621363519.db2.gz GWTTZLMRJOAJKR-NSHDSACASA-N -1 3 257.293 1.745 10 0 CDAEHM O=C(Cc1cccc(F)c1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898208176 621364340 /nfs/dbraw/zinc/36/43/40/621364340.db2.gz ZSGSOOPCFRZYCV-LLVKDONJSA-N -1 3 289.310 1.813 10 0 CDAEHM O=C([C@H]1Cc2ccccc21)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898212473 621366505 /nfs/dbraw/zinc/36/65/05/621366505.db2.gz KEFVDKKWLAPUGG-AAEUAGOBSA-N -1 3 283.331 1.771 10 0 CDAEHM CSCCCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898213467 621366954 /nfs/dbraw/zinc/36/69/54/621366954.db2.gz WORVNQNYACAJLS-SECBINFHSA-N -1 3 269.370 1.574 10 0 CDAEHM CC[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)O1 ZINC000898215694 621367612 /nfs/dbraw/zinc/36/76/12/621367612.db2.gz IVBUYSINJFSAJL-FOGDFJRCSA-N -1 3 279.340 1.389 10 0 CDAEHM CC(=O)c1cccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC000898215288 621367697 /nfs/dbraw/zinc/36/76/97/621367697.db2.gz DOPMYULRWJRYCA-CYBMUJFWSA-N -1 3 299.330 1.948 10 0 CDAEHM O=C(c1cnc2ccccn21)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217752 621370646 /nfs/dbraw/zinc/37/06/46/621370646.db2.gz QZDIELDMCSJFNX-JTQLQIEISA-N -1 3 297.318 1.393 10 0 CDAEHM Cc1nocc1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898226228 621414871 /nfs/dbraw/zinc/41/48/71/621414871.db2.gz MCMLJFJXXANVNQ-MRVPVSSYSA-N -1 3 262.269 1.041 10 0 CDAEHM CCOC1(C(=O)NCc2nc(C)cc(=O)[n-]2)CCC1 ZINC000898258444 621422327 /nfs/dbraw/zinc/42/23/27/621422327.db2.gz QTJWAIZHCJZOOH-UHFFFAOYSA-N -1 3 265.313 1.066 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@H](C)Cc2ccccc2)n1 ZINC000898261112 621427987 /nfs/dbraw/zinc/42/79/87/621427987.db2.gz FFGXFDTXAITIIP-LLVKDONJSA-N -1 3 285.347 1.986 10 0 CDAEHM COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1cc(SC)ccc1[O-] ZINC000899675760 622353641 /nfs/dbraw/zinc/35/36/41/622353641.db2.gz JXGZRKWZMDQOEH-PSASIEDQSA-N -1 3 295.360 1.653 10 0 CDAEHM COc1ccc(C)nc1[N-]C(=O)c1nnc(C2CC2)o1 ZINC000900927967 623683132 /nfs/dbraw/zinc/68/31/32/623683132.db2.gz QXDQOALDNPGOIX-UHFFFAOYSA-N -1 3 274.280 1.911 10 0 CDAEHM Cc1[n-]nc(Cl)c1C(=O)NOCC(F)(F)F ZINC000901111386 623873224 /nfs/dbraw/zinc/87/32/24/623873224.db2.gz OYEGBSLEKRBTLA-UHFFFAOYSA-N -1 3 257.599 1.595 10 0 CDAEHM C[C@@H](CN(C)Cc1c2c(nn1C)CCCC2)C(=O)[O-] ZINC000901596569 624354532 /nfs/dbraw/zinc/35/45/32/624354532.db2.gz HQTJQKJXWDUHCH-JTQLQIEISA-N -1 3 265.357 1.451 10 0 CDAEHM Cc1nc2ccccn2c1CN1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000902554922 624944073 /nfs/dbraw/zinc/94/40/73/624944073.db2.gz WQECVHFXKSCAJT-ZOWXZIJZSA-N -1 3 285.347 1.795 10 0 CDAEHM C[C@@H]1CN(CC[C@@H]2C[C@H]2C2CC2)C[C@H](C(=O)[O-])O1 ZINC000903600701 626030957 /nfs/dbraw/zinc/03/09/57/626030957.db2.gz CUBVRKJQNHQQFD-FOUMNBMASA-N -1 3 253.342 1.597 10 0 CDAEHM C[C@@]1(C(=O)Nc2cccc([O-])c2F)CCCS1(=O)=O ZINC000907161820 627554545 /nfs/dbraw/zinc/55/45/45/627554545.db2.gz MFSWLHJYPKYFIN-LBPRGKRZSA-N -1 3 287.312 1.437 10 0 CDAEHM CN(CC(=O)N[C@](C)(CC(=O)[O-])C1CC1)CC(C)(C)C ZINC000910319578 628992113 /nfs/dbraw/zinc/99/21/13/628992113.db2.gz SGPMXUPDCUUUKI-OAHLLOKOSA-N -1 3 284.400 1.724 10 0 CDAEHM Cc1cc(C(=O)N[C@@H](C)CN2CCCCC2)oc1C(=O)[O-] ZINC000911196638 629206968 /nfs/dbraw/zinc/20/69/68/629206968.db2.gz HHLQQTFYALLTHH-NSHDSACASA-N -1 3 294.351 1.890 10 0 CDAEHM O=C(c1cccc2[nH]ncc21)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911852545 629590786 /nfs/dbraw/zinc/59/07/86/629590786.db2.gz NOTCYZDJBFAPGD-SECBINFHSA-N -1 3 297.318 1.621 10 0 CDAEHM CC(=CC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)c1cnccn1 ZINC000911854916 629593204 /nfs/dbraw/zinc/59/32/04/629593204.db2.gz OGUAKWOAOVOSOX-YAEJEKNGSA-N -1 3 299.334 1.325 10 0 CDAEHM C[C@]1(NC(=O)c2cc(F)c([O-])c(F)c2)CN2CCC1CC2 ZINC000912380045 629952783 /nfs/dbraw/zinc/95/27/83/629952783.db2.gz ZBIYBRXATCRDRX-HNNXBMFYSA-N -1 3 296.317 1.885 10 0 CDAEHM O=C(c1c([O-])cccc1Cl)N1CC[C@@H](N2CCC2)C1 ZINC000912911569 630279077 /nfs/dbraw/zinc/27/90/77/630279077.db2.gz KTHLRSYXFWZKLB-SNVBAGLBSA-N -1 3 280.755 1.966 10 0 CDAEHM CC(C)(CCN1CCOCC1)NC(=O)c1cncc([O-])c1 ZINC000912950336 630311938 /nfs/dbraw/zinc/31/19/38/630311938.db2.gz 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253.346 1.585 10 0 CDAEHM O=C(NCc1ccc([O-])c2ncccc12)[C@H]1C[C@@]12CCOC2 ZINC000616022122 349249423 /nfs/dbraw/zinc/24/94/23/349249423.db2.gz CTXDLSZRCBNPAH-CXAGYDPISA-N -1 3 298.342 1.983 10 0 CDAEHM C[C@H](COc1c(F)cccc1F)NC(=O)c1c[n-]nn1 ZINC000618166525 349391500 /nfs/dbraw/zinc/39/15/00/349391500.db2.gz GASRKJWBYFOTJB-SSDOTTSWSA-N -1 3 282.250 1.280 10 0 CDAEHM C[C@H](COc1c(F)cccc1F)NC(=O)c1cnn[n-]1 ZINC000618166525 349391504 /nfs/dbraw/zinc/39/15/04/349391504.db2.gz GASRKJWBYFOTJB-SSDOTTSWSA-N -1 3 282.250 1.280 10 0 CDAEHM C[C@H](COc1c(F)cccc1F)NC(=O)c1cn[n-]n1 ZINC000618166525 349391505 /nfs/dbraw/zinc/39/15/05/349391505.db2.gz GASRKJWBYFOTJB-SSDOTTSWSA-N -1 3 282.250 1.280 10 0 CDAEHM O=C([O-])c1cnccc1N1CC[C@@](O)(C(F)(F)F)C1 ZINC000311815041 350721805 /nfs/dbraw/zinc/72/18/05/350721805.db2.gz JCKMGFHJGHYBQH-JTQLQIEISA-N -1 3 276.214 1.283 10 0 CDAEHM O=C(c1cc(F)c[n-]c1=O)N1CC(C2CCOCC2)C1 ZINC000622015010 350936904 /nfs/dbraw/zinc/93/69/04/350936904.db2.gz 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/nfs/dbraw/zinc/18/77/79/366187779.db2.gz ACBFPESONDQHEC-MRVPVSSYSA-N -1 3 260.087 1.542 10 0 CDAEHM CCO[C@H](CS(=O)(=O)[N-]Cc1conc1C)C1CC1 ZINC000632397861 366189217 /nfs/dbraw/zinc/18/92/17/366189217.db2.gz PZMQUVDKJRVBPO-GFCCVEGCSA-N -1 3 288.369 1.218 10 0 CDAEHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000629759959 363410323 /nfs/dbraw/zinc/41/03/23/363410323.db2.gz JCTQZGKODVOLBR-DRZCJDIDSA-N -1 3 298.342 1.514 10 0 CDAEHM CCCN(CC(=O)[O-])C(=O)[C@@H]1NCCCC1(C)C ZINC000233050262 283109420 /nfs/dbraw/zinc/10/94/20/283109420.db2.gz YMGHUQONTFOSGP-NSHDSACASA-N -1 3 256.346 1.088 10 0 CDAEHM O=C([O-])CCCCN1CCC[C@](O)(C(F)(F)F)C1 ZINC000342121910 304047915 /nfs/dbraw/zinc/04/79/15/304047915.db2.gz GYEGDAVPTXHBPL-SNVBAGLBSA-N -1 3 269.263 1.631 10 0 CDAEHM N[C@@H](C(=O)[O-])c1cccc(I)c1 ZINC000003676895 356008563 /nfs/dbraw/zinc/00/85/63/356008563.db2.gz ZMENGXGFTBSCQA-SSDOTTSWSA-N -1 3 277.061 1.376 10 0 CDAEHM CCn1ccc(-c2[n-]nnc2C(=O)OC(C)(C)C)n1 ZINC000725266385 538456620 /nfs/dbraw/zinc/45/66/20/538456620.db2.gz RSCKKDBEHKJIPL-UHFFFAOYSA-N -1 3 263.301 1.643 10 0 CDAEHM CCn1ccc(-c2nn[n-]c2C(=O)OC(C)(C)C)n1 ZINC000725266385 538456622 /nfs/dbraw/zinc/45/66/22/538456622.db2.gz RSCKKDBEHKJIPL-UHFFFAOYSA-N -1 3 263.301 1.643 10 0 CDAEHM CCCN1CCN(c2ccc(C(=O)[O-])cc2N)CC1 ZINC000037930658 356944591 /nfs/dbraw/zinc/94/45/91/356944591.db2.gz OMFSVMJZGSFLAO-UHFFFAOYSA-N -1 3 263.341 1.499 10 0 CDAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC[C@H]1c1ccsc1 ZINC000046915380 357150388 /nfs/dbraw/zinc/15/03/88/357150388.db2.gz ODACPIZMANDXOZ-UWVGGRQHSA-N -1 3 293.348 1.010 10 0 CDAEHM CCc1cnc(S(=O)(=O)Cc2cnc(C)nc2)[n-]1 ZINC000580718965 357532093 /nfs/dbraw/zinc/53/20/93/357532093.db2.gz IVEVPXBQRJYPKQ-UHFFFAOYSA-N -1 3 266.326 1.044 10 0 CDAEHM CCc1c[n-]c(S(=O)(=O)Cc2cnc(C)nc2)n1 ZINC000580718965 357532097 /nfs/dbraw/zinc/53/20/97/357532097.db2.gz IVEVPXBQRJYPKQ-UHFFFAOYSA-N -1 3 266.326 1.044 10 0 CDAEHM COC(=O)c1cnc(SCC(=O)NC(C)(C)C)[n-]1 ZINC000187587335 357782762 /nfs/dbraw/zinc/78/27/62/357782762.db2.gz FZWPXLRPFDEONM-UHFFFAOYSA-N -1 3 271.342 1.203 10 0 CDAEHM Cc1nc(C)c(CC(=O)N[C@H]2CSC2(C)C)c(=O)[n-]1 ZINC000558952847 358033512 /nfs/dbraw/zinc/03/35/12/358033512.db2.gz ZPCMJGHLMIHWMI-JTQLQIEISA-N -1 3 281.381 1.352 10 0 CDAEHM CCc1ccc(C(=O)N2CCC[C@@H](C(=O)OC)C2)c([O-])c1 ZINC000190918751 358100097 /nfs/dbraw/zinc/10/00/97/358100097.db2.gz CQBHLSDFEDMBPR-GFCCVEGCSA-N -1 3 291.347 1.980 10 0 CDAEHM COc1nc(NC(=O)C(C)(C)[C@H]2CCCCO2)n[n-]1 ZINC000632257259 358265406 /nfs/dbraw/zinc/26/54/06/358265406.db2.gz AYTMRLGFFCURMZ-MRVPVSSYSA-N -1 3 268.317 1.347 10 0 CDAEHM COc1nnc(NC(=O)C(C)(C)[C@H]2CCCCO2)[n-]1 ZINC000632257259 358265410 /nfs/dbraw/zinc/26/54/10/358265410.db2.gz AYTMRLGFFCURMZ-MRVPVSSYSA-N -1 3 268.317 1.347 10 0 CDAEHM COc1n[n-]c(NC(=O)C(C)(C)[C@H]2CCCCO2)n1 ZINC000632257259 358265415 /nfs/dbraw/zinc/26/54/15/358265415.db2.gz AYTMRLGFFCURMZ-MRVPVSSYSA-N -1 3 268.317 1.347 10 0 CDAEHM O=C(c1cc([O-])ccc1F)N1CCS[C@@H]2COCC[C@@H]21 ZINC000294828149 199201342 /nfs/dbraw/zinc/20/13/42/199201342.db2.gz DFSLNPYANHPDCO-QWHCGFSZSA-N -1 3 297.351 1.878 10 0 CDAEHM [O-]c1cc(CN2CCOC[C@@H](O)C2)cc(C(F)(F)F)c1 ZINC000294868659 199221517 /nfs/dbraw/zinc/22/15/17/199221517.db2.gz UNPCUHFGTCEUCK-LBPRGKRZSA-N -1 3 291.269 1.604 10 0 CDAEHM CC[C@H](C[N-]S(=O)(=O)c1cc(C)cs1)C(=O)OC ZINC000592081252 358585459 /nfs/dbraw/zinc/58/54/59/358585459.db2.gz ZMMQLZHKHJVWJJ-SECBINFHSA-N -1 3 291.394 1.534 10 0 CDAEHM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)N1CCC[C@H]1C ZINC000408286269 358920555 /nfs/dbraw/zinc/92/05/55/358920555.db2.gz LFEKNTCJUJJCGX-ZCFIWIBFSA-N -1 3 294.327 1.797 10 0 CDAEHM COc1nnc(NC(=O)[C@H]2SCCc3sccc32)[n-]1 ZINC000179374214 366530407 /nfs/dbraw/zinc/53/04/07/366530407.db2.gz NWFLUUKQNHOPGF-QMMMGPOBSA-N -1 3 296.377 1.844 10 0 CDAEHM COc1nc(NC(=O)[C@H]2SCCc3sccc32)n[n-]1 ZINC000179374214 366530418 /nfs/dbraw/zinc/53/04/18/366530418.db2.gz NWFLUUKQNHOPGF-QMMMGPOBSA-N -1 3 296.377 1.844 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H]2SCCc3sccc32)n1 ZINC000179374214 366530421 /nfs/dbraw/zinc/53/04/21/366530421.db2.gz NWFLUUKQNHOPGF-QMMMGPOBSA-N -1 3 296.377 1.844 10 0 CDAEHM Cc1ccc(C[C@@H](C)N(C)Cc2nc(=O)n(C)[n-]2)cc1 ZINC000347431101 359365631 /nfs/dbraw/zinc/36/56/31/359365631.db2.gz DBUJUBMUXSHFOU-GFCCVEGCSA-N -1 3 274.368 1.480 10 0 CDAEHM O=C(Nc1cccc([O-])c1F)[C@H](O)C1CCOCC1 ZINC000560218048 359398408 /nfs/dbraw/zinc/39/84/08/359398408.db2.gz DTLJRLREVHZTOH-GFCCVEGCSA-N -1 3 269.272 1.257 10 0 CDAEHM C[C@@H]1[C@H](O)CCCN1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000297045237 200070273 /nfs/dbraw/zinc/07/02/73/200070273.db2.gz VEEJFOKNXHWQNB-RDDDGLTNSA-N -1 3 278.287 1.082 10 0 CDAEHM C[C@@H]1[C@H](O)CCCN1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000297045237 200070274 /nfs/dbraw/zinc/07/02/74/200070274.db2.gz VEEJFOKNXHWQNB-RDDDGLTNSA-N -1 3 278.287 1.082 10 0 CDAEHM C[C@@H]1[C@H](O)CCCN1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000297045237 200070275 /nfs/dbraw/zinc/07/02/75/200070275.db2.gz 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/nfs/dbraw/zinc/26/72/08/360267208.db2.gz PSEYFFUTYJQYEK-DTWKUNHWSA-N -1 3 267.354 1.480 10 0 CDAEHM CSc1nnc(NC(=O)c2cnn3c2C[C@H](C)CC3)[n-]1 ZINC000514730236 360366354 /nfs/dbraw/zinc/36/63/54/360366354.db2.gz KQPRYTSXEUNEHZ-SSDOTTSWSA-N -1 3 292.368 1.558 10 0 CDAEHM CSc1n[n-]c(NC(=O)c2cnn3c2C[C@H](C)CC3)n1 ZINC000514730236 360366358 /nfs/dbraw/zinc/36/63/58/360366358.db2.gz KQPRYTSXEUNEHZ-SSDOTTSWSA-N -1 3 292.368 1.558 10 0 CDAEHM CSc1nc(NC(=O)c2cnn3c2C[C@H](C)CC3)n[n-]1 ZINC000514730236 360366361 /nfs/dbraw/zinc/36/63/61/360366361.db2.gz KQPRYTSXEUNEHZ-SSDOTTSWSA-N -1 3 292.368 1.558 10 0 CDAEHM CC1(C2([N-]S(=O)(=O)c3ccccn3)CC2)CC1 ZINC000514993750 360416441 /nfs/dbraw/zinc/41/64/41/360416441.db2.gz KYGORIAQQZKISU-UHFFFAOYSA-N -1 3 252.339 1.693 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000177548800 189056687 /nfs/dbraw/zinc/05/66/87/189056687.db2.gz UMYKXROAFMCAEZ-NSHDSACASA-N -1 3 272.308 1.557 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338211472 360773000 /nfs/dbraw/zinc/77/30/00/360773000.db2.gz ISISFIKFEZUIBJ-CYBMUJFWSA-N -1 3 275.304 1.212 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCN(C2CCC2)CC1 ZINC000179007916 189160985 /nfs/dbraw/zinc/16/09/85/189160985.db2.gz OQYJANZGWPDUTI-UHFFFAOYSA-N -1 3 260.337 1.703 10 0 CDAEHM CCc1ccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c([O-])c1 ZINC000408410320 360853438 /nfs/dbraw/zinc/85/34/38/360853438.db2.gz NVNAVEJRYZVSJU-FPMFFAJLSA-N -1 3 275.348 1.798 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)[n-]1 ZINC000179371325 189189300 /nfs/dbraw/zinc/18/93/00/189189300.db2.gz YOYIXDDNEQEJPV-WDEREUQCSA-N -1 3 272.308 1.864 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)n[n-]1 ZINC000179371325 189189301 /nfs/dbraw/zinc/18/93/01/189189301.db2.gz YOYIXDDNEQEJPV-WDEREUQCSA-N -1 3 272.308 1.864 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)n1 ZINC000179371325 189189302 /nfs/dbraw/zinc/18/93/02/189189302.db2.gz YOYIXDDNEQEJPV-WDEREUQCSA-N -1 3 272.308 1.864 10 0 CDAEHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC2(C1)CCCO2 ZINC000628784892 361088465 /nfs/dbraw/zinc/08/84/65/361088465.db2.gz LXFSISJQMFUIEY-UHFFFAOYSA-N -1 3 284.315 1.533 10 0 CDAEHM C[C@@H]1CCC[C@H]1CNC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000338921938 361132751 /nfs/dbraw/zinc/13/27/51/361132751.db2.gz PWGRMAOARCEGMM-ZJUUUORDSA-N -1 3 278.356 1.414 10 0 CDAEHM C[C@@H](F)CC[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000339035015 361227376 /nfs/dbraw/zinc/22/73/76/361227376.db2.gz ZCAIHEBASMVNPT-LLVKDONJSA-N -1 3 297.355 1.899 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-][C@H](C)C(C)(C)C)nc1C ZINC000519411911 361304144 /nfs/dbraw/zinc/30/41/44/361304144.db2.gz ZWUINMJDDIJPSQ-SECBINFHSA-N -1 3 273.402 1.924 10 0 CDAEHM CCCC(=O)N[C@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000182287957 189318816 /nfs/dbraw/zinc/31/88/16/189318816.db2.gz DDYNPVBOCZWWEH-ZDUSSCGKSA-N -1 3 290.363 1.913 10 0 CDAEHM CCN=c1[n-]c(C(=O)N[C@@H]2C[C@H](C)O[C@H]2C)cs1 ZINC000634029661 361360188 /nfs/dbraw/zinc/36/01/88/361360188.db2.gz GZAVLDWSWZATCW-XHNCKOQMSA-N 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BYARIGZPIBSSJV-ZDUSSCGKSA-N -1 3 271.316 1.726 10 0 CDAEHM CC[C@](COC)(NC(=O)c1cccc([O-])c1)C(=O)OC ZINC000457256567 363973901 /nfs/dbraw/zinc/97/39/01/363973901.db2.gz JTOISOGXSPGCEQ-CQSZACIVSA-N -1 3 281.308 1.090 10 0 CDAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C)[C@H](C)CO)s1 ZINC000269734939 364324493 /nfs/dbraw/zinc/32/44/93/364324493.db2.gz CYDCAISYGAZHLL-RQJHMYQMSA-N -1 3 278.399 1.055 10 0 CDAEHM COCCC1(C)CN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000451812197 364286431 /nfs/dbraw/zinc/28/64/31/364286431.db2.gz SITPOKZZGVEJEF-UHFFFAOYSA-N -1 3 281.327 1.959 10 0 CDAEHM CO[C@@H](C)CS(=O)(=O)[N-][C@H](c1nccs1)C1CC1 ZINC000170620340 364422377 /nfs/dbraw/zinc/42/23/77/364422377.db2.gz MXSIAPRZVGTZSP-WPRPVWTQSA-N -1 3 290.410 1.549 10 0 CDAEHM C[C@@H](C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)C(F)(F)F ZINC000352989302 364698015 /nfs/dbraw/zinc/69/80/15/364698015.db2.gz MLPPCOSPBLLTFW-POYBYMJQSA-N -1 3 277.246 1.820 10 0 CDAEHM Cc1ncncc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352989966 364698282 /nfs/dbraw/zinc/69/82/82/364698282.db2.gz MPOHOEAUIHSRNA-NSHDSACASA-N -1 3 273.296 1.034 10 0 CDAEHM C[C@H](C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)C(F)(F)F ZINC000352989301 364698666 /nfs/dbraw/zinc/69/86/66/364698666.db2.gz MLPPCOSPBLLTFW-HTRCEHHLSA-N -1 3 277.246 1.820 10 0 CDAEHM CCO[C@H](C)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352993663 364700776 /nfs/dbraw/zinc/70/07/76/364700776.db2.gz RODMTAIIOMXGBV-PSASIEDQSA-N -1 3 253.302 1.047 10 0 CDAEHM Cc1ccc(C(=O)C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1 ZINC000352994939 364701549 /nfs/dbraw/zinc/70/15/49/364701549.db2.gz ZJHKSEAMUGPISO-ZDUSSCGKSA-N -1 3 299.330 1.813 10 0 CDAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1c[nH]nc1C1CC1 ZINC000352996827 364702374 /nfs/dbraw/zinc/70/23/74/364702374.db2.gz ZRWMAVGOKHRVBD-NSHDSACASA-N -1 3 287.323 1.536 10 0 CDAEHM COc1cccc(C(=O)N[C@H]2CC(C)(C)OC2=O)c1[O-] ZINC000271026215 364879372 /nfs/dbraw/zinc/87/93/72/364879372.db2.gz OPSHCKYGEQNQTG-VIFPVBQESA-N -1 3 279.292 1.225 10 0 CDAEHM Cc1cccc(CNC(=O)c2ccc(O)cc2[O-])n1 ZINC000179440447 364991677 /nfs/dbraw/zinc/99/16/77/364991677.db2.gz LRMKPLTXSHUOOD-UHFFFAOYSA-N -1 3 258.277 1.731 10 0 CDAEHM COc1cccc(CNC(=O)c2csc(=O)[n-]2)n1 ZINC000471966007 365035030 /nfs/dbraw/zinc/03/50/30/365035030.db2.gz UUQNARMRRAQVPN-UHFFFAOYSA-N -1 3 265.294 1.182 10 0 CDAEHM CCCC[C@H](COC)[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000353377020 365170194 /nfs/dbraw/zinc/17/01/94/365170194.db2.gz CXAMWMJVDCKKQA-LLVKDONJSA-N -1 3 289.401 1.387 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2cnn(CC(F)F)c2)c[n-]1 ZINC000340440537 370813274 /nfs/dbraw/zinc/81/32/74/370813274.db2.gz CSHJJJDPCQMYME-UHFFFAOYSA-N -1 3 298.249 1.515 10 0 CDAEHM CCc1cc(=O)[n-]c(CN(C)[C@H]2CC[C@H](O)CC2)n1 ZINC000275855860 193147662 /nfs/dbraw/zinc/14/76/62/193147662.db2.gz LTPKKXRAODVJJO-HAQNSBGRSA-N -1 3 265.357 1.480 10 0 CDAEHM COc1cc(S(=O)(=O)[N-]CC(F)F)ccc1Cl ZINC000414449784 241206151 /nfs/dbraw/zinc/20/61/51/241206151.db2.gz DDWXYMZSXCGRTQ-UHFFFAOYSA-N -1 3 285.699 1.892 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2)o1 ZINC000358468459 367706118 /nfs/dbraw/zinc/70/61/18/367706118.db2.gz ZIWJCFZSRUVKIH-LBPRGKRZSA-N -1 3 299.323 1.739 10 0 CDAEHM CON(CC1CCOCC1)C(=O)c1cccc([O-])c1 ZINC000282533457 367929954 /nfs/dbraw/zinc/92/99/54/367929954.db2.gz VETXJMAQBVIRGK-UHFFFAOYSA-N -1 3 265.309 1.822 10 0 CDAEHM Cc1cnc(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c([O-])c1 ZINC000358709754 367890755 /nfs/dbraw/zinc/89/07/55/367890755.db2.gz RZAAFDUBHRRYJG-YPMHNXCESA-N -1 3 291.395 1.946 10 0 CDAEHM Cc1c([O-])ccc2c(C[N@@H+](C)[C@@H](C)CO)cc(=O)oc12 ZINC000282734419 368013893 /nfs/dbraw/zinc/01/38/93/368013893.db2.gz ISCTYKAWJXMSDV-VIFPVBQESA-N -1 3 277.320 1.620 10 0 CDAEHM Cc1c([O-])ccc2c(CN(C)[C@@H](C)CO)cc(=O)oc12 ZINC000282734419 368013900 /nfs/dbraw/zinc/01/39/00/368013900.db2.gz ISCTYKAWJXMSDV-VIFPVBQESA-N -1 3 277.320 1.620 10 0 CDAEHM COc1cc(C(=O)NCC2(C)COC2)ccc1[O-] ZINC000275945529 193170365 /nfs/dbraw/zinc/17/03/65/193170365.db2.gz FOBYLVFZBMIIPB-UHFFFAOYSA-N -1 3 251.282 1.167 10 0 CDAEHM COC[C@H](C)[C@@H](C)C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000360144367 368141092 /nfs/dbraw/zinc/14/10/92/368141092.db2.gz VHRXMAIQRHBEQH-WDEREUQCSA-N -1 3 288.351 1.751 10 0 CDAEHM O=S(=O)([N-]CCCCF)c1cnn(-c2ccccc2)c1 ZINC000360245201 368193048 /nfs/dbraw/zinc/19/30/48/368193048.db2.gz LSOULAWFORVLSY-UHFFFAOYSA-N -1 3 297.355 1.900 10 0 CDAEHM CC[C@H](C)[C@H](OC)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000360314006 368226348 /nfs/dbraw/zinc/22/63/48/368226348.db2.gz DMDJXKXYFRHTAD-GAFUQQFSSA-N -1 3 281.356 1.683 10 0 CDAEHM COC[C@H](C)S(=O)(=O)[N-][C@@H](CO)c1sccc1C ZINC000125276602 368228526 /nfs/dbraw/zinc/22/85/26/368228526.db2.gz GFEWKBCVWLFVOW-UWVGGRQHSA-N -1 3 293.410 1.044 10 0 CDAEHM C[C@@H]1CN[C@@H](C)CN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000312908165 368396632 /nfs/dbraw/zinc/39/66/32/368396632.db2.gz ZUUYNNPSWHHWBK-WDEREUQCSA-N -1 3 276.336 1.136 10 0 CDAEHM Cc1nnc([N-]C(=O)c2cnc(OCC3CC3)cn2)s1 ZINC000284075853 368469740 /nfs/dbraw/zinc/46/97/40/368469740.db2.gz ZLUYTBPLFSRCQR-UHFFFAOYSA-N -1 3 291.336 1.678 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCO[C@@]2(CCCOC2)C1 ZINC000285790946 368659169 /nfs/dbraw/zinc/65/91/69/368659169.db2.gz DDOIUKWQINVGFW-HNNXBMFYSA-N -1 3 277.320 1.414 10 0 CDAEHM Cc1nn(C)c(C)c1NC(=O)c1cccc2nn[n-]c21 ZINC000543749560 368969395 /nfs/dbraw/zinc/96/93/95/368969395.db2.gz JAPWEHOVMZAMHB-UHFFFAOYSA-N -1 3 270.296 1.561 10 0 CDAEHM Cc1nn(C)c(C)c1NC(=O)c1cccc2[n-]nnc21 ZINC000543749560 368969399 /nfs/dbraw/zinc/96/93/99/368969399.db2.gz JAPWEHOVMZAMHB-UHFFFAOYSA-N -1 3 270.296 1.561 10 0 CDAEHM Cc1nn(C)c(C)c1NC(=O)c1cccc2n[n-]nc21 ZINC000543749560 368969404 /nfs/dbraw/zinc/96/94/04/368969404.db2.gz JAPWEHOVMZAMHB-UHFFFAOYSA-N -1 3 270.296 1.561 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)CCCO)o1 ZINC000330654928 203082691 /nfs/dbraw/zinc/08/26/91/203082691.db2.gz NOKXKFUVQPTHMQ-UHFFFAOYSA-N -1 3 275.370 1.665 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](C(N)=O)C(C)(C)C)o1 ZINC000330657631 203084973 /nfs/dbraw/zinc/08/49/73/203084973.db2.gz PVIQIFZAOIMIBG-SECBINFHSA-N -1 3 274.342 1.816 10 0 CDAEHM CO[C@H]1C[C@@H](N(C)C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000287634391 369262203 /nfs/dbraw/zinc/26/22/03/369262203.db2.gz ZSAFPNJOPIYHHS-PHIMTYICSA-N -1 3 282.315 1.850 10 0 CDAEHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@]12CCC[C@H]1OCC2 ZINC000630621423 369437257 /nfs/dbraw/zinc/43/72/57/369437257.db2.gz GOPFKJVIHCUAPA-DOMZBBRYSA-N -1 3 299.334 1.764 10 0 CDAEHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@]12CCC[C@H]1OCC2 ZINC000630621423 369437261 /nfs/dbraw/zinc/43/72/61/369437261.db2.gz GOPFKJVIHCUAPA-DOMZBBRYSA-N -1 3 299.334 1.764 10 0 CDAEHM COc1cc(=NC(=O)NCc2ccc(F)cc2)[n-]n1C ZINC000547514848 369576073 /nfs/dbraw/zinc/57/60/73/369576073.db2.gz ZDXCAZGYKZZZTA-UHFFFAOYSA-N -1 3 278.287 1.311 10 0 CDAEHM COCCOCCOCCN(C)C(=O)c1cccc([O-])c1 ZINC000276298773 193276191 /nfs/dbraw/zinc/27/61/91/193276191.db2.gz XYBRANHCCOLAFI-UHFFFAOYSA-N -1 3 297.351 1.144 10 0 CDAEHM COc1ncccc1CC[N-]S(=O)(=O)c1ccco1 ZINC000289600492 369587768 /nfs/dbraw/zinc/58/77/68/369587768.db2.gz RNCBTSTVSYMWRX-UHFFFAOYSA-N -1 3 282.321 1.204 10 0 CDAEHM COCc1nc(CNCc2nc(C)ccc2[O-])cs1 ZINC000289746952 369645619 /nfs/dbraw/zinc/64/56/19/369645619.db2.gz HYZWLPZVBIBTLP-UHFFFAOYSA-N -1 3 279.365 1.988 10 0 CDAEHM CC[C@@H]1CCC[C@@H]1NC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000547839206 369664917 /nfs/dbraw/zinc/66/49/17/369664917.db2.gz PGVLRMARIQUOGW-ZJUUUORDSA-N -1 3 266.345 1.551 10 0 CDAEHM COc1cc(=NC(=O)N2Cc3ccccc3[C@@H]2C)[n-]n1C ZINC000547840305 369665076 /nfs/dbraw/zinc/66/50/76/369665076.db2.gz LXJHSRNZEVRFJA-JTQLQIEISA-N -1 3 286.335 1.959 10 0 CDAEHM CC[C@@H]1[C@H](C)CCN1C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000547838728 369665337 /nfs/dbraw/zinc/66/53/37/369665337.db2.gz YDPGZQPXJDRXIH-NXEZZACHSA-N -1 3 266.345 1.503 10 0 CDAEHM COc1cc(=NC(=O)NC2Cc3ccccc3C2)[n-]n1C ZINC000547840193 369665673 /nfs/dbraw/zinc/66/56/73/369665673.db2.gz XHSDMNGJAICJJT-UHFFFAOYSA-N -1 3 286.335 1.140 10 0 CDAEHM 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CDAEHM COC(=O)c1ccc(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)[nH]1 ZINC000565716557 370515149 /nfs/dbraw/zinc/51/51/49/370515149.db2.gz UDAJIXKCJLZMIE-MWLCHTKSSA-N -1 3 280.324 1.344 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1CC=CCC1 ZINC000295560653 371342313 /nfs/dbraw/zinc/34/23/13/371342313.db2.gz KYYBEUNFTWIUDN-LLVKDONJSA-N -1 3 282.365 1.867 10 0 CDAEHM O=c1cc(CN2CCO[C@@]3(CCOC3)C2)nc(C2CC2)[n-]1 ZINC000573451854 371548402 /nfs/dbraw/zinc/54/84/02/371548402.db2.gz NLMMMOXFYYRXPP-HNNXBMFYSA-N -1 3 291.351 1.051 10 0 CDAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CCOCC2(CC2)C1 ZINC000328662093 296179450 /nfs/dbraw/zinc/17/94/50/296179450.db2.gz XDHUMUULMNHPOT-UHFFFAOYSA-N -1 3 290.298 1.350 10 0 CDAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CCOCC2(CC2)C1 ZINC000328662093 296179452 /nfs/dbraw/zinc/17/94/52/296179452.db2.gz XDHUMUULMNHPOT-UHFFFAOYSA-N -1 3 290.298 1.350 10 0 CDAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CCOCC2(CC2)C1 ZINC000328662093 296179454 /nfs/dbraw/zinc/17/94/54/296179454.db2.gz XDHUMUULMNHPOT-UHFFFAOYSA-N 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/nfs/dbraw/zinc/03/06/13/373030613.db2.gz ARGDYZOHYDMEHK-MRVPVSSYSA-N -1 3 252.318 1.968 10 0 CDAEHM COC1(CS(=O)(=O)[N-]Cc2c(C)noc2C)CCC1 ZINC000631797101 373515959 /nfs/dbraw/zinc/51/59/59/373515959.db2.gz MBHYLKCEALNUHD-UHFFFAOYSA-N -1 3 288.369 1.280 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2ccc3c(c2)ncn3C)c[n-]1 ZINC000341552402 373786547 /nfs/dbraw/zinc/78/65/47/373786547.db2.gz SLABZUZPMDOPSJ-UHFFFAOYSA-N -1 3 298.302 1.940 10 0 CDAEHM CCCn1c(=O)[n-]nc1SC[C@@H]1CCO[C@H]1C ZINC000631004463 374173736 /nfs/dbraw/zinc/17/37/36/374173736.db2.gz UQVYBCHBMIOAOZ-IUCAKERBSA-N -1 3 257.359 1.911 10 0 CDAEHM CCOC(=O)[C@@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000042714846 374859384 /nfs/dbraw/zinc/85/93/84/374859384.db2.gz DGUPHGWEPXBVHD-LBPRGKRZSA-N -1 3 263.293 1.560 10 0 CDAEHM CO[C@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)C1CCCC1 ZINC000667013591 483051790 /nfs/dbraw/zinc/05/17/90/483051790.db2.gz CLUJJXDDJVGQFD-ZETCQYMHSA-N -1 3 292.261 1.967 10 0 CDAEHM CO[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)C1CCCC1 ZINC000667013591 483051797 /nfs/dbraw/zinc/05/17/97/483051797.db2.gz CLUJJXDDJVGQFD-ZETCQYMHSA-N -1 3 292.261 1.967 10 0 CDAEHM CC(C)[C@H]1C[C@@H](CNC(=O)c2cc(=O)[n-]cn2)CCO1 ZINC000627625029 375449745 /nfs/dbraw/zinc/44/97/45/375449745.db2.gz QJOFJCMQUXRQHO-CMPLNLGQSA-N -1 3 279.340 1.363 10 0 CDAEHM C[C@@H]1N(Cc2ccccc2)CC[C@@]12N[C@H](C(=O)[O-])CS2 ZINC000306348353 375737233 /nfs/dbraw/zinc/73/72/33/375737233.db2.gz SXTWGDVJJBDNCA-WHOFXGATSA-N -1 3 292.404 1.767 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)CCN1CCO ZINC000330568951 376271240 /nfs/dbraw/zinc/27/12/40/376271240.db2.gz MTBOYIHOFVRVIS-SNVBAGLBSA-N -1 3 298.770 1.184 10 0 CDAEHM O=C(NCc1ncccc1[O-])[C@@H](O)C1CCCCC1 ZINC000331027036 376400042 /nfs/dbraw/zinc/40/00/42/376400042.db2.gz VQFMPNRCXNDCPK-ZDUSSCGKSA-N -1 3 264.325 1.345 10 0 CDAEHM O=c1[nH]cc(S(=O)(=O)[N-]CC2CCSCC2)s1 ZINC000631962117 376853134 /nfs/dbraw/zinc/85/31/34/376853134.db2.gz DEFWVBMLGJNPRB-UHFFFAOYSA-N -1 3 294.423 1.270 10 0 CDAEHM COc1nnc(NC(=O)c2csc(C(C)=O)c2)[n-]1 ZINC000344853099 376922091 /nfs/dbraw/zinc/92/20/91/376922091.db2.gz PGDLOTSYVIKEDF-UHFFFAOYSA-N -1 3 266.282 1.330 10 0 CDAEHM COc1nc(NC(=O)c2csc(C(C)=O)c2)n[n-]1 ZINC000344853099 376922096 /nfs/dbraw/zinc/92/20/96/376922096.db2.gz PGDLOTSYVIKEDF-UHFFFAOYSA-N -1 3 266.282 1.330 10 0 CDAEHM COc1n[n-]c(NC(=O)c2csc(C(C)=O)c2)n1 ZINC000344853099 376922099 /nfs/dbraw/zinc/92/20/99/376922099.db2.gz PGDLOTSYVIKEDF-UHFFFAOYSA-N -1 3 266.282 1.330 10 0 CDAEHM CCC(C)(C)NC(=O)CN1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000331344375 376925549 /nfs/dbraw/zinc/92/55/49/376925549.db2.gz USOXCEYQRKVOOD-JTQLQIEISA-N -1 3 296.371 1.259 10 0 CDAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C1CC=CC1 ZINC000632101560 377009244 /nfs/dbraw/zinc/00/92/44/377009244.db2.gz XQVGEPKWDMHNRZ-UHFFFAOYSA-N -1 3 295.286 1.436 10 0 CDAEHM O=c1[nH]cc(S(=O)(=O)[N-]C2CCC3(CC3)CC2)s1 ZINC000632278863 377230908 /nfs/dbraw/zinc/23/09/08/377230908.db2.gz CSWUIYNSTCKBJO-UHFFFAOYSA-N -1 3 288.394 1.850 10 0 CDAEHM 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CC[C@H](C)[C@H](NC(=O)NC[C@@H]1CCCCN1C)C(=O)[O-] ZINC000044565476 175208356 /nfs/dbraw/zinc/20/83/56/175208356.db2.gz HWTOZICATZHATJ-SRVKXCTJSA-N -1 3 285.388 1.269 10 0 CDAEHM CCCNCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000044649294 175224380 /nfs/dbraw/zinc/22/43/80/175224380.db2.gz FCZYUNWAJBFUCH-UHFFFAOYSA-N -1 3 270.716 1.976 10 0 CDAEHM Cc1nnc(SCC(=O)[O-])n1[C@@H]1CCN(C2CC2)C1 ZINC000044726425 175238441 /nfs/dbraw/zinc/23/84/41/175238441.db2.gz QPOQBWXETRGBJD-SNVBAGLBSA-N -1 3 282.369 1.172 10 0 CDAEHM CCc1nnc(SCC(=O)[O-])n1[C@H]1CCN(C2CC2)C1 ZINC000044726428 175238634 /nfs/dbraw/zinc/23/86/34/175238634.db2.gz LAQAXWRCXRROIU-JTQLQIEISA-N -1 3 296.396 1.426 10 0 CDAEHM C[C@@H](CNC(=O)N1CCC[C@@H]1C(=O)[O-])N1CCCCC1 ZINC000045013430 175290585 /nfs/dbraw/zinc/29/05/85/175290585.db2.gz SUJCAACDIDZRAG-NWDGAFQWSA-N -1 3 283.372 1.119 10 0 CDAEHM C[C@H](CNC(=O)Nc1ccc(O)c(C(=O)[O-])c1)N(C)C ZINC000045112024 175310575 /nfs/dbraw/zinc/31/05/75/175310575.db2.gz ODQUIHFDQMMKTB-MRVPVSSYSA-N -1 3 281.312 1.162 10 0 CDAEHM O=C([O-])[C@](CN1CCOCC1)(NC1CC1)c1ccccc1 ZINC000045226058 175332678 /nfs/dbraw/zinc/33/26/78/175332678.db2.gz ILPUGIJNTHXCOJ-MRXNPFEDSA-N -1 3 290.363 1.051 10 0 CDAEHM O=C([O-])C1CN(CCSc2ccc(F)cc2)C1 ZINC000071173629 176053943 /nfs/dbraw/zinc/05/39/43/176053943.db2.gz UJCYTJXREBWUJP-UHFFFAOYSA-N -1 3 255.314 1.934 10 0 CDAEHM CC[C@@H]1CCC[C@H](N2CCNC(=O)[C@@H]2CC(=O)[O-])C1 ZINC000071248290 176095108 /nfs/dbraw/zinc/09/51/08/176095108.db2.gz YKWRULWTYRMGDI-WOPDTQHZSA-N -1 3 268.357 1.230 10 0 CDAEHM COc1cc(Br)ccc1[C@H](N)C(=O)[O-] ZINC000072196762 176338553 /nfs/dbraw/zinc/33/85/53/176338553.db2.gz SUPHFMGQTWCOBY-QMMMGPOBSA-N -1 3 260.087 1.542 10 0 CDAEHM CCC[C@@H](C)[C@H](CO)NC(=O)c1cc(OC)ccc1[O-] ZINC000517577830 260195334 /nfs/dbraw/zinc/19/53/34/260195334.db2.gz ANDBVHVUJMXWMV-MFKMUULPSA-N -1 3 281.352 1.928 10 0 CDAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@@H]1CCCCO1 ZINC000525967638 262358635 /nfs/dbraw/zinc/35/86/35/262358635.db2.gz XDUHQVUEBCBLJV-MNOVXSKESA-N -1 3 265.313 1.191 10 0 CDAEHM CCc1ccc(C(=O)NC[C@](C)(CO)OC)c([O-])c1 ZINC000655218557 423885530 /nfs/dbraw/zinc/88/55/30/423885530.db2.gz FNEZQCIHQMVDPP-CQSZACIVSA-N -1 3 267.325 1.082 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@@H](O)C(F)(F)C2)n1 ZINC000661407569 424324561 /nfs/dbraw/zinc/32/45/61/424324561.db2.gz NDHFAJBSFAICGV-RKDXNWHRSA-N -1 3 273.283 1.254 10 0 CDAEHM CN(CCOc1ccccc1C(=O)[O-])C[C@H]1CCCO1 ZINC000048948515 424340360 /nfs/dbraw/zinc/34/03/60/424340360.db2.gz IOQXKWMYYQKYEI-GFCCVEGCSA-N -1 3 279.336 1.874 10 0 CDAEHM C[C@@H](CN(C)Cc1ccccc1)NC(=O)CCC(=O)[O-] ZINC000309852277 424521593 /nfs/dbraw/zinc/52/15/93/424521593.db2.gz BCKBCAPZWLUXTJ-LBPRGKRZSA-N -1 3 278.352 1.488 10 0 CDAEHM Cc1cncc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1 ZINC000525967071 270628478 /nfs/dbraw/zinc/62/84/78/270628478.db2.gz OLFFMQBJMQVOQD-GFCCVEGCSA-N -1 3 272.308 1.639 10 0 CDAEHM C[C@]1(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)CCCO1 ZINC000526959269 270650690 /nfs/dbraw/zinc/65/06/90/270650690.db2.gz CLPIRTXFGRFFAT-GXFFZTMASA-N -1 3 265.313 1.191 10 0 CDAEHM CCc1ccc([O-])c(C(=O)NCc2cnn(CC)n2)c1 ZINC000529587987 270997012 /nfs/dbraw/zinc/99/70/12/270997012.db2.gz MTSUNLYZWCJBEE-UHFFFAOYSA-N -1 3 274.324 1.496 10 0 CDAEHM COc1ccc([O-])c(C(=O)NCC[C@H]2CCCOC2)c1 ZINC000529603290 271003390 /nfs/dbraw/zinc/00/33/90/271003390.db2.gz VUEXMBVERSCRGB-LLVKDONJSA-N -1 3 279.336 1.947 10 0 CDAEHM CCc1cc(C(=O)NC[C@@H](O)[C@H]2CCCO2)ccc1[O-] ZINC000529764689 271030793 /nfs/dbraw/zinc/03/07/93/271030793.db2.gz BFOZAZUPRCMBKB-ZIAGYGMSSA-N -1 3 279.336 1.224 10 0 CDAEHM CC(C)(CNC(=O)c1cccc([O-])c1)C(=O)N1CCCC1 ZINC000530087258 271101439 /nfs/dbraw/zinc/10/14/39/271101439.db2.gz OQYVQUQIFRNIBD-UHFFFAOYSA-N -1 3 290.363 1.771 10 0 CDAEHM CN(C)C1CN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000273314280 276774700 /nfs/dbraw/zinc/77/47/00/276774700.db2.gz IWUNVOJMVVTFDJ-UHFFFAOYSA-N -1 3 274.364 1.657 10 0 CDAEHM C[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)C2)c2c([O-])cccc21 ZINC000186258234 277744319 /nfs/dbraw/zinc/74/43/19/277744319.db2.gz SQRABVVVIGPRJA-ZJUUUORDSA-N -1 3 274.320 1.369 10 0 CDAEHM COc1nc(NC(=O)c2coc(-c3ccccc3)n2)n[n-]1 ZINC000182983110 278086498 /nfs/dbraw/zinc/08/64/98/278086498.db2.gz XLVCYTKDNNJZSZ-UHFFFAOYSA-N -1 3 285.263 1.721 10 0 CDAEHM CC1(C)CCCC[C@@H]1C(=O)Nc1[n-]nnc1C(N)=O ZINC000297807833 278202762 /nfs/dbraw/zinc/20/27/62/278202762.db2.gz PFCQGHXZBGWUOW-SSDOTTSWSA-N -1 3 265.317 1.059 10 0 CDAEHM CC1(C)CCCC[C@@H]1C(=O)Nc1nn[n-]c1C(N)=O ZINC000297807833 278202764 /nfs/dbraw/zinc/20/27/64/278202764.db2.gz PFCQGHXZBGWUOW-SSDOTTSWSA-N -1 3 265.317 1.059 10 0 CDAEHM CC1(C)CCCC[C@@H]1C(=O)Nc1n[n-]nc1C(N)=O ZINC000297807833 278202767 /nfs/dbraw/zinc/20/27/67/278202767.db2.gz PFCQGHXZBGWUOW-SSDOTTSWSA-N -1 3 265.317 1.059 10 0 CDAEHM CC(C)CN(CCN(C)C)C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000068688472 278859087 /nfs/dbraw/zinc/85/90/87/278859087.db2.gz MCZWWKSXKQSXIN-NWDGAFQWSA-N -1 3 284.400 1.389 10 0 CDAEHM CC(C)N(C)CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000248535132 279352321 /nfs/dbraw/zinc/35/23/21/279352321.db2.gz JWHVELWMAZQQMD-UPJWGTAASA-N -1 3 282.384 1.571 10 0 CDAEHM C[C@@H]1CN(S(=O)(=O)c2ccc([O-])cc2)CC(C)(C)O1 ZINC000041682190 288241757 /nfs/dbraw/zinc/24/17/57/288241757.db2.gz WVXHUFUYBDTFRO-SNVBAGLBSA-N -1 3 285.365 1.580 10 0 CDAEHM Cc1cc(C(=O)N2CC[C@@H](Nc3ncccn3)C2)ccc1[O-] ZINC000517237697 280989133 /nfs/dbraw/zinc/98/91/33/280989133.db2.gz OMKCEQYOPVIADU-CYBMUJFWSA-N -1 3 298.346 1.817 10 0 CDAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1[C@@H](C)C[C@@H]1C ZINC000527479713 281143087 /nfs/dbraw/zinc/14/30/87/281143087.db2.gz BHARYCZQOHBKCD-YUMQZZPRSA-N -1 3 296.348 1.483 10 0 CDAEHM C[C@@H]1C[C@H](C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)CCO1 ZINC000527499138 281145438 /nfs/dbraw/zinc/14/54/38/281145438.db2.gz LVRALKSVTGZEIO-CKYFFXLPSA-N -1 3 279.340 1.437 10 0 CDAEHM CC(C)c1n[nH]cc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527499755 281145658 /nfs/dbraw/zinc/14/56/58/281145658.db2.gz WQFXQTVPFFZMMQ-LLVKDONJSA-N -1 3 289.339 1.782 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC000529990043 281408887 /nfs/dbraw/zinc/40/88/87/281408887.db2.gz ZZMBPSAMTAGXME-RBQUTUCGSA-N -1 3 279.336 1.943 10 0 CDAEHM Cc1ncc(Cl)c(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)n1 ZINC000531480145 281779303 /nfs/dbraw/zinc/77/93/03/281779303.db2.gz OVSUMLATMYOPBQ-UHFFFAOYSA-N -1 3 295.686 1.200 10 0 CDAEHM CCCn1c(SC[C@@H](C)CS(C)(=O)=O)n[n-]c1=O ZINC000154959222 289223763 /nfs/dbraw/zinc/22/37/63/289223763.db2.gz DRTRZHPNMGSCQL-MRVPVSSYSA-N -1 3 293.414 1.167 10 0 CDAEHM COc1cc(=NC(=O)CCCC[C@@H](C)C(C)=O)[n-]n1C ZINC000547493039 289780152 /nfs/dbraw/zinc/78/01/52/289780152.db2.gz LRIAYCSLCOQDQO-SNVBAGLBSA-N -1 3 281.356 1.575 10 0 CDAEHM COc1cc(=NC(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)[n-]n1C ZINC000547514753 289782955 /nfs/dbraw/zinc/78/29/55/289782955.db2.gz KZUFLIIOAFKHTL-OTYXRUKQSA-N -1 3 296.371 1.176 10 0 CDAEHM 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ZINC000581648930 324803264 /nfs/dbraw/zinc/80/32/64/324803264.db2.gz NOKKIQYCRZKMQV-UHFFFAOYSA-N -1 3 299.396 1.164 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1cscn1)C(=O)OC(C)(C)C ZINC000583438653 325175177 /nfs/dbraw/zinc/17/51/77/325175177.db2.gz XHEJJEGVILRJHT-SSDOTTSWSA-N -1 3 292.382 1.152 10 0 CDAEHM C[C@@H](CCCCO)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000398583578 1160138323 /nfs/dbraw/zinc/13/83/23/1160138323.db2.gz MROCPIXTSYMVPJ-NSHDSACASA-N -1 3 288.347 1.809 10 0 CDAEHM Cc1ccc([O-])c(CN2CCn3c(nnc3C(F)F)C2)n1 ZINC000668799833 482331394 /nfs/dbraw/zinc/33/13/94/482331394.db2.gz FHJXFOQAUVURQI-UHFFFAOYSA-N -1 3 295.293 1.641 10 0 CDAEHM CC(C)c1nc(S(=O)(=O)[N-][C@H]2CSC2(C)C)c[nH]1 ZINC000669983597 482586464 /nfs/dbraw/zinc/58/64/64/482586464.db2.gz NHIYGDLQMVPOED-QMMMGPOBSA-N -1 3 289.426 1.705 10 0 CDAEHM CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000094704045 482802454 /nfs/dbraw/zinc/80/24/54/482802454.db2.gz WNOJWVOSKIDUDX-HBNTYKKESA-N -1 3 258.362 1.223 10 0 CDAEHM Cn1cc(Br)c(=NC(=O)[C@@H]2CC23CC3)[n-]1 ZINC000335391148 482825181 /nfs/dbraw/zinc/82/51/81/482825181.db2.gz APMMQQDFMISVMR-LURJTMIESA-N -1 3 270.130 1.343 10 0 CDAEHM Cc1cnc([N-]C(=O)c2nnn(C(C)(C)C)n2)s1 ZINC000666728155 482882061 /nfs/dbraw/zinc/88/20/61/482882061.db2.gz GSMLDZHOHONYAD-UHFFFAOYSA-N -1 3 266.330 1.445 10 0 CDAEHM CC[C@H](CN1CCCC1)NC(=O)c1ncc(C)cc1[O-] ZINC000681731989 482978491 /nfs/dbraw/zinc/97/84/91/482978491.db2.gz KNVFDJFYMXVADH-GFCCVEGCSA-N -1 3 277.368 1.700 10 0 CDAEHM O=C(N[C@H]1CCc2cncn2C1)c1ccccc1[O-] ZINC000672157167 483659658 /nfs/dbraw/zinc/65/96/58/483659658.db2.gz WLXDIGSSMQQJSB-JTQLQIEISA-N -1 3 257.293 1.334 10 0 CDAEHM CC(C)[C@@H](CN(C)C)NC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000062933297 519793422 /nfs/dbraw/zinc/79/34/22/519793422.db2.gz BKRLJKUZNMZQHV-BXUZGUMPSA-N -1 3 285.388 1.079 10 0 CDAEHM CCCN(CCN(C)C)C(=O)N(CC)C[C@@H](C)C(=O)[O-] ZINC000061226605 521654244 /nfs/dbraw/zinc/65/42/44/521654244.db2.gz PLJNIOOVPOPEPB-GFCCVEGCSA-N -1 3 287.404 1.423 10 0 CDAEHM CC(C)C[C@@H](CN(C)C)NC(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000049560868 519775466 /nfs/dbraw/zinc/77/54/66/519775466.db2.gz SFQFHWOZPTXGIQ-WFASDCNBSA-N -1 3 299.415 1.515 10 0 CDAEHM CCN(C(=O)N1CCC[C@H]1CN(C)C)[C@H](C)CC(=O)[O-] ZINC000061654031 519949365 /nfs/dbraw/zinc/94/93/65/519949365.db2.gz VOMCJJXLYRKDGO-NEPJUHHUSA-N -1 3 285.388 1.318 10 0 CDAEHM CCN(C(=O)NC[C@H]1CCCN1CC)[C@@H](C)CC(=O)[O-] ZINC000061213300 519966361 /nfs/dbraw/zinc/96/63/61/519966361.db2.gz IKJMNMGEWABMTN-NWDGAFQWSA-N -1 3 285.388 1.365 10 0 CDAEHM CCN(C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)[C@@H](C)CC(=O)[O-] ZINC000061180981 520040100 /nfs/dbraw/zinc/04/01/00/520040100.db2.gz NFTSWVCHHVJVHT-RNJOBUHISA-N -1 3 284.400 1.959 10 0 CDAEHM CCN(CC(=O)N(C(C)C)C(C)C)C[C@@H](C)C(=O)[O-] ZINC000061218726 520299404 /nfs/dbraw/zinc/29/94/04/520299404.db2.gz FQVKJIVALWNSOH-GFCCVEGCSA-N -1 3 272.389 1.674 10 0 CDAEHM CCN(CC(=O)N(CC)C1=CCCC1)C[C@H](C)C(=O)[O-] ZINC000061220639 520305324 /nfs/dbraw/zinc/30/53/24/520305324.db2.gz HVQWRIPTYFMXAZ-LBPRGKRZSA-N -1 3 282.384 1.945 10 0 CDAEHM CCN(CC(=O)N[C@@H](C)C(C)C)[C@@H](C)CC(=O)[O-] ZINC000061182497 520341051 /nfs/dbraw/zinc/34/10/51/520341051.db2.gz DNTJVGWGLYENCI-QWRGUYRKSA-N -1 3 258.362 1.332 10 0 CDAEHM CCC[C@H](NC(=O)N[C@H](CN(C)C)C(C)C)C(=O)[O-] ZINC000049230673 521133045 /nfs/dbraw/zinc/13/30/45/521133045.db2.gz QOYPRYRXEHOQQU-WDEREUQCSA-N -1 3 273.377 1.125 10 0 CDAEHM CCN1CCC[C@@H](NC(=O)N(CCCC(=O)[O-])C(C)C)C1 ZINC000049227887 521619019 /nfs/dbraw/zinc/61/90/19/521619019.db2.gz LNJRCPQYUYIIPI-CYBMUJFWSA-N -1 3 299.415 1.756 10 0 CDAEHM CCN1CCC[C@@H](Nc2nc(C)ccc2C(=O)[O-])C1 ZINC000054529697 521627577 /nfs/dbraw/zinc/62/75/77/521627577.db2.gz RGQBKLQACXFQQC-LLVKDONJSA-N -1 3 263.341 1.984 10 0 CDAEHM COc1c(C)ccc(NC(=O)c2nnc(N)[n-]2)c1C ZINC000055165263 521804453 /nfs/dbraw/zinc/80/44/53/521804453.db2.gz LXTBVEFHHUCSOW-UHFFFAOYSA-N -1 3 261.285 1.265 10 0 CDAEHM COc1c(C)ccc(NC(=O)c2nc(N)n[n-]2)c1C 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CDAEHM Cc1cc(=O)[n-]c(CN2CCOC[C@H](C3CCC3)C2)n1 ZINC000795282838 684096469 /nfs/dbraw/zinc/09/64/69/684096469.db2.gz ZISGOKMCCBPUBG-CYBMUJFWSA-N -1 3 277.368 1.739 10 0 CDAEHM O=C1[N-]C(=O)C(=CNC[C@@H]2C[C@H]2C2CC2)c2ccccc21 ZINC000840730346 684152357 /nfs/dbraw/zinc/15/23/57/684152357.db2.gz UKFCNJIJZAMQDR-RVGQMOEISA-N -1 3 282.343 1.933 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CC2CCC2)nn1 ZINC000867673427 684165289 /nfs/dbraw/zinc/16/52/89/684165289.db2.gz CWQBWPUYXAFAAB-SNVBAGLBSA-N -1 3 269.370 1.642 10 0 CDAEHM O=C(CCc1cnccn1)[N-]OCCCC(F)(F)F ZINC000871216345 684215568 /nfs/dbraw/zinc/21/55/68/684215568.db2.gz WPPVAKVFCYVDDO-UHFFFAOYSA-N -1 3 277.246 1.800 10 0 CDAEHM COC(OC)c1ccc(C(=O)NCc2ncccc2[O-])o1 ZINC000807448819 684243196 /nfs/dbraw/zinc/24/31/96/684243196.db2.gz BVFBXFJWTLRFMC-UHFFFAOYSA-N -1 3 292.291 1.602 10 0 CDAEHM C[C@@H](F)CCNC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436536774 684290819 /nfs/dbraw/zinc/29/08/19/684290819.db2.gz QFXOMZNTOHCJHB-SSDOTTSWSA-N -1 3 255.245 1.599 10 0 CDAEHM O=C([N-][C@H]1[C@@H]2COC[C@@H]21)C(F)(F)c1c(F)cccc1F ZINC000794225204 1162464915 /nfs/dbraw/zinc/46/49/15/1162464915.db2.gz CGLACQHIUZOJDU-IIDWOEFGSA-N -1 3 289.228 1.818 10 0 CDAEHM CCn1cccc1C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC001772455324 1160550816 /nfs/dbraw/zinc/55/08/16/1160550816.db2.gz VFAACADKAOSPJE-UHFFFAOYSA-N -1 3 272.308 1.468 10 0 CDAEHM CSc1nc(NC(=O)c2cncc3[nH]ccc32)n[n-]1 ZINC001136480125 1164221980 /nfs/dbraw/zinc/22/19/80/1164221980.db2.gz CMNIZWCFOIQHOP-UHFFFAOYSA-N -1 3 274.309 1.655 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2cccnc2)c1 ZINC001618319425 1165628647 /nfs/dbraw/zinc/62/86/47/1165628647.db2.gz UTKXSKPENNQANE-UHFFFAOYSA-N -1 3 297.314 1.842 10 0 CDAEHM Clc1cccc(CN2CC[C@H](c3nnn[n-]3)C2)n1 ZINC001620536387 1165655671 /nfs/dbraw/zinc/65/56/71/1165655671.db2.gz TVRDMFXBCRCBRI-QMMMGPOBSA-N -1 3 264.720 1.238 10 0 CDAEHM Clc1cccc(CN2CC[C@H](c3nn[n-]n3)C2)n1 ZINC001620536387 1165655675 /nfs/dbraw/zinc/65/56/75/1165655675.db2.gz TVRDMFXBCRCBRI-QMMMGPOBSA-N -1 3 264.720 1.238 10 0 CDAEHM C/C=C/C[C@@H](NC(=O)c1ccc(O)cc1[O-])C(=O)OCC ZINC001624899599 1165871831 /nfs/dbraw/zinc/87/18/31/1165871831.db2.gz VHMNIEKTRZQYSU-OGOUPESXSA-N -1 3 293.319 1.726 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1cccs1 ZINC001628255337 1166057413 /nfs/dbraw/zinc/05/74/13/1166057413.db2.gz PMYLBAUNPMAHPM-UHFFFAOYSA-N -1 3 267.335 1.462 10 0 CDAEHM O=C(Nn1ccc(=O)[nH]c1=O)c1cc([O-])c2ccccc2c1 ZINC001634356097 1166492916 /nfs/dbraw/zinc/49/29/16/1166492916.db2.gz ZQZCNRSCNPUOPT-UHFFFAOYSA-N -1 3 297.270 1.192 10 0 CDAEHM Cn1nc(C(=O)Nc2c([O-])cccc2Cl)cc1C=O ZINC001636560784 1166683050 /nfs/dbraw/zinc/68/30/50/1166683050.db2.gz PDMYKSHPWQQONS-UHFFFAOYSA-N -1 3 279.683 1.844 10 0 CDAEHM Cn1nc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1C=O ZINC001637294764 1166744332 /nfs/dbraw/zinc/74/43/32/1166744332.db2.gz YPHLTELJXSKVHV-UHFFFAOYSA-N -1 3 285.263 1.067 10 0 CDAEHM COc1ccsc1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001639647850 1166958960 /nfs/dbraw/zinc/95/89/60/1166958960.db2.gz HSIINTGQZFITRE-UHFFFAOYSA-N -1 3 297.361 1.471 10 0 CDAEHM c1[n-][nH]c2ncnc(=Nc3ccc4c(c3)CCOC4)c1-2 ZINC001640165580 1167001624 /nfs/dbraw/zinc/00/16/24/1167001624.db2.gz NYMMPEAQQMNUQO-UHFFFAOYSA-N -1 3 267.292 1.543 10 0 CDAEHM CCN1CCN(C(=O)c2ccc(F)c([O-])c2)[C@@H](C)C1 ZINC001640488208 1167030228 /nfs/dbraw/zinc/03/02/28/1167030228.db2.gz YXBGKYYUQHTJPN-JTQLQIEISA-N -1 3 266.316 1.698 10 0 CDAEHM O=C(Nc1ncccc1[O-])c1cnc(C2CC2)nc1 ZINC001556164139 1168056847 /nfs/dbraw/zinc/05/68/47/1168056847.db2.gz VJDCSNBJXFKPII-UHFFFAOYSA-N -1 3 256.265 1.707 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(Cl)cc1N ZINC001565612348 1168158940 /nfs/dbraw/zinc/15/89/40/1168158940.db2.gz LVVHNWVTWPSVGC-SECBINFHSA-N -1 3 294.742 1.164 10 0 CDAEHM COc1cccc([O-])c1C(=O)NCC[C@H](O)C(C)C ZINC001565784908 1168169016 /nfs/dbraw/zinc/16/90/16/1168169016.db2.gz PVZDXGZMHVZENG-JTQLQIEISA-N -1 3 267.325 1.538 10 0 CDAEHM C[C@]1(C(=O)[O-])C[C@H](NCc2nc3c(s2)CCC3)CCO1 ZINC001647414034 1168665703 /nfs/dbraw/zinc/66/57/03/1168665703.db2.gz LIYZFHHFSUZVST-YMTOWFKASA-N -1 3 296.392 1.744 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCCC[C@@]12CCOC2 ZINC001649354651 1169231618 /nfs/dbraw/zinc/23/16/18/1169231618.db2.gz NWJVFFDJGHPSTN-HNNXBMFYSA-N -1 3 277.320 1.883 10 0 CDAEHM Cc1nsc([N-]C(=O)c2cncc3[nH]cnc32)n1 ZINC001650845227 1171261053 /nfs/dbraw/zinc/26/10/53/1171261053.db2.gz BYWBOTQBMQDPPG-UHFFFAOYSA-N -1 3 260.282 1.370 10 0 CDAEHM COc1nscc1[N-]C(=O)c1cnn2ccc(C)nc12 ZINC001651233521 1171305405 /nfs/dbraw/zinc/30/54/05/1171305405.db2.gz SWZIMYVLXIVTMU-UHFFFAOYSA-N -1 3 289.320 1.755 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N(C)CCc1ncon1 ZINC001597472495 1174275108 /nfs/dbraw/zinc/27/51/08/1174275108.db2.gz UIRNXBGYNXOJMV-UHFFFAOYSA-N -1 3 261.281 1.398 10 0 CDAEHM C/C=C(/C)C(=O)NC1CN(C(=O)c2ccccc2[O-])C1 ZINC001704513154 1177721880 /nfs/dbraw/zinc/72/18/80/1177721880.db2.gz QTOHBDQPNZYNJW-KMKOMSMNSA-N -1 3 274.320 1.299 10 0 CDAEHM CN1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000234379511 1178218847 /nfs/dbraw/zinc/21/88/47/1178218847.db2.gz PKSVJSMVPVOOHB-WOPDTQHZSA-N -1 3 268.357 1.088 10 0 CDAEHM Cc1n[nH]c(C(=O)N[C@@H](CNCCF)C(C)(C)C)c1[O-] ZINC001717957781 1180948358 /nfs/dbraw/zinc/94/83/58/1180948358.db2.gz LIBGBTNRZCVFJT-VIFPVBQESA-N -1 3 286.351 1.127 10 0 CDAEHM C/C=C(/C)C(=O)N(C)[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001718139271 1180998495 /nfs/dbraw/zinc/99/84/95/1180998495.db2.gz UEYUMHXNCGDWRN-DKRCXCIFSA-N -1 3 290.363 1.935 10 0 CDAEHM COCC(=O)NCCC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001726254637 1182191336 /nfs/dbraw/zinc/19/13/36/1182191336.db2.gz SOSIJWBLYXMGOG-LLVKDONJSA-N -1 3 294.351 1.053 10 0 CDAEHM CCCCCN1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001733217272 1183344633 /nfs/dbraw/zinc/34/46/33/1183344633.db2.gz SUQJHAXPERFCHQ-GFCCVEGCSA-N -1 3 277.368 1.782 10 0 CDAEHM COc1cccc([O-])c1C(=O)N1Cc2c[nH]nc2C1 ZINC000405201131 1186569029 /nfs/dbraw/zinc/56/90/29/1186569029.db2.gz CTTIOOKFDFDXME-UHFFFAOYSA-N -1 3 259.265 1.280 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=C1CCSCC1 ZINC001627152476 1165980013 /nfs/dbraw/zinc/98/00/13/1165980013.db2.gz GVPKCCQZYCIYLD-NSHDSACASA-N -1 3 281.381 1.068 10 0 CDAEHM C[C@H]1[C@@H](NC(=O)C(C)(C)CCC(=O)[O-])CCN1C ZINC001354071359 968455575 /nfs/dbraw/zinc/45/55/75/968455575.db2.gz JMNOWJLCLAVUGW-UWVGGRQHSA-N -1 3 256.346 1.086 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)c1ccco1 ZINC001634445710 1166501814 /nfs/dbraw/zinc/50/18/14/1166501814.db2.gz HDWNRUQXPWBALI-UHFFFAOYSA-N -1 3 259.265 1.583 10 0 CDAEHM COc1c[nH]nc1[N-]C(=O)c1c(OC)nsc1OC ZINC001363467111 1167527402 /nfs/dbraw/zinc/52/74/02/1167527402.db2.gz CIBXAEFBICBELR-UHFFFAOYSA-N -1 3 284.297 1.144 10 0 CDAEHM C[C@H](NC(=O)CC1CSC1)c1nc(C(F)(F)F)n[n-]1 ZINC001362998104 904201955 /nfs/dbraw/zinc/20/19/55/904201955.db2.gz ITYSAFLFXPTEQH-YFKPBYRVSA-N -1 3 294.302 1.754 10 0 CDAEHM CCC1(C(=O)N[C@@H](C)[C@@H](C)NC(=O)c2cn[n-]n2)CCC1 ZINC001486719560 921181546 /nfs/dbraw/zinc/18/15/46/921181546.db2.gz KNRHYEGLAMTNRE-ZJUUUORDSA-N -1 3 293.371 1.008 10 0 CDAEHM COc1cccc([O-])c1C(=O)NCCO[C@H]1CC1(F)F ZINC000691237752 917326305 /nfs/dbraw/zinc/32/63/05/917326305.db2.gz VMOGGTLOMYKIFL-JTQLQIEISA-N -1 3 287.262 1.555 10 0 CDAEHM O=C(NC[C@@H]1CCC[C@H]1C1CC1)c1cnncc1[O-] ZINC001142214573 936991006 /nfs/dbraw/zinc/99/10/06/936991006.db2.gz CVLZPYUDKABVNE-QWRGUYRKSA-N -1 3 261.325 1.738 10 0 CDAEHM O=C([O-])CC1CC(NCc2cc3n(n2)CCCC3)C1 ZINC001119550527 925384053 /nfs/dbraw/zinc/38/40/53/925384053.db2.gz IKEDCGCKCWEZFU-UHFFFAOYSA-N -1 3 263.341 1.562 10 0 CDAEHM CSc1nc(NC(=O)C=C[C@H]2COC(C)(C)O2)n[n-]1 ZINC001142712623 937058098 /nfs/dbraw/zinc/05/80/98/937058098.db2.gz DEDYADJSXBULMM-MJSGSUOKSA-N -1 3 284.341 1.173 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc(Cl)c1N ZINC001144232782 931713245 /nfs/dbraw/zinc/71/32/45/931713245.db2.gz JJGRSWSQNSFGDI-QMMMGPOBSA-N -1 3 294.742 1.164 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCCc1cccnc1 ZINC001411765779 932004856 /nfs/dbraw/zinc/00/48/56/932004856.db2.gz KUPJNLBXCALJSC-ZDUSSCGKSA-N -1 3 288.351 1.033 10 0 CDAEHM CC(C)O[C@H]1C[C@@H](NC(=O)c2cnncc2[O-])C1(C)C ZINC001411988415 932197275 /nfs/dbraw/zinc/19/72/75/932197275.db2.gz FTESUXJYFZQMRD-NEPJUHHUSA-N -1 3 279.340 1.504 10 0 CDAEHM O=C(C[C@@H]1C=CCC1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001119505645 937726307 /nfs/dbraw/zinc/72/63/07/937726307.db2.gz JJIWBZHENWWFHU-MNOVXSKESA-N -1 3 261.325 1.788 10 0 CDAEHM O=C(NC1CC(N2CCOCC2)C1)c1cccc([O-])c1F ZINC001413193076 935939394 /nfs/dbraw/zinc/93/93/94/935939394.db2.gz YETNRLDAHKJTCJ-UHFFFAOYSA-N -1 3 294.326 1.124 10 0 CDAEHM NCc1nccnc1NCc1ccc([O-])c(Cl)c1 ZINC001164060472 939402324 /nfs/dbraw/zinc/40/23/24/939402324.db2.gz HRGPIEJWNWOPRV-UHFFFAOYSA-N -1 3 264.716 1.906 10 0 CDAEHM CC[C@H](C)C[C@@H](NC(=O)N[C@@H]1CCCN(C)C1)C(=O)[O-] ZINC000400478868 940850261 /nfs/dbraw/zinc/85/02/61/940850261.db2.gz BYTSVILMQACQJN-QJPTWQEYSA-N -1 3 285.388 1.269 10 0 CDAEHM CC(C)n1ccnc1C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC001362355460 971183855 /nfs/dbraw/zinc/18/38/55/971183855.db2.gz QFPQPJJSWDJVFH-UHFFFAOYSA-N -1 3 287.323 1.158 10 0 CDAEHM C[C@@H](NC(=O)c1cc(=O)[n-]cn1)C(=O)Cc1ccccc1 ZINC001362519820 971364367 /nfs/dbraw/zinc/36/43/67/971364367.db2.gz UIOYSMZQNWZCSH-SNVBAGLBSA-N -1 3 285.303 1.112 10 0 CDAEHM CCC1(CC)[C@H](NC(=O)c2cnncc2[O-])C[C@H]1OC ZINC001362680404 971523931 /nfs/dbraw/zinc/52/39/31/971523931.db2.gz CZSYDRSNGAVSEA-VXGBXAGGSA-N -1 3 279.340 1.506 10 0 CDAEHM C[C@@H](O)CN1CCN(C(=O)c2cccc([O-])c2F)[C@@H](C)C1 ZINC001362994014 971798874 /nfs/dbraw/zinc/79/88/74/971798874.db2.gz DZCVYQHKQGPZFE-WDEREUQCSA-N -1 3 296.342 1.058 10 0 CDAEHM C[C@H](NC(=O)c1ccncn1)c1nc(C(F)(F)F)n[n-]1 ZINC001364309190 954450302 /nfs/dbraw/zinc/45/03/02/954450302.db2.gz JZGALTDAWBZSFI-YFKPBYRVSA-N -1 3 286.217 1.105 10 0 CDAEHM CCOc1nnc(NC(=O)c2ccc(C(C)=O)cc2F)[n-]1 ZINC001364507365 954707404 /nfs/dbraw/zinc/70/74/04/954707404.db2.gz QNKVYHWPHXZILV-UHFFFAOYSA-N -1 3 292.270 1.797 10 0 CDAEHM CCOc1nc(NC(=O)c2ccc(C(C)=O)cc2F)n[n-]1 ZINC001364507365 954707407 /nfs/dbraw/zinc/70/74/07/954707407.db2.gz QNKVYHWPHXZILV-UHFFFAOYSA-N -1 3 292.270 1.797 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2ccc(C(C)=O)cc2F)n1 ZINC001364507365 954707409 /nfs/dbraw/zinc/70/74/09/954707409.db2.gz QNKVYHWPHXZILV-UHFFFAOYSA-N -1 3 292.270 1.797 10 0 CDAEHM CON(Cc1ccccc1)C(=O)c1cc(=O)[n-]cn1 ZINC001296228256 954831113 /nfs/dbraw/zinc/83/11/13/954831113.db2.gz SFZZPZLOCNCYLE-UHFFFAOYSA-N -1 3 259.265 1.386 10 0 CDAEHM C/C=C(\C)C(=O)NC/C=C\CNC(=O)c1ccccc1[O-] ZINC001298266240 955159313 /nfs/dbraw/zinc/15/93/13/955159313.db2.gz HIKHJLRHWRBMDC-UWONXNGWSA-N -1 3 288.347 1.761 10 0 CDAEHM CC(C)=CC(=O)N[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001298525395 955196627 /nfs/dbraw/zinc/19/66/27/955196627.db2.gz KSYUXZKAZUXKES-LLVKDONJSA-N -1 3 276.336 1.593 10 0 CDAEHM COCc1cc(N2Cc3nc(C4CC4)[n-]c(=O)c3C2)ncn1 ZINC001365236401 955762685 /nfs/dbraw/zinc/76/26/85/955762685.db2.gz IWNWCGVNTMZYBN-UHFFFAOYSA-N -1 3 299.334 1.516 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2C=CCCC2)nn1 ZINC001329379188 955864073 /nfs/dbraw/zinc/86/40/73/955864073.db2.gz RCQSIHKVQIXJIW-JTQLQIEISA-N -1 3 253.327 1.172 10 0 CDAEHM O=C([O-])Cn1cc(CN[C@@H]2C[C@@H]3CCCC[C@H]23)nn1 ZINC001334033970 958782311 /nfs/dbraw/zinc/78/23/11/958782311.db2.gz PENJVDAXHZKXFE-ZMLRMANQSA-N -1 3 264.329 1.031 10 0 CDAEHM O=C([O-])[C@@H](O)CCNCc1ccsc1Br ZINC001334087697 958824261 /nfs/dbraw/zinc/82/42/61/958824261.db2.gz KRNTVPMNUXETIP-ZETCQYMHSA-N -1 3 294.170 1.436 10 0 CDAEHM O=C(N1CC[C@H](c2cc(=O)[nH][n-]2)C1)[C@]12C[C@H]1CCC2 ZINC001334251582 958975405 /nfs/dbraw/zinc/97/54/05/958975405.db2.gz BPATWOFDWOXCIP-IMSIIYSGSA-N -1 3 261.325 1.621 10 0 CDAEHM CCc1nccn1CCNC(=O)c1ccc(OC)cc1[O-] ZINC001419409468 961670444 /nfs/dbraw/zinc/67/04/44/961670444.db2.gz LPRJGHCZUUIUFT-UHFFFAOYSA-N -1 3 289.335 1.590 10 0 CDAEHM Cc1cc(NC(=O)c2cc(F)cc3n[n-]nc32)n[nH]1 ZINC001441755719 964678681 /nfs/dbraw/zinc/67/86/81/964678681.db2.gz VCRJHZRFVWEGMM-UHFFFAOYSA-N -1 3 260.232 1.381 10 0 CDAEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C=Cc1ccc[nH]1)C2 ZINC001557742617 965205173 /nfs/dbraw/zinc/20/51/73/965205173.db2.gz YPVOOGIPWGTHCH-PLNGDYQASA-N -1 3 270.292 1.374 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](C)Cc1ccco1 ZINC001443448134 965469697 /nfs/dbraw/zinc/46/96/97/965469697.db2.gz GMAVXJLYRCXDDT-CABZTGNLSA-N -1 3 277.324 1.086 10 0 CDAEHM O=C(Nc1nnn[n-]1)c1cccc2[nH]c(C(F)F)nc21 ZINC001444618421 965904072 /nfs/dbraw/zinc/90/40/72/965904072.db2.gz FJVMSGNIMLKUNV-UHFFFAOYSA-N -1 3 279.210 1.266 10 0 CDAEHM O=C(Nc1nn[n-]n1)c1cccc2[nH]c(C(F)F)nc21 ZINC001444618421 965904079 /nfs/dbraw/zinc/90/40/79/965904079.db2.gz FJVMSGNIMLKUNV-UHFFFAOYSA-N -1 3 279.210 1.266 10 0 CDAEHM CN(C)C1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001447137474 966706699 /nfs/dbraw/zinc/70/66/99/966706699.db2.gz JKRGPVITRGVRCZ-UHFFFAOYSA-N -1 3 288.269 1.797 10 0 CDAEHM O=C(NCCCOc1ccccc1)c1cnncc1[O-] ZINC001540481453 967142099 /nfs/dbraw/zinc/14/20/99/967142099.db2.gz OXIGFXSPTRGMDB-UHFFFAOYSA-N -1 3 273.292 1.381 10 0 CDAEHM CCn1cccc1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC001543438598 967300460 /nfs/dbraw/zinc/30/04/60/967300460.db2.gz CLJHQTRHIBETPK-UHFFFAOYSA-N -1 3 282.307 1.940 10 0 CDAEHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cnncc1[O-] ZINC001543532368 967304234 /nfs/dbraw/zinc/30/42/34/967304234.db2.gz RBYQYSPDLNXLSE-GARJFASQSA-N -1 3 261.325 1.881 10 0 CDAEHM O=C(NCCOc1ccc2c(c1)CCC2)c1cnncc1[O-] ZINC001544947857 967394549 /nfs/dbraw/zinc/39/45/49/967394549.db2.gz OMJPUJZUEBBKQT-UHFFFAOYSA-N -1 3 299.330 1.480 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]2c2ccncc2)n1 ZINC001452732471 968170039 /nfs/dbraw/zinc/17/00/39/968170039.db2.gz CVBUDLFZHYUVML-NWDGAFQWSA-N -1 3 284.319 1.306 10 0 CDAEHM O=C(N[C@@H]1C[C@H]1c1ccsc1)c1cnncc1[O-] ZINC001353766294 968218623 /nfs/dbraw/zinc/21/86/23/968218623.db2.gz PLCIWGCJAVFLFC-WCBMZHEXSA-N -1 3 261.306 1.530 10 0 CDAEHM Cn1c(Cl)cnc1CN[C@H]1CC=C(C(=O)[O-])C1 ZINC001353909694 968330356 /nfs/dbraw/zinc/33/03/56/968330356.db2.gz MEYYQPZCXVCYCB-QMMMGPOBSA-N -1 3 255.705 1.337 10 0 CDAEHM CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001455757197 968798395 /nfs/dbraw/zinc/79/83/95/968798395.db2.gz XAISPOVOPFHNSK-IJLUTSLNSA-N -1 3 290.367 1.232 10 0 CDAEHM CC(C)COCCC(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001528801059 968935911 /nfs/dbraw/zinc/93/59/11/968935911.db2.gz ZGYHNDLLGRVJDF-UHFFFAOYSA-N -1 3 295.387 1.044 10 0 CDAEHM CC(C)COCCC(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001528801059 968935916 /nfs/dbraw/zinc/93/59/16/968935916.db2.gz ZGYHNDLLGRVJDF-UHFFFAOYSA-N -1 3 295.387 1.044 10 0 CDAEHM CCC[C@@H](C)CC(=O)NC[C@H](CC)NC(=O)c1cn[n-]n1 ZINC001456737770 969033625 /nfs/dbraw/zinc/03/36/25/969033625.db2.gz WOMKLRFWJORSQK-MNOVXSKESA-N -1 3 295.387 1.256 10 0 CDAEHM CSc1nc(NC(=O)C=C[C@@H]2CCOC2)n[n-]1 ZINC001464603301 969799374 /nfs/dbraw/zinc/79/93/74/969799374.db2.gz KKTLENQLWUNAMB-TYWZFMJISA-N -1 3 254.315 1.058 10 0 CDAEHM CCN1CCN(C(=O)c2ccc(F)c([O-])c2)C[C@H]1C ZINC001466103798 969924006 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CO[C@@H]1CCC[C@H]1Sc1nc2c(cnn2C)c(=O)[n-]1 ZINC000629221300 361748614 /nfs/dbraw/zinc/74/86/14/361748614.db2.gz SXHDHPCBWUPHLT-RKDXNWHRSA-N -1 3 280.353 1.729 10 0 CDAEHM CCOC(=O)C[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000599232053 343987224 /nfs/dbraw/zinc/98/72/24/343987224.db2.gz MTLXXXAQCQRUSH-UHFFFAOYSA-N -1 3 293.291 1.115 10 0 CDAEHM CCOC[C@H](C)[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625133721 342033813 /nfs/dbraw/zinc/03/38/13/342033813.db2.gz LIMVQDVDEVJUCE-VIFPVBQESA-N -1 3 293.335 1.977 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C2(CCO)CC2)c(F)c1F ZINC000625228025 342044396 /nfs/dbraw/zinc/04/43/96/342044396.db2.gz UQKCMRKSZPPCLQ-UHFFFAOYSA-N -1 3 291.319 1.467 10 0 CDAEHM COc1ccc(C(=O)NCCC2CC(OC)C2)c([O-])c1 ZINC000617025721 342610054 /nfs/dbraw/zinc/61/00/54/342610054.db2.gz UVSJVVHJROXKCU-UHFFFAOYSA-N -1 3 279.336 1.946 10 0 CDAEHM Cc1ccc2c(c1)[C@@H](NC(=O)c1c[n-]nn1)[C@H](C)C2 ZINC000619018777 349587841 /nfs/dbraw/zinc/58/78/41/349587841.db2.gz OMVAQIPWVPBHEX-RNCFNFMXSA-N -1 3 256.309 1.776 10 0 CDAEHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cnn[n-]1)[C@H](C)C2 ZINC000619018777 349587843 /nfs/dbraw/zinc/58/78/43/349587843.db2.gz OMVAQIPWVPBHEX-RNCFNFMXSA-N -1 3 256.309 1.776 10 0 CDAEHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cn[n-]n1)[C@H](C)C2 ZINC000619018777 349587847 /nfs/dbraw/zinc/58/78/47/349587847.db2.gz OMVAQIPWVPBHEX-RNCFNFMXSA-N -1 3 256.309 1.776 10 0 CDAEHM CN(CC1CN(C)C1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000618191609 342135644 /nfs/dbraw/zinc/13/56/44/342135644.db2.gz LMVBDJGDLNKZGZ-UHFFFAOYSA-N -1 3 270.279 1.304 10 0 CDAEHM CN(CC1CN(C)C1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000618196359 342144595 /nfs/dbraw/zinc/14/45/95/342144595.db2.gz UFSAKXJNKRQYFV-UHFFFAOYSA-N -1 3 285.347 1.162 10 0 CDAEHM CO[C@@]1(CO)CCCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000401760468 342697052 /nfs/dbraw/zinc/69/70/52/342697052.db2.gz HRAFDGQDIYLFKA-HNNXBMFYSA-N -1 3 279.336 1.314 10 0 CDAEHM CC(C)(C)OC(=O)[C@H](C(=O)[O-])[C@@H](N)c1ccccc1F ZINC000096900109 185126413 /nfs/dbraw/zinc/12/64/13/185126413.db2.gz 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/nfs/dbraw/zinc/11/98/92/539119892.db2.gz TVLYVQQMEPGYHG-UHFFFAOYSA-N -1 3 255.281 1.538 10 0 CDAEHM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)CC(C)(C)C ZINC000594867649 342972714 /nfs/dbraw/zinc/97/27/14/342972714.db2.gz XOQAKCKTPLTBLI-NSHDSACASA-N -1 3 283.365 1.243 10 0 CDAEHM CCCN1CCC[C@H]1C(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC000619449487 349721371 /nfs/dbraw/zinc/72/13/71/349721371.db2.gz JKFJXZQQOWKXHK-JTQLQIEISA-N -1 3 294.355 1.399 10 0 CDAEHM CCCN1CCC[C@H]1C(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC000619449487 349721373 /nfs/dbraw/zinc/72/13/73/349721373.db2.gz JKFJXZQQOWKXHK-JTQLQIEISA-N -1 3 294.355 1.399 10 0 CDAEHM CS(=O)(=O)[N-]c1cc(NC(=O)C23CC(C2)C3)ccc1F ZINC000623685239 349750904 /nfs/dbraw/zinc/75/09/04/349750904.db2.gz JARKOKRWUSXJJJ-UHFFFAOYSA-N -1 3 298.339 1.936 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2)c1 ZINC000080730506 342359676 /nfs/dbraw/zinc/35/96/76/342359676.db2.gz XXZQICCFAYBPJC-OLZOCXBDSA-N -1 3 291.376 1.737 10 0 CDAEHM CCCCOCCC[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000080710291 342359824 /nfs/dbraw/zinc/35/98/24/342359824.db2.gz ZOVKIQFBNRREQA-UHFFFAOYSA-N -1 3 289.401 1.388 10 0 CDAEHM COC(=O)c1coc(CNCC2(C(=O)[O-])CCC2)c1 ZINC000596655966 343364081 /nfs/dbraw/zinc/36/40/81/343364081.db2.gz CPFKXHOOBYHKNQ-UHFFFAOYSA-N -1 3 267.281 1.411 10 0 CDAEHM COC(=O)c1cc(CNC[C@H](C(=O)[O-])C2CCC2)oc1C ZINC000596656268 343364180 /nfs/dbraw/zinc/36/41/80/343364180.db2.gz AZTVHMQRFCVMCZ-ZDUSSCGKSA-N -1 3 295.335 1.965 10 0 CDAEHM CO[C@@H](CS(=O)(=O)[N-]CC(C)(C)F)C1CCCC1 ZINC000632608146 362171322 /nfs/dbraw/zinc/17/13/22/362171322.db2.gz GOEMHNLDWYVNSB-NSHDSACASA-N -1 3 281.393 1.859 10 0 CDAEHM Cc1ccc([O-])c(CN(C)[C@@H](C)C(=O)OC(C)C)n1 ZINC000093772956 342426506 /nfs/dbraw/zinc/42/65/06/342426506.db2.gz FKNBBEPVNDEPCE-NSHDSACASA-N -1 3 266.341 1.868 10 0 CDAEHM COc1ccc([C@@H]2C[C@@H](C(=O)[O-])CN2C)cc1OC ZINC000257798326 342442754 /nfs/dbraw/zinc/44/27/54/342442754.db2.gz WCXQJMGMFLLSTB-MNOVXSKESA-N -1 3 265.309 1.781 10 0 CDAEHM Cc1sc(N2CCN3CCC[C@@H]3C2)nc1C(=O)[O-] ZINC000137329905 342408009 /nfs/dbraw/zinc/40/80/09/342408009.db2.gz RYUGNVYWCCZMBL-SECBINFHSA-N -1 3 267.354 1.434 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)c1 ZINC000618314721 342448866 /nfs/dbraw/zinc/44/88/66/342448866.db2.gz KXCPJXQVINLCIT-GHMZBOCLSA-N -1 3 297.376 1.396 10 0 CDAEHM CCOC(=O)c1csc(=NCC[C@@H]2CCCOC2)[n-]1 ZINC000599117459 343962248 /nfs/dbraw/zinc/96/22/48/343962248.db2.gz UMRMGDZBBYKSHN-JTQLQIEISA-N -1 3 284.381 1.970 10 0 CDAEHM C[C@@H]1COC2(CCC2)CN1C(=O)c1ccc(O)cc1[O-] ZINC000617945689 344684497 /nfs/dbraw/zinc/68/44/97/344684497.db2.gz XAWRQGIWWRPNBC-SNVBAGLBSA-N -1 3 277.320 1.881 10 0 CDAEHM CO[C@H](CNC(=O)c1cccc(C)c1[O-])[C@@H]1CCOC1 ZINC000617148237 344933434 /nfs/dbraw/zinc/93/34/34/344933434.db2.gz OWJJEHFOKBNWOX-DGCLKSJQSA-N -1 3 279.336 1.482 10 0 CDAEHM COC[C@@H](CCNC(=O)c1cccc(OC)c1[O-])OC ZINC000617232040 345040905 /nfs/dbraw/zinc/04/09/05/345040905.db2.gz ZUOVGLIVPBORPO-SNVBAGLBSA-N -1 3 283.324 1.182 10 0 CDAEHM CCc1cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)no1 ZINC000606885424 345103094 /nfs/dbraw/zinc/10/30/94/345103094.db2.gz DCWUONNRHNCPQZ-UHFFFAOYSA-N -1 3 290.323 1.343 10 0 CDAEHM CCO[C@H]1C[C@H](NC(=O)c2cccc(OC)c2[O-])C1 ZINC000617960521 345157960 /nfs/dbraw/zinc/15/79/60/345157960.db2.gz AXMSSYRWAZNRMC-MGCOHNPYSA-N -1 3 265.309 1.698 10 0 CDAEHM O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)C12CC(C1)C2 ZINC000626333837 345260568 /nfs/dbraw/zinc/26/05/68/345260568.db2.gz KRCOJJCZHPLCMV-YZKWQOGNSA-N -1 3 299.330 1.176 10 0 CDAEHM C[C@H]1C[C@H](NC(=O)c2ccccc2[O-])c2ncnn21 ZINC000617430144 345532552 /nfs/dbraw/zinc/53/25/52/345532552.db2.gz LPVHCEINELXOPD-WPRPVWTQSA-N -1 3 258.281 1.420 10 0 CDAEHM CCN1CCN(CCC(=O)Nc2c([O-])cccc2F)CC1 ZINC000608366871 345737752 /nfs/dbraw/zinc/73/77/52/345737752.db2.gz PHKKLPANHGNCQV-UHFFFAOYSA-N -1 3 295.358 1.497 10 0 CDAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@H](C)O1 ZINC000384957263 346093963 /nfs/dbraw/zinc/09/39/63/346093963.db2.gz RXQRELKRQHXVQY-KHQFGBGNSA-N -1 3 286.378 1.464 10 0 CDAEHM O=C([O-])[C@H]1CCC[C@H]1NC(=O)NCCN1CCCCC1 ZINC000085339221 179024875 /nfs/dbraw/zinc/02/48/75/179024875.db2.gz LKMLWKAVCCWRJX-NWDGAFQWSA-N -1 3 283.372 1.025 10 0 CDAEHM CCCN(CCN(C)C)C(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000085341358 179026241 /nfs/dbraw/zinc/02/62/41/179026241.db2.gz SIESVALJLQNARN-VXGBXAGGSA-N -1 3 285.388 1.223 10 0 CDAEHM Cc1ccc([O-])c(CN2CCCC[C@H]2CS(C)(=O)=O)n1 ZINC000449529287 362747603 /nfs/dbraw/zinc/74/76/03/362747603.db2.gz WCIURHDFCMAAMS-LBPRGKRZSA-N -1 3 298.408 1.495 10 0 CDAEHM CCc1cc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)n[nH]1 ZINC000104867827 346580711 /nfs/dbraw/zinc/58/07/11/346580711.db2.gz CWAYYELKBKRFBC-UHFFFAOYSA-N -1 3 284.275 1.108 10 0 CDAEHM Cc1cc([C@@H](O)[C@@H](N)C(=O)[O-])ccc1Br ZINC000085709033 179123548 /nfs/dbraw/zinc/12/35/48/179123548.db2.gz MAHLTLYAQGSLMB-RKDXNWHRSA-N -1 3 274.114 1.203 10 0 CDAEHM CCCN(Cc1ccccc1)C(=O)[C@H](N)CC(=O)[O-] ZINC000085811935 179178717 /nfs/dbraw/zinc/17/87/17/179178717.db2.gz DHNGZMPBXNLIQP-GFCCVEGCSA-N -1 3 264.325 1.227 10 0 CDAEHM CCOc1ccc(NC(=O)[C@H](N)CC(=O)[O-])cc1OCC ZINC000085811072 179177916 /nfs/dbraw/zinc/17/79/16/179177916.db2.gz GCSHPYBZWBJBSD-SNVBAGLBSA-N -1 3 296.323 1.225 10 0 CDAEHM CSc1ccc([C@H](C)NC(=O)[C@@H](N)CCC(=O)[O-])cc1 ZINC000085819443 179181890 /nfs/dbraw/zinc/18/18/90/179181890.db2.gz BJZPYEKNXJLKSR-CABZTGNLSA-N -1 3 296.392 1.778 10 0 CDAEHM CC[C@H](NC(=O)[C@@H](N)CCC(=O)[O-])c1ccccc1OC ZINC000085819451 179182240 /nfs/dbraw/zinc/18/22/40/179182240.db2.gz AMABTXYHHJVGOX-RYUDHWBXSA-N -1 3 294.351 1.455 10 0 CDAEHM C[C@@H](NC(=O)[C@H](N)CCC(=O)[O-])c1ccccc1Cl ZINC000085842483 179185806 /nfs/dbraw/zinc/18/58/06/179185806.db2.gz BCGJQIKUEMWYBE-LDYMZIIASA-N -1 3 284.743 1.709 10 0 CDAEHM COc1ccc(NC(=O)[C@H](N)CCC(=O)[O-])c(C)c1 ZINC000085844476 179186020 /nfs/dbraw/zinc/18/60/20/179186020.db2.gz SVBNJLLIDDTRHL-SNVBAGLBSA-N -1 3 266.297 1.134 10 0 CDAEHM N[C@H](CCC(=O)[O-])C(=O)N[C@@H]1CCCc2sccc21 ZINC000085844424 179186210 /nfs/dbraw/zinc/18/62/10/179186210.db2.gz JVXCGPORNBTINN-NXEZZACHSA-N -1 3 282.365 1.434 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)N1CCC[C@H]1c1cccs1 ZINC000085815418 179179059 /nfs/dbraw/zinc/17/90/59/179179059.db2.gz BLKIWXNJZWEMQE-BDAKNGLRSA-N -1 3 268.338 1.214 10 0 CDAEHM Cc1ccc([C@H](C)NC(=O)[C@H](N)CC(=O)[O-])s1 ZINC000085817645 179179856 /nfs/dbraw/zinc/17/98/56/179179856.db2.gz BIAKAUCLUZYMDS-JGVFFNPUSA-N -1 3 256.327 1.036 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)N1CCC[C@H]1C1CCCCC1 ZINC000085816282 179180092 /nfs/dbraw/zinc/18/00/92/179180092.db2.gz TYRDIIRBYOKIGL-NEPJUHHUSA-N -1 3 268.357 1.360 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)N(Cc1ccsc1)C1CC1 ZINC000085817211 179180479 /nfs/dbraw/zinc/18/04/79/179180479.db2.gz FBDMEHKAPVOVCL-SNVBAGLBSA-N -1 3 268.338 1.041 10 0 CDAEHM COc1cccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)c1[O-] ZINC000085976317 179207802 /nfs/dbraw/zinc/20/78/02/179207802.db2.gz UHKSZXNLLOHQRW-JQWIXIFHSA-N -1 3 279.336 1.682 10 0 CDAEHM COc1ccc([O-])c(C(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000085982828 179209960 /nfs/dbraw/zinc/20/99/60/179209960.db2.gz HTHNKKKAUCJFCP-ZWNOBZJWSA-N -1 3 279.336 1.682 10 0 CDAEHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(CN)s2)[C@@H]1C ZINC000086079610 179226568 /nfs/dbraw/zinc/22/65/68/179226568.db2.gz GMSDNKTYYXLIEN-KKZNHRDASA-N -1 3 288.438 1.920 10 0 CDAEHM CC(C)(C)n1nnc(C(=O)Nc2cc(F)ccc2[O-])n1 ZINC000613028689 347379375 /nfs/dbraw/zinc/37/93/75/347379375.db2.gz RNWKDFUJQVKAPB-UHFFFAOYSA-N -1 3 279.275 1.525 10 0 CDAEHM C[C@H](CC(=O)Nc1ncccc1[O-])[C@@H]1CCCO1 ZINC000613428288 347724466 /nfs/dbraw/zinc/72/44/66/347724466.db2.gz ZXMYUGIEJXHTNU-KOLCDFICSA-N -1 3 250.298 1.931 10 0 CDAEHM CCN=c1[n-]c(C(=O)NC2(C(F)F)CC2)cs1 ZINC000614495721 348127430 /nfs/dbraw/zinc/12/74/30/348127430.db2.gz IVEMADLMZUGLOT-UHFFFAOYSA-N -1 3 261.297 1.524 10 0 CDAEHM O=C(N[C@@H]1C[C@H](O)C12CCC2)c1ccc(O)cc1[O-] ZINC000619077186 348182162 /nfs/dbraw/zinc/18/21/62/348182162.db2.gz FGVSIMSOJPZYRJ-NEPJUHHUSA-N -1 3 263.293 1.131 10 0 CDAEHM CO[C@](C)([C@@H](C)NC(=O)NCc1ncccc1[O-])C1CC1 ZINC000413706047 362856981 /nfs/dbraw/zinc/85/69/81/362856981.db2.gz HWCPIDQQYHPBTJ-MEBBXXQBSA-N -1 3 293.367 1.790 10 0 CDAEHM CC(C)(C)C1CC(C(=O)NCCCc2cc(=O)[nH][n-]2)C1 ZINC000614929775 348278109 /nfs/dbraw/zinc/27/81/09/348278109.db2.gz HEJJFMWUUUBBFE-UHFFFAOYSA-N -1 3 279.384 1.831 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2CC[C@@H]2C(F)(F)F)cs1 ZINC000615026339 348308611 /nfs/dbraw/zinc/30/86/11/348308611.db2.gz OIKFJZVKSQWEJM-SSDOTTSWSA-N -1 3 279.287 1.774 10 0 CDAEHM CN1C[C@@H]2CCN(C(=O)c3ncc4ccccc4c3[O-])[C@@H]2C1 ZINC000615183721 348375748 /nfs/dbraw/zinc/37/57/48/348375748.db2.gz FAGRSLQLWIFNFE-GXTWGEPZSA-N -1 3 297.358 1.717 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CCC[C@@H]1c1cn[nH]c1 ZINC000615891366 348955231 /nfs/dbraw/zinc/95/52/31/348955231.db2.gz LDKQVEXWPXXRTF-CYBMUJFWSA-N -1 3 272.308 1.417 10 0 CDAEHM COCCCC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616025452 349253348 /nfs/dbraw/zinc/25/33/48/349253348.db2.gz OGRQMCGZLRRMKP-UHFFFAOYSA-N -1 3 274.320 1.983 10 0 CDAEHM COCCOc1ccccc1C(=O)Nc1nnc(OC)[n-]1 ZINC000271264728 191038285 /nfs/dbraw/zinc/03/82/85/191038285.db2.gz KEMLPQLZFFDSII-UHFFFAOYSA-N -1 3 292.295 1.091 10 0 CDAEHM COCCOc1ccccc1C(=O)Nc1n[n-]c(OC)n1 ZINC000271264728 191038287 /nfs/dbraw/zinc/03/82/87/191038287.db2.gz KEMLPQLZFFDSII-UHFFFAOYSA-N -1 3 292.295 1.091 10 0 CDAEHM COCCOc1ccccc1C(=O)Nc1nc(OC)n[n-]1 ZINC000271264728 191038289 /nfs/dbraw/zinc/03/82/89/191038289.db2.gz KEMLPQLZFFDSII-UHFFFAOYSA-N -1 3 292.295 1.091 10 0 CDAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@H]1C ZINC000104762629 186021249 /nfs/dbraw/zinc/02/12/49/186021249.db2.gz RHLWOCBMHKNJNW-VXNVDRBHSA-N -1 3 291.804 1.849 10 0 CDAEHM CNC1(CN=c2[n-]c([C@H](C)OC)ns2)CCC1 ZINC000621324348 350543674 /nfs/dbraw/zinc/54/36/74/350543674.db2.gz HDTYLJSXEZYIBL-QMMMGPOBSA-N -1 3 256.375 1.221 10 0 CDAEHM O=S(=O)([N-]CCCC1CC1)c1cncc(F)c1 ZINC000076297796 350545114 /nfs/dbraw/zinc/54/51/14/350545114.db2.gz JVTHMTHLSSNCFO-UHFFFAOYSA-N -1 3 258.318 1.689 10 0 CDAEHM CCO[C@@H]1C[C@H](NC(=O)c2cccc([O-])c2)[C@@H]1OC ZINC000275267240 365981536 /nfs/dbraw/zinc/98/15/36/365981536.db2.gz KWVIVYWANQHHKI-XQQFMLRXSA-N -1 3 265.309 1.314 10 0 CDAEHM COc1nnc(NC(=O)c2cc(C(C)=O)c(C)nc2C)[n-]1 ZINC000486957447 365984678 /nfs/dbraw/zinc/98/46/78/365984678.db2.gz LZEZMRRJJPHNPA-UHFFFAOYSA-N -1 3 289.295 1.280 10 0 CDAEHM COc1nc(NC(=O)c2cc(C(C)=O)c(C)nc2C)n[n-]1 ZINC000486957447 365984684 /nfs/dbraw/zinc/98/46/84/365984684.db2.gz LZEZMRRJJPHNPA-UHFFFAOYSA-N -1 3 289.295 1.280 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cc(C(C)=O)c(C)nc2C)n1 ZINC000486957447 365984691 /nfs/dbraw/zinc/98/46/91/365984691.db2.gz LZEZMRRJJPHNPA-UHFFFAOYSA-N -1 3 289.295 1.280 10 0 CDAEHM CN(C[C@@H]1CCCO1)C(=O)c1cc(F)c[n-]c1=O ZINC000621828825 350797008 /nfs/dbraw/zinc/79/70/08/350797008.db2.gz UQHFYYQDENHBOA-VIFPVBQESA-N -1 3 254.261 1.177 10 0 CDAEHM O=C(c1cc(F)c[n-]c1=O)N1CCC[C@H]2COCC[C@@H]21 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ZINC000631124924 363056639 /nfs/dbraw/zinc/05/66/39/363056639.db2.gz VDDYEYDXSZSBTM-UHFFFAOYSA-N -1 3 259.309 1.789 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1cc(C)cs1)[C@H](O)C(F)F ZINC000451702193 363078493 /nfs/dbraw/zinc/07/84/93/363078493.db2.gz BZJWKGIAJFEPMZ-CBAPKCEASA-N -1 3 299.364 1.739 10 0 CDAEHM COc1cc(CNCc2ncccc2[O-])cc2c1OCO2 ZINC000355298036 366051875 /nfs/dbraw/zinc/05/18/75/366051875.db2.gz WCZSRMKBOMBMKH-UHFFFAOYSA-N -1 3 288.303 1.814 10 0 CDAEHM CO[C@@H](C)[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000451854796 363154830 /nfs/dbraw/zinc/15/48/30/363154830.db2.gz NQNKXSAWSCIUEI-BDAKNGLRSA-N -1 3 255.289 1.613 10 0 CDAEHM CCOCc1nc([C@H](C)[N-]C(=O)C(C)(Cl)Cl)no1 ZINC000292030467 198139409 /nfs/dbraw/zinc/13/94/09/198139409.db2.gz XPSLRWOBLZUPFT-LURJTMIESA-N -1 3 296.154 1.977 10 0 CDAEHM CCOc1ccc(C(=O)Nc2nnc(OC)[n-]2)cc1OC ZINC000158187053 188362400 /nfs/dbraw/zinc/36/24/00/188362400.db2.gz MQQXVESRZNRAAR-UHFFFAOYSA-N -1 3 292.295 1.473 10 0 CDAEHM CCOc1ccc(C(=O)Nc2n[n-]c(OC)n2)cc1OC ZINC000158187053 188362401 /nfs/dbraw/zinc/36/24/01/188362401.db2.gz MQQXVESRZNRAAR-UHFFFAOYSA-N -1 3 292.295 1.473 10 0 CDAEHM CCOc1ccc(C(=O)Nc2nc(OC)n[n-]2)cc1OC ZINC000158187053 188362402 /nfs/dbraw/zinc/36/24/02/188362402.db2.gz MQQXVESRZNRAAR-UHFFFAOYSA-N -1 3 292.295 1.473 10 0 CDAEHM CCN(CC(N)=O)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000276643575 366088048 /nfs/dbraw/zinc/08/80/48/366088048.db2.gz RGEJHRNIWTUMQP-UHFFFAOYSA-N -1 3 276.336 1.218 10 0 CDAEHM COc1ccc([O-])c(C(=O)NCCOC(C)(C)C)c1 ZINC000308563076 260389572 /nfs/dbraw/zinc/38/95/72/260389572.db2.gz ARRIXFAVUSIORB-UHFFFAOYSA-N -1 3 267.325 1.946 10 0 CDAEHM Cc1nc(C[N-]S(=O)(=O)CCC2CCCCC2)no1 ZINC000565580731 293639873 /nfs/dbraw/zinc/63/98/73/293639873.db2.gz AKKLZNBZYHKWKT-UHFFFAOYSA-N -1 3 287.385 1.768 10 0 CDAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2)[C@@H](C)O1 ZINC000632648871 363294779 /nfs/dbraw/zinc/29/47/79/363294779.db2.gz VTIANTVGADVEOV-RWYTXXIDSA-N -1 3 291.319 1.809 10 0 CDAEHM COc1ccc2cnn([C@@H]3CCOC3(C)C)c([O-])c-2c1=O ZINC000634631991 356605486 /nfs/dbraw/zinc/60/54/86/356605486.db2.gz GYUYXIKUAFOWAH-LLVKDONJSA-N -1 3 290.319 1.851 10 0 CDAEHM COc1ccc2cnn([C@@H]3CCOC3(C)C)c(=O)c2c1[O-] ZINC000634631991 356605488 /nfs/dbraw/zinc/60/54/88/356605488.db2.gz GYUYXIKUAFOWAH-LLVKDONJSA-N -1 3 290.319 1.851 10 0 CDAEHM CCCc1ncc(CNC(=O)c2cc(=O)[n-]cn2)o1 ZINC000627661788 356792147 /nfs/dbraw/zinc/79/21/47/356792147.db2.gz MULUTGPMFHTTOE-UHFFFAOYSA-N -1 3 262.269 1.053 10 0 CDAEHM CSCC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000047167491 357153579 /nfs/dbraw/zinc/15/35/79/357153579.db2.gz WXYMDUNEWHWTJU-CYBMUJFWSA-N -1 3 293.348 1.043 10 0 CDAEHM Cc1ccc(CS(=O)(=O)c2nc(C3CC3)n[n-]2)c(C)n1 ZINC000187413840 357762649 /nfs/dbraw/zinc/76/26/49/357762649.db2.gz HNTMQPGAJFMRRH-UHFFFAOYSA-N -1 3 292.364 1.668 10 0 CDAEHM Cc1ccc(CS(=O)(=O)c2nnc(C3CC3)[n-]2)c(C)n1 ZINC000187413840 357762650 /nfs/dbraw/zinc/76/26/50/357762650.db2.gz HNTMQPGAJFMRRH-UHFFFAOYSA-N -1 3 292.364 1.668 10 0 CDAEHM CO[C@@H]1COCC[C@@H]1CC(=O)Nc1ccccc1[O-] ZINC000294357229 199010483 /nfs/dbraw/zinc/01/04/83/199010483.db2.gz BNMIFLLBWMJIIN-ZWNOBZJWSA-N -1 3 265.309 1.772 10 0 CDAEHM COC[C@@H]1CCN1C(=O)c1ccc(OC)cc1[O-] ZINC000294446275 199042113 /nfs/dbraw/zinc/04/21/13/199042113.db2.gz TYJLCJZCHHQXIB-VIFPVBQESA-N -1 3 251.282 1.262 10 0 CDAEHM CCO[C@@H]1C[C@@](CO)(NC(=O)c2cccc([O-])c2)C1(C)C ZINC000188882152 357948411 /nfs/dbraw/zinc/94/84/11/357948411.db2.gz MUFIGUBVSGJZBW-CJNGLKHVSA-N -1 3 293.363 1.688 10 0 CDAEHM C[C@H]1OCCC[C@@H]1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000190806172 358094213 /nfs/dbraw/zinc/09/42/13/358094213.db2.gz STHVAOBPCYNYIO-ZJUUUORDSA-N -1 3 289.339 1.564 10 0 CDAEHM C[C@H]1OCCC[C@@H]1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000190806172 358094217 /nfs/dbraw/zinc/09/42/17/358094217.db2.gz STHVAOBPCYNYIO-ZJUUUORDSA-N -1 3 289.339 1.564 10 0 CDAEHM COc1cccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1[O-] ZINC000019837424 358159399 /nfs/dbraw/zinc/15/93/99/358159399.db2.gz QSWCGQUHFGYINC-NXEZZACHSA-N -1 3 265.309 1.650 10 0 CDAEHM CCN1CCCC[C@H]1CNc1nc(C(=O)[O-])c(C)s1 ZINC000580332320 358323346 /nfs/dbraw/zinc/32/33/46/358323346.db2.gz OSLFKWIPESEERV-JTQLQIEISA-N -1 3 283.397 1.858 10 0 CDAEHM Cc1nc(=NCCN(C)C2CCCCC2)s[n-]1 ZINC000356608843 366434946 /nfs/dbraw/zinc/43/49/46/366434946.db2.gz MHOZZUHGEFFPNZ-UHFFFAOYSA-N -1 3 254.403 1.945 10 0 CDAEHM O=S(=O)([N-]C[C@H]1CCC[C@@H]1O)c1ccccc1F ZINC000089165831 358394306 /nfs/dbraw/zinc/39/43/06/358394306.db2.gz WJOHGFRRFXBDJU-KOLCDFICSA-N -1 3 273.329 1.265 10 0 CDAEHM Cc1cnc(C(=O)N2CCN(C)C[C@H]2C(C)C)c([O-])c1 ZINC000408224467 358444707 /nfs/dbraw/zinc/44/47/07/358444707.db2.gz PINRMKBRIVSZEJ-LBPRGKRZSA-N -1 3 277.368 1.508 10 0 CDAEHM Cc1nc(CN2CCCC[C@H]2c2nc(=O)[n-][nH]2)sc1C ZINC000294915062 199246074 /nfs/dbraw/zinc/24/60/74/199246074.db2.gz BVMANZDZSYBTGN-JTQLQIEISA-N -1 3 293.396 1.899 10 0 CDAEHM CCS(=O)(=O)C[C@@H](C)N(C)Cc1nc(C)ccc1[O-] ZINC000093416844 358606488 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ZINC000646079244 391987179 /nfs/dbraw/zinc/98/71/79/391987179.db2.gz XPXKENUCDZDJDP-UHFFFAOYSA-N -1 3 298.364 1.267 10 0 CDAEHM C[C@@H](C(=O)NCCc1cccs1)N(C)CCCC(=O)[O-] ZINC000430665988 392037974 /nfs/dbraw/zinc/03/79/74/392037974.db2.gz SCTLNVZFYBXXMX-NSHDSACASA-N -1 3 298.408 1.592 10 0 CDAEHM Cn1cc(C(=O)N2CCCC[C@H]2C2CCC2)c(=O)[n-]c1=O ZINC000648704252 392239766 /nfs/dbraw/zinc/23/97/66/392239766.db2.gz GAHGSXBGBFPVPF-LBPRGKRZSA-N -1 3 291.351 1.281 10 0 CDAEHM COc1cc(=NC(=O)N2CCC(F)(F)C[C@@H]2C)[n-]n1C ZINC000529065392 392241323 /nfs/dbraw/zinc/24/13/23/392241323.db2.gz CSYPXYQDBJARGA-QMMMGPOBSA-N -1 3 288.298 1.502 10 0 CDAEHM CCc1cc(C(=O)N2CC[C@@]23CCOC3)ccc1[O-] ZINC000422073174 392198075 /nfs/dbraw/zinc/19/80/75/392198075.db2.gz PLKHVTKFHCNIKJ-HNNXBMFYSA-N -1 3 261.321 1.960 10 0 CDAEHM CC(=O)[C@@H](C)CCCCC(=O)[N-]c1nnc2[nH]cnn12 ZINC000646265317 392221198 /nfs/dbraw/zinc/22/11/98/392221198.db2.gz QRABGUQLDAHQCH-QMMMGPOBSA-N -1 3 278.316 1.176 10 0 CDAEHM CC1(C)C[C@H](C(=O)NCCCc2cc(=O)[nH][n-]2)C(C)(C)O1 ZINC000529398134 392391028 /nfs/dbraw/zinc/39/10/28/392391028.db2.gz SFILDBRXWUWMEI-LLVKDONJSA-N -1 3 295.383 1.352 10 0 CDAEHM CCCn1nccc1NC(=O)Cc1cncc([O-])c1 ZINC000568232135 392425449 /nfs/dbraw/zinc/42/54/49/392425449.db2.gz FYZSDCIQCCVHGZ-UHFFFAOYSA-N -1 3 260.297 1.575 10 0 CDAEHM CC[C@@H](CC(F)(F)F)C(=O)Nc1n[n-]c(OC)n1 ZINC000402483459 392579506 /nfs/dbraw/zinc/57/95/06/392579506.db2.gz APESDRQNLVWFJI-YFKPBYRVSA-N -1 3 266.223 1.730 10 0 CDAEHM CC[C@@H](CC(F)(F)F)C(=O)Nc1nnc(OC)[n-]1 ZINC000402483459 392579511 /nfs/dbraw/zinc/57/95/11/392579511.db2.gz APESDRQNLVWFJI-YFKPBYRVSA-N -1 3 266.223 1.730 10 0 CDAEHM CC[C@@H](CC(F)(F)F)C(=O)Nc1nc(OC)n[n-]1 ZINC000402483459 392579515 /nfs/dbraw/zinc/57/95/15/392579515.db2.gz APESDRQNLVWFJI-YFKPBYRVSA-N -1 3 266.223 1.730 10 0 CDAEHM COc1nnc(NC(=O)CCc2ccc(C)cc2)[n-]1 ZINC000126777308 392586619 /nfs/dbraw/zinc/58/66/19/392586619.db2.gz SAIRQAJAFJHRJT-UHFFFAOYSA-N -1 3 260.297 1.693 10 0 CDAEHM COc1nc(NC(=O)CCc2ccc(C)cc2)n[n-]1 ZINC000126777308 392586624 /nfs/dbraw/zinc/58/66/24/392586624.db2.gz SAIRQAJAFJHRJT-UHFFFAOYSA-N -1 3 260.297 1.693 10 0 CDAEHM COc1n[n-]c(NC(=O)CCc2ccc(C)cc2)n1 ZINC000126777308 392586628 /nfs/dbraw/zinc/58/66/28/392586628.db2.gz SAIRQAJAFJHRJT-UHFFFAOYSA-N -1 3 260.297 1.693 10 0 CDAEHM COc1nnc(NC(=O)c2ccccc2Cl)[n-]1 ZINC000126791817 392588461 /nfs/dbraw/zinc/58/84/61/392588461.db2.gz AQJQUVUDHAPVNV-UHFFFAOYSA-N -1 3 252.661 1.719 10 0 CDAEHM COc1nc(NC(=O)c2ccccc2Cl)n[n-]1 ZINC000126791817 392588465 /nfs/dbraw/zinc/58/84/65/392588465.db2.gz AQJQUVUDHAPVNV-UHFFFAOYSA-N -1 3 252.661 1.719 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccccc2Cl)n1 ZINC000126791817 392588471 /nfs/dbraw/zinc/58/84/71/392588471.db2.gz AQJQUVUDHAPVNV-UHFFFAOYSA-N -1 3 252.661 1.719 10 0 CDAEHM CC1(C)Cc2ccc(C(=O)N3Cc4c[nH]nc4C3)c([O-])c2O1 ZINC000646348977 392593696 /nfs/dbraw/zinc/59/36/96/392593696.db2.gz YSPWSGUPDYOPIF-UHFFFAOYSA-N -1 3 299.330 1.985 10 0 CDAEHM CN(C)C1(CN=c2[n-]c(C3CCOCC3)no2)CCC1 ZINC000517710417 392913206 /nfs/dbraw/zinc/91/32/06/392913206.db2.gz HQWBDUMYVLDNFR-UHFFFAOYSA-N -1 3 280.372 1.282 10 0 CDAEHM Cc1ccn([C@@H](C)CC(=O)Nc2ncccc2[O-])n1 ZINC000613425908 393167636 /nfs/dbraw/zinc/16/76/36/393167636.db2.gz DYCWOPCEXVAVDL-JTQLQIEISA-N -1 3 260.297 1.882 10 0 CDAEHM CC(C)C[C@@H](CNC(=O)NC[C@H]1CCCN1C)C(=O)[O-] ZINC000225876952 393172496 /nfs/dbraw/zinc/17/24/96/393172496.db2.gz USYSFIIKISQRDL-NWDGAFQWSA-N -1 3 285.388 1.127 10 0 CDAEHM CC(=O)N1CCC[C@H](C(=O)N=c2[nH][n-]c(C(C)C)c2C)C1 ZINC000649233415 393132099 /nfs/dbraw/zinc/13/20/99/393132099.db2.gz MTSMZDILOHOPRU-LBPRGKRZSA-N -1 3 292.383 1.460 10 0 CDAEHM C[C@H](C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)C(C)(F)F ZINC000451329257 393222806 /nfs/dbraw/zinc/22/28/06/393222806.db2.gz MSQQMZIIJYOZCU-APPZFPTMSA-N -1 3 273.283 1.913 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cnn1C)C(F)F ZINC000451623002 393368729 /nfs/dbraw/zinc/36/87/29/393368729.db2.gz IFFFPGRYBRYCMQ-ZCFIWIBFSA-N -1 3 287.719 1.396 10 0 CDAEHM C[C@@H]1Cc2ccccc2N(C(=O)[C@@H](N)CC(=O)[O-])C1 ZINC000085818115 135038168 /nfs/dbraw/zinc/03/81/68/135038168.db2.gz ADUMROGZPGVURI-KOLCDFICSA-N -1 3 262.309 1.014 10 0 CDAEHM CCC1(CNS(=O)(=O)c2ccc([O-])cc2)CC1 ZINC000233077189 140225985 /nfs/dbraw/zinc/22/59/85/140225985.db2.gz HYMNTNMNOKSJDD-UHFFFAOYSA-N -1 3 255.339 1.861 10 0 CDAEHM CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccccc3[O-])[C@H]2C1 ZINC000245741424 140277651 /nfs/dbraw/zinc/27/76/51/140277651.db2.gz VJXJKRARHNWNFZ-ZLDLUXBVSA-N -1 3 291.347 1.801 10 0 CDAEHM O=C([O-])c1cc(Br)c2c(n1)CNCC2 ZINC000584881753 397786972 /nfs/dbraw/zinc/78/69/72/397786972.db2.gz PQJQEOZMXNYSHF-UHFFFAOYSA-N -1 3 257.087 1.188 10 0 CDAEHM CC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)C(F)F)cc1 ZINC000390275096 398026323 /nfs/dbraw/zinc/02/63/23/398026323.db2.gz MRZSFPJAKDXDOM-ZETCQYMHSA-N -1 3 277.292 1.821 10 0 CDAEHM CSc1nc(NC(=O)c2nccn2C(C)C)n[n-]1 ZINC001583924273 1172788159 /nfs/dbraw/zinc/78/81/59/1172788159.db2.gz XDUGNFCMRYRRMW-UHFFFAOYSA-N -1 3 266.330 1.556 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000178779389 148086394 /nfs/dbraw/zinc/08/63/94/148086394.db2.gz KOZIXVOHKPCUOH-YWXMQNBFSA-N -1 3 291.347 1.634 10 0 CDAEHM O=C(NCc1ncccc1[O-])[C@@H](O)CCc1ccccc1 ZINC000352514958 155241095 /nfs/dbraw/zinc/24/10/95/155241095.db2.gz DEQLHDSWUHSZPJ-HNNXBMFYSA-N -1 3 286.331 1.397 10 0 CDAEHM Cc1c(C(=O)NCc2ncccc2[O-])sc2nccn12 ZINC000352517285 155242926 /nfs/dbraw/zinc/24/29/26/155242926.db2.gz OSHJWIRJQBDCLT-UHFFFAOYSA-N -1 3 288.332 1.735 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C)C2)o1 ZINC000335951077 151143309 /nfs/dbraw/zinc/14/33/09/151143309.db2.gz IHULIUSJVJGIDJ-UWVGGRQHSA-N -1 3 259.327 1.434 10 0 CDAEHM C[C@@H]1C[C@@H](C)N1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000336081547 151253061 /nfs/dbraw/zinc/25/30/61/151253061.db2.gz CLKYNQRWRWTYKT-HTQZYQBOSA-N -1 3 273.292 1.585 10 0 CDAEHM C[C@@H]1CC[C@@H]1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000336143327 151308383 /nfs/dbraw/zinc/30/83/83/151308383.db2.gz HWTFTCIARXRMQA-SKDRFNHKSA-N -1 3 282.365 1.586 10 0 CDAEHM COc1ccc(NC(=O)c2cn(C(C)C)nn2)c([O-])c1 ZINC000349208298 154068708 /nfs/dbraw/zinc/06/87/08/154068708.db2.gz KRJJAVFLSTZZHW-UHFFFAOYSA-N -1 3 276.296 1.826 10 0 CDAEHM C[C@H]1COCC[C@H]1NC(=O)NCc1ncccc1[O-] ZINC000350040405 154312363 /nfs/dbraw/zinc/31/23/63/154312363.db2.gz KASYERZDXCWFMA-VHSXEESVSA-N -1 3 265.313 1.011 10 0 CDAEHM CCc1c(C(=O)NCc2ncccc2[O-])ccn1C ZINC000356103520 157356684 /nfs/dbraw/zinc/35/66/84/157356684.db2.gz FEDUJQFBFMRDMZ-UHFFFAOYSA-N -1 3 259.309 1.618 10 0 CDAEHM CO[C@@H](C(=O)[N-]c1nncn1C1CC1)c1ccc(O)cc1 ZINC000356183553 157387879 /nfs/dbraw/zinc/38/78/79/157387879.db2.gz FOQWETJFVRDEHV-GFCCVEGCSA-N -1 3 288.307 1.645 10 0 CDAEHM Cc1nnc(SCC(=O)[O-])n1[C@@H]1CN2CCC1CC2 ZINC000020591972 171261609 /nfs/dbraw/zinc/26/16/09/171261609.db2.gz NGPUJTUWSDKOGJ-SNVBAGLBSA-N -1 3 282.369 1.030 10 0 CDAEHM NN=c1[nH]cccc1S(=O)(=O)[N-]CC1CCCCC1 ZINC000035358760 172149571 /nfs/dbraw/zinc/14/95/71/172149571.db2.gz LNUFMFVOHGPGQK-UHFFFAOYSA-N -1 3 284.385 1.226 10 0 CDAEHM C[C@H](NCC(=O)Nc1ccc(F)cc1Cl)C(=O)[O-] ZINC000035388595 172171631 /nfs/dbraw/zinc/17/16/31/172171631.db2.gz IARPVNCYGHHSFJ-LURJTMIESA-N -1 3 274.679 1.480 10 0 CDAEHM CCC[C@]1([N-]S(=O)(=O)c2cnc(C)s2)CCOC1 ZINC000285324426 196250672 /nfs/dbraw/zinc/25/06/72/196250672.db2.gz NIRREFZMUUPUGM-NSHDSACASA-N -1 3 290.410 1.689 10 0 CDAEHM COC[C@@]1(C(=O)[O-])CCCN(CCO[C@@H]2CC2(F)F)C1 ZINC000656755606 413630684 /nfs/dbraw/zinc/63/06/84/413630684.db2.gz APQJFVSYBWRJPF-ZYHUDNBSSA-N -1 3 293.310 1.224 10 0 CDAEHM CCC[C@@H](NCc1cc(=O)n2ccsc2n1)C(=O)[O-] ZINC000036839701 172744430 /nfs/dbraw/zinc/74/44/30/172744430.db2.gz AEAXSJAVCVXABQ-SECBINFHSA-N -1 3 281.337 1.099 10 0 CDAEHM CC(C)(C)N1CC[C@@H]1C[N-]S(=O)(=O)c1cccs1 ZINC000657032846 413855333 /nfs/dbraw/zinc/85/53/33/413855333.db2.gz CSNJOALUVRDGMZ-SNVBAGLBSA-N -1 3 288.438 1.899 10 0 CDAEHM C[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000657113498 413933955 /nfs/dbraw/zinc/93/39/55/413933955.db2.gz KFBPSWIWPYCXBL-GXFFZTMASA-N -1 3 291.376 1.427 10 0 CDAEHM C[C@H]1CCCCN1CCNC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000663111944 413946204 /nfs/dbraw/zinc/94/62/04/413946204.db2.gz BDJAYCJWUWOYQK-NWDGAFQWSA-N -1 3 284.400 1.724 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1CCC[C@H]2C[C@H]21)c1c[nH]cn1 ZINC000657149111 413973836 /nfs/dbraw/zinc/97/38/36/413973836.db2.gz JMXQEKFLVJAGPA-LPEHRKFASA-N -1 3 255.343 1.124 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1CCC[C@@H]2C[C@@H]21)c1cscn1 ZINC000657150838 413975955 /nfs/dbraw/zinc/97/59/55/413975955.db2.gz WMOCLVGZGDQABY-UTLUCORTSA-N -1 3 272.395 1.858 10 0 CDAEHM C[C@@]1(CC[N-]S(=O)(=O)c2ccoc2)CC1(F)F ZINC000657159740 413990434 /nfs/dbraw/zinc/99/04/34/413990434.db2.gz LAHAMPABOGDVRH-SECBINFHSA-N -1 3 265.281 1.993 10 0 CDAEHM Cn1c(CNCC2(C(=O)[O-])CCC2)nc2ccccc21 ZINC000665354208 414093265 /nfs/dbraw/zinc/09/32/65/414093265.db2.gz BRTMXQUNTXACHX-UHFFFAOYSA-N -1 3 273.336 1.918 10 0 CDAEHM O=C(c1ccc2n[n-]nc2c1)N1CC2(CC2(F)F)C1 ZINC000655191215 414167656 /nfs/dbraw/zinc/16/76/56/414167656.db2.gz HQFFTTFIEGLNJZ-UHFFFAOYSA-N -1 3 264.235 1.439 10 0 CDAEHM C[C@H](NCc1nc(=O)n(C)[n-]1)C1CCC(F)CC1 ZINC000661999409 414465531 /nfs/dbraw/zinc/46/55/31/414465531.db2.gz BJRGYFIHAJRMIE-IDKOKCKLSA-N -1 3 256.325 1.115 10 0 CDAEHM CCCN(CC(=O)[O-])Cc1cc(C(N)=O)ccc1F ZINC000038021791 174001425 /nfs/dbraw/zinc/00/14/25/174001425.db2.gz LXZHYMYPXNIBBW-UHFFFAOYSA-N -1 3 268.288 1.221 10 0 CDAEHM CCN(CCC(=O)[O-])CC(=O)N[C@H](C)c1ccccc1 ZINC000038024142 174006251 /nfs/dbraw/zinc/00/62/51/174006251.db2.gz PULJZVHGVAYXTO-GFCCVEGCSA-N -1 3 278.352 1.660 10 0 CDAEHM C[C@@H](C(=O)NC(C)(C)C)N1CCCC[C@@H]1CC(=O)[O-] ZINC000038028011 174015568 /nfs/dbraw/zinc/01/55/68/174015568.db2.gz LIMJOBXBZWOFSY-WDEREUQCSA-N -1 3 270.373 1.619 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(N)=S ZINC000040362902 174247129 /nfs/dbraw/zinc/24/71/29/174247129.db2.gz OPHRBZMEYFQELO-MRVPVSSYSA-N -1 3 294.348 1.308 10 0 CDAEHM CC[C@@](C)([N-]S(=O)(=O)c1cccs1)C(N)=S ZINC000040364673 174247675 /nfs/dbraw/zinc/24/76/75/174247675.db2.gz LUSXFFLYZRUMQQ-SECBINFHSA-N -1 3 278.424 1.481 10 0 CDAEHM CCCC[C@H](N)C(=O)NCCCCCCC(=O)[O-] ZINC000040479838 174284145 /nfs/dbraw/zinc/28/41/45/174284145.db2.gz FTRSYSBXRIVXCB-NSHDSACASA-N -1 3 258.362 1.655 10 0 CDAEHM CCC1CCC(NC(=O)C2(N)CCCC2)(C(=O)[O-])CC1 ZINC000040481461 174285564 /nfs/dbraw/zinc/28/55/64/174285564.db2.gz DQNSQTFTLLATKE-UHFFFAOYSA-N -1 3 282.384 1.798 10 0 CDAEHM CC[C@@H](C)[C@@H](N)C(=O)N(CCC(=O)[O-])c1ccccc1 ZINC000040483888 174287470 /nfs/dbraw/zinc/28/74/70/174287470.db2.gz XWMDSUNEDIUNOG-BXUZGUMPSA-N -1 3 278.352 1.868 10 0 CDAEHM O=C([O-])CN(C(=O)[C@@H]1CCCCN1)c1ccc(Cl)cc1 ZINC000040484692 174288077 /nfs/dbraw/zinc/28/80/77/174288077.db2.gz SQUUNPPUIWENAT-LBPRGKRZSA-N -1 3 296.754 1.900 10 0 CDAEHM NC1(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)CCCCC1 ZINC000040486681 174289301 /nfs/dbraw/zinc/28/93/01/174289301.db2.gz CXHJCCVXUSLOJY-LBPRGKRZSA-N -1 3 282.384 1.798 10 0 CDAEHM CN(C)CCNC(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000040530481 174316938 /nfs/dbraw/zinc/31/69/38/174316938.db2.gz BNSXWMGSKSIJGG-UHFFFAOYSA-N -1 3 277.324 1.019 10 0 CDAEHM CO[C@@H]1CN[C@H](C(=O)Nc2ccc(C)cc2C(=O)[O-])C1 ZINC000040637034 174361890 /nfs/dbraw/zinc/36/18/90/174361890.db2.gz BROPBKUTYNTYDU-CABZTGNLSA-N -1 3 278.308 1.009 10 0 CDAEHM CN1CCC[C@H](NC(=O)NC2(C(=O)[O-])CCCCCC2)C1 ZINC000040716402 174383396 /nfs/dbraw/zinc/38/33/96/174383396.db2.gz XIYGHJVZZVTUBG-LBPRGKRZSA-N -1 3 297.399 1.557 10 0 CDAEHM Cn1cc(Sc2ccc3c(c2)[N-]C(=O)C3=O)cn1 ZINC000042406282 174712549 /nfs/dbraw/zinc/71/25/49/174712549.db2.gz JCXHAPREALLVAK-UHFFFAOYSA-N -1 3 259.290 1.706 10 0 CDAEHM COc1nc2sccn2c1CN[C@H](C(=O)[O-])C(C)C ZINC000043430899 175043132 /nfs/dbraw/zinc/04/31/32/175043132.db2.gz UFOKOBKMYHHIFE-VIFPVBQESA-N -1 3 283.353 1.603 10 0 CDAEHM CCCC[C@@H](CC)CN1CCN(CC(=O)[O-])CC1 ZINC000043455884 175050000 /nfs/dbraw/zinc/05/00/00/175050000.db2.gz VDVQJRHUBXSLAA-CYBMUJFWSA-N 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KYNKJVHFOHADCZ-UHFFFAOYSA-N -1 3 259.327 1.479 10 0 CDAEHM O=C([O-])c1ccc(CNC[C@H]2COc3ccccc3O2)o1 ZINC000071380466 176144787 /nfs/dbraw/zinc/14/47/87/176144787.db2.gz HWXKXGJSXPLPGD-NSHDSACASA-N -1 3 289.287 1.907 10 0 CDAEHM CC(C)(C)[C@@H](O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000077109660 177225495 /nfs/dbraw/zinc/22/54/95/177225495.db2.gz UUUJHIFXBUVUGY-LBPRGKRZSA-N -1 3 289.372 1.901 10 0 CDAEHM COc1cc(=NC(=O)c2ccc(OC)c(F)c2)[n-]n1C ZINC000548143341 289849554 /nfs/dbraw/zinc/84/95/54/289849554.db2.gz LUJCFZCPHBKTRR-UHFFFAOYSA-N -1 3 279.271 1.251 10 0 CDAEHM C[C@@H]1CN([C@H]2CCc3ccccc32)C[C@H](C(=O)[O-])O1 ZINC000652509586 424509217 /nfs/dbraw/zinc/50/92/17/424509217.db2.gz FLUQQFMRDOXXLC-DDTOSNHZSA-N -1 3 261.321 1.848 10 0 CDAEHM CO[C@@H]1CCN(Cc2nc(C)cc(=O)[n-]2)[C@H](C)C1 ZINC000799345306 687057628 /nfs/dbraw/zinc/05/76/28/687057628.db2.gz XWYKCNAAJHKJLT-GHMZBOCLSA-N -1 3 251.330 1.490 10 0 CDAEHM Cc1cccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)n1 ZINC000526960127 270651042 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CDAEHM CCN(Cc1nc2ccccc2[nH]c1=O)C(C)(C)C(=O)[O-] ZINC000061176239 521453814 /nfs/dbraw/zinc/45/38/14/521453814.db2.gz ZCKXAXPPDOOYJD-UHFFFAOYSA-N -1 3 289.335 1.608 10 0 CDAEHM CCN1CCC(N(C)c2cccc(C(=O)[O-])n2)CC1 ZINC000051067224 521567709 /nfs/dbraw/zinc/56/77/09/521567709.db2.gz AVCGJJUBZYJHED-UHFFFAOYSA-N -1 3 263.341 1.700 10 0 CDAEHM CNCc1ccccc1NC(=O)N(CC(=O)[O-])CC(C)C ZINC000062744114 522137715 /nfs/dbraw/zinc/13/77/15/522137715.db2.gz IIJIBKSGUZQQQE-UHFFFAOYSA-N -1 3 293.367 1.981 10 0 CDAEHM COc1cc(C(=O)[N-]c2cccc(-c3ncon3)c2)on1 ZINC000156365449 522157962 /nfs/dbraw/zinc/15/79/62/522157962.db2.gz XXHQOMPBCFIUQT-UHFFFAOYSA-N -1 3 286.247 1.986 10 0 CDAEHM O=C(NC[C@H]1CSCCS1)c1cccc([O-])c1 ZINC000166981628 534656689 /nfs/dbraw/zinc/65/66/89/534656689.db2.gz NYOZGALKMWRPFV-NSHDSACASA-N -1 3 269.391 1.971 10 0 CDAEHM CCn1c(=O)[n-]nc1Sc1ccnc(Cl)n1 ZINC000061595955 523096296 /nfs/dbraw/zinc/09/62/96/523096296.db2.gz LZMSDHOCDKIKTE-UHFFFAOYSA-N -1 3 257.706 1.186 10 0 CDAEHM 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970569290 /nfs/dbraw/zinc/56/92/90/970569290.db2.gz IMMBDYJKYIIWNO-LLVKDONJSA-N -1 3 297.355 1.855 10 0 CDAEHM C[C@@H](NC(=O)[C@@H]1CCC(=O)C1)c1nc(C(F)(F)F)n[n-]1 ZINC001472110073 970576912 /nfs/dbraw/zinc/57/69/12/970576912.db2.gz CAVFTSAWWMLFSF-PHDIDXHHSA-N -1 3 290.245 1.370 10 0 CDAEHM Cc1cccc(O[C@H](C)CNC(=O)c2cnncc2[O-])c1 ZINC001361895048 970651411 /nfs/dbraw/zinc/65/14/11/970651411.db2.gz SXAOGHUSNCDJQM-LLVKDONJSA-N -1 3 287.319 1.688 10 0 CDAEHM Cc1ncccc1[C@@H](C)OC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC001417567762 973160383 /nfs/dbraw/zinc/16/03/83/973160383.db2.gz GMPUCAFKMRUKCI-SSDOTTSWSA-N -1 3 290.279 1.091 10 0 CDAEHM CC(C)C(C)(C)C(=O)N[C@H](C)CCNCc1n[nH]c(=O)[n-]1 ZINC001497190381 973236815 /nfs/dbraw/zinc/23/68/15/973236815.db2.gz IBAKMUMQVLLPAK-SNVBAGLBSA-N -1 3 297.403 1.177 10 0 CDAEHM C[C@H](CCCNC(=O)CC1(C)CC1)NC(=O)c1cn[n-]n1 ZINC001510058291 975920470 /nfs/dbraw/zinc/92/04/70/975920470.db2.gz PZIXAGKHUKKQRN-SNVBAGLBSA-N -1 3 293.371 1.010 10 0 CDAEHM 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ZINC000126782344 392587054 /nfs/dbraw/zinc/58/70/54/392587054.db2.gz TXCVNYWCLLIIAT-UHFFFAOYSA-N -1 3 297.112 1.828 10 0 CDAEHM COc1nc(NC(=O)c2cccc(Br)c2)n[n-]1 ZINC000126782344 392587058 /nfs/dbraw/zinc/58/70/58/392587058.db2.gz TXCVNYWCLLIIAT-UHFFFAOYSA-N -1 3 297.112 1.828 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cccc(Br)c2)n1 ZINC000126782344 392587062 /nfs/dbraw/zinc/58/70/62/392587062.db2.gz TXCVNYWCLLIIAT-UHFFFAOYSA-N -1 3 297.112 1.828 10 0 CDAEHM COc1cc(CC(=O)NCc2ccc([O-])c(F)c2)ccn1 ZINC000646840598 393013297 /nfs/dbraw/zinc/01/32/97/393013297.db2.gz PPHKNUXKZZNOFQ-UHFFFAOYSA-N -1 3 290.294 1.794 10 0 CDAEHM Cc1nc(C(=O)Nc2cc(F)ccc2[O-])c(=O)[nH]c1C ZINC000132131693 393088807 /nfs/dbraw/zinc/08/88/07/393088807.db2.gz NOWGFAXYAXPCHF-UHFFFAOYSA-N -1 3 277.255 1.484 10 0 CDAEHM CO[C@H]1C[C@H](NC(=O)NCc2ncccc2[O-])C12CCC2 ZINC000459246226 393038712 /nfs/dbraw/zinc/03/87/12/393038712.db2.gz ICNZNBMRKDVHJH-STQMWFEESA-N -1 3 291.351 1.544 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cnnc(C)c1 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ZINC000220327864 140168287 /nfs/dbraw/zinc/16/82/87/140168287.db2.gz LGMLEDXDHHLOSY-UHFFFAOYSA-N -1 3 266.232 1.213 10 0 CDAEHM COc1nc(NC(=O)c2ccc(OC)cc2F)n[n-]1 ZINC000220327864 140168289 /nfs/dbraw/zinc/16/82/89/140168289.db2.gz LGMLEDXDHHLOSY-UHFFFAOYSA-N -1 3 266.232 1.213 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(OC)cc2F)n1 ZINC000220327864 140168291 /nfs/dbraw/zinc/16/82/91/140168291.db2.gz LGMLEDXDHHLOSY-UHFFFAOYSA-N -1 3 266.232 1.213 10 0 CDAEHM Cc1cc(C(=O)NCCCn2ccnn2)ccc1[O-] ZINC000230180987 140208201 /nfs/dbraw/zinc/20/82/01/140208201.db2.gz BHCGSQBMWCYGFA-UHFFFAOYSA-N -1 3 260.297 1.112 10 0 CDAEHM CO[C@@H]1CCC[C@H]([C@@H](CO)[N-]c2nnc(C(F)F)o2)C1 ZINC000664201629 413143726 /nfs/dbraw/zinc/14/37/26/413143726.db2.gz UEPJOXKHXVYRLK-DJLDLDEBSA-N -1 3 291.298 1.985 10 0 CDAEHM CC[C@H](CS(=O)(=O)[N-]c1cc(C)cnc1C)OC ZINC000650489490 398016129 /nfs/dbraw/zinc/01/61/29/398016129.db2.gz OMOBAGLFLHSINN-LLVKDONJSA-N -1 3 272.370 1.865 10 0 CDAEHM COc1nc(NC(=O)[C@H]2C[C@@H]2C2CCCC2)n[n-]1 ZINC000651634361 398131246 /nfs/dbraw/zinc/13/12/46/398131246.db2.gz YOHBWQOCCFQUFQ-BDAKNGLRSA-N -1 3 250.302 1.578 10 0 CDAEHM COc1nnc(NC(=O)[C@H]2C[C@@H]2C2CCCC2)[n-]1 ZINC000651634361 398131250 /nfs/dbraw/zinc/13/12/50/398131250.db2.gz YOHBWQOCCFQUFQ-BDAKNGLRSA-N -1 3 250.302 1.578 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H]2C[C@@H]2C2CCCC2)n1 ZINC000651634361 398131253 /nfs/dbraw/zinc/13/12/53/398131253.db2.gz YOHBWQOCCFQUFQ-BDAKNGLRSA-N -1 3 250.302 1.578 10 0 CDAEHM [O-]c1cccc(CNCC[C@@]2(O)CCOC2)c1Cl ZINC000404187234 413196166 /nfs/dbraw/zinc/19/61/66/413196166.db2.gz LMRUCDGZUNMAFW-CYBMUJFWSA-N -1 3 271.744 1.677 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1 ZINC000284457228 292163453 /nfs/dbraw/zinc/16/34/53/292163453.db2.gz LABKTNNOCVJGPN-DZGCQCFKSA-N -1 3 290.363 1.246 10 0 CDAEHM Cc1ccc([O-])c(CN2CC(=O)N[C@H]3CCCC[C@@H]32)n1 ZINC000092703057 292164247 /nfs/dbraw/zinc/16/42/47/292164247.db2.gz KDQAATIPBMNEBC-AAEUAGOBSA-N -1 3 275.352 1.339 10 0 CDAEHM C[C@@H](NC(=O)c1cccc([O-])c1)c1nnc2ccccn21 ZINC000178738585 148083358 /nfs/dbraw/zinc/08/33/58/148083358.db2.gz XZZUSZOHPVPBHV-SNVBAGLBSA-N -1 3 282.303 1.926 10 0 CDAEHM C[C@@H](NC(=O)c1cccc([O-])c1)[C@@H](C)N1CCOCC1 ZINC000182387630 148259739 /nfs/dbraw/zinc/25/97/39/148259739.db2.gz IONVDKRYXWCRFY-VXGBXAGGSA-N -1 3 278.352 1.231 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](C)OCCC(C)C)[n-]1 ZINC000182991900 148281249 /nfs/dbraw/zinc/28/12/49/148281249.db2.gz QDYQXDZYBWQZIT-MRVPVSSYSA-N -1 3 256.306 1.203 10 0 CDAEHM COc1nc(NC(=O)[C@@H](C)OCCC(C)C)n[n-]1 ZINC000182991900 148281253 /nfs/dbraw/zinc/28/12/53/148281253.db2.gz QDYQXDZYBWQZIT-MRVPVSSYSA-N -1 3 256.306 1.203 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](C)OCCC(C)C)n1 ZINC000182991900 148281255 /nfs/dbraw/zinc/28/12/55/148281255.db2.gz QDYQXDZYBWQZIT-MRVPVSSYSA-N -1 3 256.306 1.203 10 0 CDAEHM Cc1cccc([O-])c1NC(=O)CNC(=O)c1cccnc1 ZINC000183044683 148283821 /nfs/dbraw/zinc/28/38/21/148283821.db2.gz CSMNIGUJTGYKHK-UHFFFAOYSA-N -1 3 285.303 1.464 10 0 CDAEHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cncc(F)c1 ZINC000352486488 155219221 /nfs/dbraw/zinc/21/92/21/155219221.db2.gz RIVDMEBPSHBTHN-VIFPVBQESA-N -1 3 260.334 1.791 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1cc(-c2ccccn2)no1 ZINC000352502227 155232568 /nfs/dbraw/zinc/23/25/68/155232568.db2.gz RPGRPWCAFMKWMH-UHFFFAOYSA-N -1 3 296.286 1.767 10 0 CDAEHM CC(=O)N[C@H](CC1CCC1)C(=O)NCc1ncccc1[O-] ZINC000352511191 155239673 /nfs/dbraw/zinc/23/96/73/155239673.db2.gz WZAPNIKYXKLVNA-GFCCVEGCSA-N -1 3 291.351 1.098 10 0 CDAEHM CN(C(=O)c1ccccc1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000335844375 151068181 /nfs/dbraw/zinc/06/81/81/151068181.db2.gz QPIMLGNZWLZWDQ-GFCCVEGCSA-N -1 3 260.337 1.701 10 0 CDAEHM NC(=O)[C@@H]1CCC[C@@H](NCc2c(F)ccc([O-])c2F)C1 ZINC000352603022 155297663 /nfs/dbraw/zinc/29/76/63/155297663.db2.gz GAMRRKOCGSDYDX-RKDXNWHRSA-N -1 3 284.306 1.804 10 0 CDAEHM C[C@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)[C@H]1C ZINC000335960914 151150998 /nfs/dbraw/zinc/15/09/98/151150998.db2.gz VNFCJVSNYGGIED-UWVGGRQHSA-N -1 3 282.365 1.539 10 0 CDAEHM COC(=O)c1cccc2nc(NC(=O)C(C)(C)OC)[n-]c21 ZINC000179774925 260068319 /nfs/dbraw/zinc/06/83/19/260068319.db2.gz GHCITCHJXZNFLI-UHFFFAOYSA-N -1 3 291.307 1.713 10 0 CDAEHM COC(=O)c1cccc2[n-]c(NC(=O)C(C)(C)OC)nc21 ZINC000179774925 260068320 /nfs/dbraw/zinc/06/83/20/260068320.db2.gz GHCITCHJXZNFLI-UHFFFAOYSA-N -1 3 291.307 1.713 10 0 CDAEHM COc1cc(C(=O)NCc2cscn2)cc(OC)c1[O-] ZINC000343365272 152141795 /nfs/dbraw/zinc/14/17/95/152141795.db2.gz IESOSZQEODKHKR-UHFFFAOYSA-N -1 3 294.332 1.796 10 0 CDAEHM COc1cc(C(=O)NCC[C@H](O)C(F)(F)F)ccc1[O-] ZINC000343766034 152295692 /nfs/dbraw/zinc/29/56/92/152295692.db2.gz OMZAWSPTFVCPOC-JTQLQIEISA-N -1 3 293.241 1.444 10 0 CDAEHM CCc1noc(C)c1[N-]C(=O)c1cn(C(C)C)nn1 ZINC000343789654 152303364 /nfs/dbraw/zinc/30/33/64/152303364.db2.gz RNTCUVXJSJDLSP-UHFFFAOYSA-N -1 3 263.301 1.970 10 0 CDAEHM CCC(=O)c1ccc(C(=O)Nc2nnc(OC)[n-]2)cc1 ZINC000352684457 155362327 /nfs/dbraw/zinc/36/23/27/155362327.db2.gz MGPPSKFXUITWRV-UHFFFAOYSA-N -1 3 274.280 1.658 10 0 CDAEHM CCC(=O)c1ccc(C(=O)Nc2n[n-]c(OC)n2)cc1 ZINC000352684457 155362330 /nfs/dbraw/zinc/36/23/30/155362330.db2.gz MGPPSKFXUITWRV-UHFFFAOYSA-N -1 3 274.280 1.658 10 0 CDAEHM CCC(=O)c1ccc(C(=O)Nc2nc(OC)n[n-]2)cc1 ZINC000352684457 155362332 /nfs/dbraw/zinc/36/23/32/155362332.db2.gz MGPPSKFXUITWRV-UHFFFAOYSA-N -1 3 274.280 1.658 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-]Cc1ccccn1 ZINC000346430746 153183524 /nfs/dbraw/zinc/18/35/24/153183524.db2.gz CVUHQHUXMAIKRU-UHFFFAOYSA-N -1 3 293.348 1.354 10 0 CDAEHM Cc1nnc([N-]C(=O)C(=O)c2ccc(F)cc2)n1C1CC1 ZINC000347595938 153587072 /nfs/dbraw/zinc/58/70/72/153587072.db2.gz FCASKFZHDPITIB-UHFFFAOYSA-N -1 3 288.282 1.882 10 0 CDAEHM COCCC1(CNC(=O)NCc2ncccc2[O-])CCC1 ZINC000349571562 154143347 /nfs/dbraw/zinc/14/33/47/154143347.db2.gz VYGGVSXXHPAYLK-UHFFFAOYSA-N -1 3 293.367 1.793 10 0 CDAEHM COC(C)(C)CS(=O)(=O)[N-][C@H](C)C(=O)OC(C)(C)C ZINC000349624185 154155778 /nfs/dbraw/zinc/15/57/78/154155778.db2.gz GBLOZGJDZBATKJ-SECBINFHSA-N -1 3 295.401 1.061 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)CCCCC(N)=O)n1 ZINC000352350553 155112441 /nfs/dbraw/zinc/11/24/41/155112441.db2.gz OGQREUQEJVTBTL-UHFFFAOYSA-N -1 3 251.286 1.080 10 0 CDAEHM CN(C)C[C@H]1CCCN1C(=O)c1csc(=NC2CC2)[n-]1 ZINC000356209488 157399101 /nfs/dbraw/zinc/39/91/01/157399101.db2.gz DRIZBBCSQLJVOJ-LLVKDONJSA-N -1 3 294.424 1.306 10 0 CDAEHM FC(F)(F)c1nnc(CNc2ccnc(C3CC3)n2)[n-]1 ZINC000359670497 158329640 /nfs/dbraw/zinc/32/96/40/158329640.db2.gz JBLPXSKKOKZJOW-UHFFFAOYSA-N -1 3 284.245 1.525 10 0 CDAEHM FC(F)(F)c1nc(CNc2ccnc(C3CC3)n2)n[n-]1 ZINC000359670497 158329644 /nfs/dbraw/zinc/32/96/44/158329644.db2.gz JBLPXSKKOKZJOW-UHFFFAOYSA-N -1 3 284.245 1.525 10 0 CDAEHM FC(F)(F)c1n[n-]c(CNc2ccnc(C3CC3)n2)n1 ZINC000359670497 158329648 /nfs/dbraw/zinc/32/96/48/158329648.db2.gz JBLPXSKKOKZJOW-UHFFFAOYSA-N -1 3 284.245 1.525 10 0 CDAEHM CCc1cc(C(=O)NCC[C@H](C)[S@](C)=O)ccc1[O-] ZINC000362927956 159270751 /nfs/dbraw/zinc/27/07/51/159270751.db2.gz NKXZKOPJZRGMHF-OVWNDWIMSA-N -1 3 283.393 1.842 10 0 CDAEHM CC(C)(C)N[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000006882614 170252835 /nfs/dbraw/zinc/25/28/35/170252835.db2.gz JONSXNRTEKVEAE-UHFFFAOYSA-N -1 3 263.750 1.316 10 0 CDAEHM NC(=S)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000019472278 170805132 /nfs/dbraw/zinc/80/51/32/170805132.db2.gz UEWOETXBUUFBLH-UHFFFAOYSA-N -1 3 298.311 1.161 10 0 CDAEHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NN)nc1 ZINC000020551959 171247335 /nfs/dbraw/zinc/24/73/35/171247335.db2.gz PAGDLLSVMBDDLV-UHFFFAOYSA-N -1 3 278.337 1.476 10 0 CDAEHM O=C(Cc1cncc([O-])c1)NCCC1(F)CCC1 ZINC000655399992 412176769 /nfs/dbraw/zinc/17/67/69/412176769.db2.gz VSPWKYDDVSSQIX-UHFFFAOYSA-N -1 3 252.289 1.728 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CCC[C@@H](OC(F)F)C1 ZINC000655392920 412169157 /nfs/dbraw/zinc/16/91/57/412169157.db2.gz GSEGTTNEEXPGJZ-LLVKDONJSA-N -1 3 286.278 1.560 10 0 CDAEHM O=C([O-])CCNCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000035386314 172169107 /nfs/dbraw/zinc/16/91/07/172169107.db2.gz ZYVYSLBCFPWNNE-VXGBXAGGSA-N -1 3 268.357 1.232 10 0 CDAEHM CC(C)(CO)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000035608176 172293586 /nfs/dbraw/zinc/29/35/86/172293586.db2.gz NAQJTWANNSNTDS-UHFFFAOYSA-N -1 3 260.293 1.029 10 0 CDAEHM CC(C)[C@@](C)(CC(=O)NC1CCN(C)CC1)C(=O)[O-] ZINC000035720560 172375558 /nfs/dbraw/zinc/37/55/58/172375558.db2.gz TYLLWVRMRAXVAD-CQSZACIVSA-N -1 3 270.373 1.334 10 0 CDAEHM O=C([O-])C12CC(C1)CN2Cc1cncn1Cc1ccccc1 ZINC000656761198 413618913 /nfs/dbraw/zinc/61/89/13/413618913.db2.gz NZMMCEVDXCPKBS-UHFFFAOYSA-N -1 3 297.358 1.980 10 0 CDAEHM COc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)nc1 ZINC000654838897 413754266 /nfs/dbraw/zinc/75/42/66/413754266.db2.gz LRXRUQHEDYFPGK-UHFFFAOYSA-N -1 3 286.291 1.716 10 0 CDAEHM CC[C@@H]1CCCCN1CCNC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663106504 413938465 /nfs/dbraw/zinc/93/84/65/413938465.db2.gz ZVMITYGVVGYIHA-OLZOCXBDSA-N -1 3 282.384 1.478 10 0 CDAEHM C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C1(C(=O)[O-])CCC1 ZINC000663107050 413939201 /nfs/dbraw/zinc/93/92/01/413939201.db2.gz DRLAUYBZYBWVKA-VXGBXAGGSA-N -1 3 282.384 1.620 10 0 CDAEHM CCCN1CCC[C@H]1C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663153077 414006862 /nfs/dbraw/zinc/00/68/62/414006862.db2.gz IDXVUHLBIXBRGX-STQMWFEESA-N -1 3 282.384 1.478 10 0 CDAEHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2C[C@H](O)C23CCC3)c[nH]1 ZINC000657185024 414015501 /nfs/dbraw/zinc/01/55/01/414015501.db2.gz BQAXAOMDQVJJGW-ZJUUUORDSA-N -1 3 299.396 1.115 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H]1CCC[C@H](C)O1 ZINC000657157470 413983392 /nfs/dbraw/zinc/98/33/92/413983392.db2.gz UFBIWVZWKVLVKJ-GZMMTYOYSA-N -1 3 288.369 1.527 10 0 CDAEHM O=C([O-])[C@@H](NC1CC1)c1cnn(-c2ccccc2)c1 ZINC000037183632 173015815 /nfs/dbraw/zinc/01/58/15/173015815.db2.gz BIICRHVJZWQPIM-ZDUSSCGKSA-N -1 3 257.293 1.750 10 0 CDAEHM CC(C)(C)N1CC[C@@H]1CNC(=O)NCc1ncccc1[O-] ZINC000661404977 414061084 /nfs/dbraw/zinc/06/10/84/414061084.db2.gz TYXHHGPMXALKCL-LLVKDONJSA-N -1 3 292.383 1.459 10 0 CDAEHM Nc1cc(=O)[n-]c(Cc2cccc(Br)c2)n1 ZINC000037504464 173239940 /nfs/dbraw/zinc/23/99/40/173239940.db2.gz LGYGUOLCWNVXGO-UHFFFAOYSA-N -1 3 280.125 1.705 10 0 CDAEHM O=S(=O)([N-]C1(CO)CC1)c1ccc(Cl)c(F)c1 ZINC000659936831 414280095 /nfs/dbraw/zinc/28/00/95/414280095.db2.gz VYXLEGFQSLXTRL-UHFFFAOYSA-N -1 3 279.720 1.282 10 0 CDAEHM CC[C@H](NC(=O)c1ccc(OC)cc1[O-])C(N)=S ZINC000040353454 174245336 /nfs/dbraw/zinc/24/53/36/174245336.db2.gz VTAGEPUXYURLGI-VIFPVBQESA-N -1 3 268.338 1.195 10 0 CDAEHM CC[C@H](C)NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000040422108 174258104 /nfs/dbraw/zinc/25/81/04/174258104.db2.gz QJCPSBJXZPKXBW-VIFPVBQESA-N -1 3 250.298 1.711 10 0 CDAEHM CC(C)C[C@@H](N)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000040479500 174283789 /nfs/dbraw/zinc/28/37/89/174283789.db2.gz ODLLYCPDKMKLCU-SNVBAGLBSA-N -1 3 256.346 1.264 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)N1c2ccccc2C[C@H]1C(=O)[O-] ZINC000040480784 174284701 /nfs/dbraw/zinc/28/47/01/174284701.db2.gz FGKFOCXFRXRONM-XDTLVQLUSA-N -1 3 276.336 1.402 10 0 CDAEHM CC(C)C[C@H](N)C(=O)N1c2ccccc2C[C@H]1C(=O)[O-] ZINC000040480775 174284810 /nfs/dbraw/zinc/28/48/10/174284810.db2.gz IXVQKKALRWEOMV-AAEUAGOBSA-N -1 3 276.336 1.402 10 0 CDAEHM CC[C@@H](N)C(=O)N(CCC(=O)[O-])c1ccc(C)cc1 ZINC000040483758 174286866 /nfs/dbraw/zinc/28/68/66/174286866.db2.gz YLIJNDTTYBKGPF-GFCCVEGCSA-N -1 3 264.325 1.540 10 0 CDAEHM Cc1ccccc1N(CCC(=O)[O-])C(=O)CNC(C)C ZINC000040483963 174287456 /nfs/dbraw/zinc/28/74/56/174287456.db2.gz LGVXHKPWQGFJSA-UHFFFAOYSA-N -1 3 278.352 1.801 10 0 CDAEHM CCC[C@H](N)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000040484919 174288455 /nfs/dbraw/zinc/28/84/55/174288455.db2.gz AQQCDZOLEUAKNF-QWHCGFSZSA-N -1 3 278.352 1.836 10 0 CDAEHM CC(C)C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000040486799 174289624 /nfs/dbraw/zinc/28/96/24/174289624.db2.gz GLADYVJSTRTQRN-KBPBESRZSA-N -1 3 290.363 1.398 10 0 CDAEHM CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000040486870 174289705 /nfs/dbraw/zinc/28/97/05/174289705.db2.gz MXOSWNJPSOBOLW-YUSALJHKSA-N -1 3 264.325 1.302 10 0 CDAEHM C[C@@H](N)C(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000040764766 174397581 /nfs/dbraw/zinc/39/75/81/174397581.db2.gz LEXNHHLKDFADND-RXMQYKEDSA-N -1 3 276.214 1.689 10 0 CDAEHM C[C@H](C(=O)NC(C)(C)C)N1CCC[C@@H]1CC(=O)[O-] ZINC000042163695 174646087 /nfs/dbraw/zinc/64/60/87/174646087.db2.gz GTUSPNYQEKQLJR-NXEZZACHSA-N -1 3 256.346 1.229 10 0 CDAEHM O=C([O-])CC1(CNC(=O)CNC2CC2)CCCCC1 ZINC000043413721 175037345 /nfs/dbraw/zinc/03/73/45/175037345.db2.gz RHUJJDKSLAUZOF-UHFFFAOYSA-N -1 3 268.357 1.280 10 0 CDAEHM [O-]c1ccc(CNC[C@@H]2COCCO2)cc1Cl ZINC000043488370 175056313 /nfs/dbraw/zinc/05/63/13/175056313.db2.gz SJARPBYUBICGRI-SNVBAGLBSA-N -1 3 257.717 1.551 10 0 CDAEHM N[C@H](CC(=O)[O-])c1sccc1Br ZINC000044215454 175154361 /nfs/dbraw/zinc/15/43/61/175154361.db2.gz FWCMBXHTVPDSKC-RXMQYKEDSA-N -1 3 250.117 1.985 10 0 CDAEHM COC(=O)CCN(C)C(=O)c1cccc(C)c1[O-] ZINC000044350614 175166053 /nfs/dbraw/zinc/16/60/53/175166053.db2.gz JTYRMKPWDDGEIJ-UHFFFAOYSA-N -1 3 251.282 1.336 10 0 CDAEHM CCOC(=O)CN(C)C(=O)c1cccc(OC)c1[O-] ZINC000044390047 175170573 /nfs/dbraw/zinc/17/05/73/175170573.db2.gz HIWKJMJLMBTYNO-UHFFFAOYSA-N -1 3 267.281 1.036 10 0 CDAEHM CC[C@H](C(=O)[O-])N(C)C(=O)N[C@H](CN(C)C)C(C)C ZINC000044646069 175222830 /nfs/dbraw/zinc/22/28/30/175222830.db2.gz BCHXNYUNCNTVPY-GHMZBOCLSA-N -1 3 273.377 1.077 10 0 CDAEHM CC[C@@H](C(=O)[O-])N(C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000044646168 175222853 /nfs/dbraw/zinc/22/28/53/175222853.db2.gz GOPVZANNIHPYSE-RYUDHWBXSA-N -1 3 287.404 1.467 10 0 CDAEHM CCCNCC(=O)N(CC(=O)[O-])c1ccc(C)cc1 ZINC000044651080 175225135 /nfs/dbraw/zinc/22/51/35/175225135.db2.gz OGNGWHQVTKGCEM-UHFFFAOYSA-N -1 3 264.325 1.412 10 0 CDAEHM CCC[C@@H](N)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000044750470 175244888 /nfs/dbraw/zinc/24/48/88/175244888.db2.gz CXNSTKPIOZTKQY-LLVKDONJSA-N -1 3 250.298 1.759 10 0 CDAEHM CN(C)C(=O)CCNc1c(C(=O)[O-])cnc2ccccc21 ZINC000045010971 175289930 /nfs/dbraw/zinc/28/99/30/175289930.db2.gz FFRPVPIWBNQZDJ-UHFFFAOYSA-N -1 3 287.319 1.823 10 0 CDAEHM C[C@@H](CNC(=O)N(CC(=O)[O-])c1ccccc1)N(C)C ZINC000045111794 175310662 /nfs/dbraw/zinc/31/06/62/175310662.db2.gz YOYNIUBVZARGRX-NSHDSACASA-N -1 3 279.340 1.237 10 0 CDAEHM Cc1ncc(-c2nc(-c3cccc(F)c3)no2)c(=O)[n-]1 ZINC000045918573 175386060 /nfs/dbraw/zinc/38/60/60/175386060.db2.gz LGDGGURFBZMOBP-UHFFFAOYSA-N -1 3 272.239 1.934 10 0 CDAEHM CN(C)CCN(C)c1nc2ccccc2cc1C(=O)[O-] ZINC000070943312 176016136 /nfs/dbraw/zinc/01/61/36/176016136.db2.gz FDQJQFXALFIRTO-UHFFFAOYSA-N -1 3 273.336 1.931 10 0 CDAEHM Cc1cccc(NC(=O)NCCN(C)C2CC2)c1C(=O)[O-] ZINC000071172164 176052251 /nfs/dbraw/zinc/05/22/51/176052251.db2.gz AYPDIQDPYHKPLX-UHFFFAOYSA-N -1 3 291.351 1.909 10 0 CDAEHM C[C@H](CN1CCCC1)Nc1cnc(C(=O)[O-])cn1 ZINC000071181813 176057219 /nfs/dbraw/zinc/05/72/19/176057219.db2.gz LRWHKMBKIQXYLN-SECBINFHSA-N -1 3 250.302 1.071 10 0 CDAEHM O=C(CCC1CCCCC1)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000072290723 176361404 /nfs/dbraw/zinc/36/14/04/176361404.db2.gz BDMIDPQDYUFYBO-OAHLLOKOSA-N -1 3 293.367 1.157 10 0 CDAEHM O=C(Cc1ccccc1)Nc1nnc(SCCO)[n-]1 ZINC000179647843 260060542 /nfs/dbraw/zinc/06/05/42/260060542.db2.gz GIFABSAJPQXWPI-UHFFFAOYSA-N -1 3 278.337 1.070 10 0 CDAEHM O=C(Cc1ccccc1)Nc1nc(SCCO)n[n-]1 ZINC000179647843 260060544 /nfs/dbraw/zinc/06/05/44/260060544.db2.gz GIFABSAJPQXWPI-UHFFFAOYSA-N -1 3 278.337 1.070 10 0 CDAEHM O=C(Cc1ccccc1)Nc1n[n-]c(SCCO)n1 ZINC000179647843 260060545 /nfs/dbraw/zinc/06/05/45/260060545.db2.gz GIFABSAJPQXWPI-UHFFFAOYSA-N -1 3 278.337 1.070 10 0 CDAEHM CCOC(=O)CN(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000072075611 260274978 /nfs/dbraw/zinc/27/49/78/260274978.db2.gz LBYITMRXSWWDLE-UHFFFAOYSA-N -1 3 291.347 1.906 10 0 CDAEHM CN(CCCNC(=O)C(C)(C)C(=O)[O-])Cc1ccccc1 ZINC000213081081 423960199 /nfs/dbraw/zinc/96/01/99/423960199.db2.gz NXEGBAHPUWCSGF-UHFFFAOYSA-N -1 3 292.379 1.736 10 0 CDAEHM CCN=c1[n-]c(C(=O)Nc2cc(COC)ccn2)cs1 ZINC000653042316 424146711 /nfs/dbraw/zinc/14/67/11/424146711.db2.gz JUFREWAAEYTCQT-UHFFFAOYSA-N -1 3 292.364 1.791 10 0 CDAEHM CSc1cccnc1[N-]C(=O)c1cc2n(n1)CCO2 ZINC000652877477 424421117 /nfs/dbraw/zinc/42/11/17/424421117.db2.gz AEZUADSZMXWWSA-UHFFFAOYSA-N -1 3 276.321 1.645 10 0 CDAEHM O=C([O-])[C@@]1(C(=O)N2CCN3CCC[C@H]3C2)CC=CCC1 ZINC000653303521 424533696 /nfs/dbraw/zinc/53/36/96/424533696.db2.gz QNHFRRJWRLKIJU-WFASDCNBSA-N -1 3 278.352 1.104 10 0 CDAEHM C[C@H](C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1)C1CCCC1 ZINC000651978427 424606679 /nfs/dbraw/zinc/60/66/79/424606679.db2.gz KTGRIMDCJSTXDP-CMPLNLGQSA-N -1 3 291.399 1.717 10 0 CDAEHM C[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000528284779 270793545 /nfs/dbraw/zinc/79/35/45/270793545.db2.gz BJEMEKCEKDMRIP-UHFFFAOYSA-N -1 3 285.243 1.502 10 0 CDAEHM C[C@@]1(C(=O)Nc2cccc([O-])c2F)CCC(=O)NC1 ZINC000336361396 278120126 /nfs/dbraw/zinc/12/01/26/278120126.db2.gz WRHMKSASFWCQRY-CYBMUJFWSA-N -1 3 266.272 1.386 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2CC[C@H](O)C2(C)C)cc1[O-] ZINC000412361060 278245664 /nfs/dbraw/zinc/24/56/64/278245664.db2.gz SLHKFDGABBSRDK-ZDUSSCGKSA-N -1 3 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CO[C@H](C)c1nc(=N[C@@H](C)C2=CCN(C)CC2)s[n-]1 ZINC000560937724 293040531 /nfs/dbraw/zinc/04/05/31/293040531.db2.gz QEONTRHEPMQILN-VHSXEESVSA-N -1 3 282.413 1.730 10 0 CDAEHM COC(=O)CCCCC(=O)N=c1cc2ccccn2[n-]1 ZINC000561148213 293054837 /nfs/dbraw/zinc/05/48/37/293054837.db2.gz RUWDDFVLOZKBAB-UHFFFAOYSA-N -1 3 275.308 1.428 10 0 CDAEHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1cscn1 ZINC000563062664 293261102 /nfs/dbraw/zinc/26/11/02/293261102.db2.gz FROIUVUUYOAWSU-JTQLQIEISA-N -1 3 292.426 1.465 10 0 CDAEHM C[C@H](C(=O)NC1CCCC1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000563123985 293283043 /nfs/dbraw/zinc/28/30/43/293283043.db2.gz HHUMMKLBRITODN-NQBHXWOUSA-N -1 3 282.384 1.476 10 0 CDAEHM O=C([O-])COCCN1CCC[C@@H]1c1cccs1 ZINC000563279124 293331777 /nfs/dbraw/zinc/33/17/77/293331777.db2.gz PCANAURMMMWMNL-SNVBAGLBSA-N -1 3 255.339 1.986 10 0 CDAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccno3)cn21 ZINC000564548251 293369501 /nfs/dbraw/zinc/36/95/01/293369501.db2.gz GGBNGDCOBXYWJC-VIFPVBQESA-N -1 3 296.352 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3 273.289 1.090 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)[C@@H]2CC[C@@H](C)O2)n[n-]1 ZINC000180926369 323222747 /nfs/dbraw/zinc/22/27/47/323222747.db2.gz ZQPREHIGJRVLFR-APPZFPTMSA-N -1 3 267.285 1.092 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)[C@@H]2CC[C@@H](C)O2)[n-]n1 ZINC000180926369 323222748 /nfs/dbraw/zinc/22/27/48/323222748.db2.gz ZQPREHIGJRVLFR-APPZFPTMSA-N -1 3 267.285 1.092 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@H](C)[C@H]2CCCOC2)sc1C ZINC000386809476 323749815 /nfs/dbraw/zinc/74/98/15/323749815.db2.gz PNWJKGBNTIAARF-SCZZXKLOSA-N -1 3 284.381 1.887 10 0 CDAEHM CN(CCOCC(=O)[O-])Cc1cccc(Cl)c1 ZINC000578995333 324076395 /nfs/dbraw/zinc/07/63/95/324076395.db2.gz INZHRKCWTKGTMH-UHFFFAOYSA-N -1 3 257.717 1.873 10 0 CDAEHM O=C(NCc1ncccc1[O-])NC[C@@H]1COc2ccccc21 ZINC000579767562 324275275 /nfs/dbraw/zinc/27/52/75/324275275.db2.gz KUHWIPFWCQLNBU-LLVKDONJSA-N -1 3 299.330 1.763 10 0 CDAEHM CCC(CC)(CCO)CNC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000579784926 324277225 /nfs/dbraw/zinc/27/72/25/324277225.db2.gz 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483232404 /nfs/dbraw/zinc/23/24/04/483232404.db2.gz BBVAEBYZKASGRX-ZIAGYGMSSA-N -1 3 296.317 1.790 10 0 CDAEHM CC(C)[C@H](NC(=O)c1cccc([O-])c1)C(=O)N1CCCC1 ZINC000679635667 483402590 /nfs/dbraw/zinc/40/25/90/483402590.db2.gz FRVVMJFYLNOPOO-AWEZNQCLSA-N -1 3 290.363 1.769 10 0 CDAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCC[C@@H]32)s1 ZINC000683763415 483630914 /nfs/dbraw/zinc/63/09/14/483630914.db2.gz PRTORHZJSDSKLD-ILWJIGKKSA-N -1 3 272.395 1.837 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCN2C)c(F)c1F ZINC000921412141 1161230411 /nfs/dbraw/zinc/23/04/11/1161230411.db2.gz HBEPOGRKWJRJBF-SECBINFHSA-N -1 3 290.335 1.256 10 0 CDAEHM CC(C)C[C@H](CN(C)C)NC(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000054525288 519337401 /nfs/dbraw/zinc/33/74/01/519337401.db2.gz KHSVFNZNBHHYLJ-NEPJUHHUSA-N -1 3 285.388 1.125 10 0 CDAEHM CC(C)CN1CCN(c2cc(N)ccc2C(=O)[O-])CC1 ZINC000069514968 519728656 /nfs/dbraw/zinc/72/86/56/519728656.db2.gz KJHLYKJRWWBTDS-UHFFFAOYSA-N -1 3 277.368 1.745 10 0 CDAEHM 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CDAEHM CCN(Cc1ccc(C(N)=O)cc1F)[C@@H](C)CC(=O)[O-] ZINC000061183265 521305222 /nfs/dbraw/zinc/30/52/22/521305222.db2.gz LFEHWPYFPPFKLX-VIFPVBQESA-N -1 3 282.315 1.610 10 0 CDAEHM CCN(Cc1cn2c(n1)nc(C)cc2C)C[C@H](C)C(=O)[O-] ZINC000061219022 521430948 /nfs/dbraw/zinc/43/09/48/521430948.db2.gz PNRLIUDQVIRUSC-JTQLQIEISA-N -1 3 290.367 1.889 10 0 CDAEHM CCN1CCC[C@@H](NC(=O)NC2(C(=O)[O-])CCCC2)C1 ZINC000049227732 521620170 /nfs/dbraw/zinc/62/01/70/521620170.db2.gz YPIWFXMLCKGKHQ-LLVKDONJSA-N -1 3 283.372 1.167 10 0 CDAEHM CC[C@H](C)[C@@H](NC(=O)[C@@H](CN)c1ccccc1)C(=O)[O-] ZINC000061612441 521850880 /nfs/dbraw/zinc/85/08/80/521850880.db2.gz MUMCCATULPWBTL-WCFLWFBJSA-N -1 3 278.352 1.344 10 0 CDAEHM CC[C@@H](C)[C@H](N)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000050927058 522363349 /nfs/dbraw/zinc/36/33/49/522363349.db2.gz APPCXMBHDZDRPV-MDZLAQPJSA-N -1 3 270.373 1.606 10 0 CDAEHM CN[C@@](COCC1CCOCC1)(C(=O)[O-])c1ccccc1 ZINC000052170205 522428514 /nfs/dbraw/zinc/42/85/14/522428514.db2.gz 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HRLJLJVJRRUAIS-UHFFFAOYSA-N -1 3 250.270 1.418 10 0 CDAEHM C[C@@H](CN1CCCC1)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000049153866 524589214 /nfs/dbraw/zinc/58/92/14/524589214.db2.gz PISHVZYMAUJQCZ-AVGNSLFASA-N -1 3 280.368 1.254 10 0 CDAEHM C[C@@H]1C[C@@H]1[N-]S(=O)(=O)c1cc(N)c(F)cc1Cl ZINC000052272495 525330232 /nfs/dbraw/zinc/33/02/32/525330232.db2.gz VSSXAWSWLOVNBQ-ANLVUFKYSA-N -1 3 278.736 1.748 10 0 CDAEHM Cc1cc(=O)[n-]c(Sc2ccnc(C(=N)N)c2)n1 ZINC000061814697 525344657 /nfs/dbraw/zinc/34/46/57/525344657.db2.gz FNQXUGAMAUIRNW-UHFFFAOYSA-N -1 3 261.310 1.321 10 0 CDAEHM O=C([O-])c1cc2c(nc1OCCN1CCCC1)CCC2 ZINC000054553588 526358147 /nfs/dbraw/zinc/35/81/47/526358147.db2.gz HRBRNCRAMPLHAQ-UHFFFAOYSA-N -1 3 276.336 1.743 10 0 CDAEHM NC[C@@H](C(=O)N1CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000061612435 527200838 /nfs/dbraw/zinc/20/08/38/527200838.db2.gz KCHCVFNBXKJTEH-OLZOCXBDSA-N -1 3 276.336 1.195 10 0 CDAEHM Nc1n[n-]c(-c2nc(Cc3cccc(Cl)c3)no2)n1 ZINC000055169910 527541891 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/nfs/dbraw/zinc/44/54/65/538445465.db2.gz GOPOVLLBQNERIR-UHFFFAOYSA-N -1 3 271.357 1.905 10 0 CDAEHM COCc1cccc(OS(=O)(=O)c2cn[n-]c2C)c1 ZINC000732988989 575099732 /nfs/dbraw/zinc/09/97/32/575099732.db2.gz NDLYRLMWYSHFKC-UHFFFAOYSA-N -1 3 282.321 1.632 10 0 CDAEHM CC(=O)CCN(C)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000768348626 575126960 /nfs/dbraw/zinc/12/69/60/575126960.db2.gz YKSAAZFAJLHUHK-UHFFFAOYSA-N -1 3 278.308 1.402 10 0 CDAEHM C[S@@](=O)CCNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000735115371 575431430 /nfs/dbraw/zinc/43/14/30/575431430.db2.gz FUTAWMIMHXDVRI-LJQANCHMSA-N -1 3 281.377 1.379 10 0 CDAEHM O=c1[n-]c(CN[C@@H](CO)C2CC2)nc2c3ccccc3oc21 ZINC000771814636 575618151 /nfs/dbraw/zinc/61/81/51/575618151.db2.gz SMNXBGBXLDBMIA-NSHDSACASA-N -1 3 299.330 1.942 10 0 CDAEHM COc1cc(NC(=O)c2nnc3ccccc3c2[O-])nn1C ZINC000772548328 575721253 /nfs/dbraw/zinc/72/12/53/575721253.db2.gz SLXWIIPQHZEIHT-UHFFFAOYSA-N -1 3 299.290 1.330 10 0 CDAEHM Cc1nc(Cl)ccc1CC(=O)[N-]OC1CCOCC1 ZINC000772712089 575740955 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576774454 /nfs/dbraw/zinc/77/44/54/576774454.db2.gz UCISQVKKQKMVOH-GHMZBOCLSA-N -1 3 297.424 1.576 10 0 CDAEHM CC(C)(C)n1cc([C@H]2C[C@H](C(=O)[O-])CCN2)cn1 ZINC000757240300 577036941 /nfs/dbraw/zinc/03/69/41/577036941.db2.gz VUYZHTMFWMITRX-MWLCHTKSSA-N -1 3 251.330 1.763 10 0 CDAEHM C[C@H](OC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cccc(F)c1 ZINC000751564734 577050631 /nfs/dbraw/zinc/05/06/31/577050631.db2.gz JQGKRUZNRWYRFT-XVKPBYJWSA-N -1 3 280.255 1.028 10 0 CDAEHM CNc1ncc(C(=O)Nc2nc(C)ccc2[O-])s1 ZINC000753471205 577171430 /nfs/dbraw/zinc/17/14/30/577171430.db2.gz SXLSKXUZLTXBBI-UHFFFAOYSA-N -1 3 264.310 1.846 10 0 CDAEHM CC(C)[C@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)C1CC1 ZINC000851830484 617656721 /nfs/dbraw/zinc/65/67/21/617656721.db2.gz XFWRZBQZEYJYBC-JTQLQIEISA-N -1 3 291.804 1.786 10 0 CDAEHM COC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)c1ccccc1[O-] ZINC000894917888 619143165 /nfs/dbraw/zinc/14/31/65/619143165.db2.gz SBCAOQXVBFCIHF-ZYHUDNBSSA-N -1 3 293.319 1.233 10 0 CDAEHM CCOC(=O)c1nnc([C@H](C)NCc2nccs2)[n-]1 ZINC000895235015 619475343 /nfs/dbraw/zinc/47/53/43/619475343.db2.gz JVHWGDMHUHMMQV-ZETCQYMHSA-N -1 3 281.341 1.289 10 0 CDAEHM CCO[C@@H](CC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)C(C)C ZINC000898214926 621367944 /nfs/dbraw/zinc/36/79/44/621367944.db2.gz BSRJGUGUGADCNA-YPMHNXCESA-N -1 3 295.383 1.882 10 0 CDAEHM COCC(C)(C)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217240 621369381 /nfs/dbraw/zinc/36/93/81/621369381.db2.gz GOWBDOVRDCFXQR-SECBINFHSA-N -1 3 267.329 1.104 10 0 CDAEHM O=C(c1csc(Cl)n1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898221380 621381390 /nfs/dbraw/zinc/38/13/90/621381390.db2.gz MBYKLMNPYQJUCF-ZCFIWIBFSA-N -1 3 298.755 1.855 10 0 CDAEHM O=C(N1CC[C@H](c2cc(=O)[nH][n-]2)C1)[C@]12CCC[C@H]1OCC2 ZINC000898225742 621414230 /nfs/dbraw/zinc/41/42/30/621414230.db2.gz GRVQMANIYTXBOC-NVBFEUDRSA-N -1 3 291.351 1.390 10 0 CDAEHM CC1(C)CO[C@@H](CC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC000898226384 621414974 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Cc1cc(=O)[n-]c(CNC(=O)C[C@@H](O)CC(C)(C)C)n1 ZINC000911862903 629575385 /nfs/dbraw/zinc/57/53/85/629575385.db2.gz CSYFVMQGURUXCG-SNVBAGLBSA-N -1 3 281.356 1.294 10 0 CDAEHM O=Cc1ccc(CC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC000911847596 629586905 /nfs/dbraw/zinc/58/69/05/629586905.db2.gz JDVGHUHYVAJVOT-ZDUSSCGKSA-N -1 3 299.330 1.486 10 0 CDAEHM Cc1ncccc1C=CC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911854164 629591803 /nfs/dbraw/zinc/59/18/03/629591803.db2.gz IIBXDMVEBIUSRT-DSYXLKISSA-N -1 3 298.346 1.848 10 0 CDAEHM O=C(c1cc(C2CC2)on1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911853913 629591892 /nfs/dbraw/zinc/59/18/92/629591892.db2.gz YVISSOCCXHUVBQ-VIFPVBQESA-N -1 3 288.307 1.610 10 0 CDAEHM O=C(/C=C\[C@@H]1CCCO1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911854186 629592254 /nfs/dbraw/zinc/59/22/54/629592254.db2.gz IRFFFTQSZZMPAF-WZQADMAKSA-N -1 3 277.324 1.166 10 0 CDAEHM O=Cc1cc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cs1 ZINC000911854466 629592691 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COc1n[n-]c(NC(=O)C[C@H]2OC(=O)c3ccccc32)n1 ZINC000778955984 693037364 /nfs/dbraw/zinc/03/73/64/693037364.db2.gz REIQVGXKDKKYMA-SECBINFHSA-N -1 3 288.263 1.054 10 0 CDAEHM CN1CCC[C@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000049094062 693042255 /nfs/dbraw/zinc/04/22/55/693042255.db2.gz HNGCJCMZUYWCIU-VIFPVBQESA-N -1 3 268.744 1.870 10 0 CDAEHM O=C(OCc1noc(-c2ccccc2[O-])n1)C1(O)CCC1 ZINC000783092397 693050851 /nfs/dbraw/zinc/05/08/51/693050851.db2.gz FBNDNMYZXLMLRR-UHFFFAOYSA-N -1 3 290.275 1.400 10 0 CDAEHM Cc1ccc(CC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)s1 ZINC000880515629 693077445 /nfs/dbraw/zinc/07/74/45/693077445.db2.gz RSVHDOHRILSRNR-UHFFFAOYSA-N -1 3 295.389 1.700 10 0 CDAEHM O=C(COC1CCCCC1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352995659 693109106 /nfs/dbraw/zinc/10/91/06/693109106.db2.gz WONCQFZISNLMJC-CYBMUJFWSA-N -1 3 293.367 1.971 10 0 CDAEHM CCCC[C@@](C)(CO)[N-]C(=O)C(F)(F)C(F)F ZINC000844016743 693144903 /nfs/dbraw/zinc/14/49/03/693144903.db2.gz AFEXGFPQHPLBGT-VIFPVBQESA-N -1 3 259.243 1.944 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/nfs/dbraw/zinc/42/71/92/925427192.db2.gz SNHOIWGVFSLKEQ-VIFPVBQESA-N -1 3 253.302 1.013 10 0 CDAEHM C[C@H](CNC(=O)c1ccccc1[O-])NC(=O)[C@@H]1C[C@H]1C ZINC001410264102 925479266 /nfs/dbraw/zinc/47/92/66/925479266.db2.gz GYTCOMVRIUEYES-CKYFFXLPSA-N -1 3 276.336 1.283 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@]1(C)CCCC[C@@H]1C ZINC000867376599 926157803 /nfs/dbraw/zinc/15/78/03/926157803.db2.gz DUIXTGHWPBTSGZ-DINDLPBHSA-N -1 3 296.458 1.907 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CC(C)C)nn1 ZINC000867000789 928199269 /nfs/dbraw/zinc/19/92/69/928199269.db2.gz NEXDTQIMNHYEHN-JTQLQIEISA-N -1 3 257.359 1.498 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccns1 ZINC000859402051 929009817 /nfs/dbraw/zinc/00/98/17/929009817.db2.gz LUNOBODBAIPHPX-ZCFIWIBFSA-N -1 3 287.366 1.787 10 0 CDAEHM COCCO[N-]C(=O)c1c(Cl)nn(C)c1Cl ZINC000859887820 929084100 /nfs/dbraw/zinc/08/41/00/929084100.db2.gz LJCBHQKSZGFVBY-UHFFFAOYSA-N -1 3 268.100 1.035 10 0 CDAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C12CC(C1)C2 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953732194 /nfs/dbraw/zinc/73/21/94/953732194.db2.gz QFNDMWPJWNKUGX-UHFFFAOYSA-N -1 3 277.255 1.720 10 0 CDAEHM CCOCc1nc(C)cc(NCCc2c(C)[n-][nH]c2=O)n1 ZINC001363744796 953735984 /nfs/dbraw/zinc/73/59/84/953735984.db2.gz WBKSGLUKGAFVEO-LLVKDONJSA-N -1 3 291.355 1.245 10 0 CDAEHM COCC(=O)N[C@@H](C)CCCNC(=O)c1ccccc1[O-] ZINC001286526436 953761699 /nfs/dbraw/zinc/76/16/99/953761699.db2.gz RBBMKPFUWCHMHH-NSHDSACASA-N -1 3 294.351 1.053 10 0 CDAEHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1ccnnc1 ZINC001363883138 953970320 /nfs/dbraw/zinc/97/03/20/953970320.db2.gz DINXHGWCBPDREU-UMSPYCQHSA-N -1 3 299.334 1.428 10 0 CDAEHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)[C@@H]1C[C@H]1F ZINC001363903920 953997746 /nfs/dbraw/zinc/99/77/46/953997746.db2.gz WJPAADGNLUBILJ-GWOFURMSSA-N -1 3 279.315 1.683 10 0 CDAEHM CN1CCCC[C@H]1CNC(=O)c1c([O-])cc(F)cc1F ZINC001364117826 954221221 /nfs/dbraw/zinc/22/12/21/954221221.db2.gz PIASKXJCWHWJNX-JTQLQIEISA-N -1 3 284.306 1.885 10 0 CDAEHM CCn1nnc(C)c1CN1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001326500252 954408843 /nfs/dbraw/zinc/40/88/43/954408843.db2.gz DKSFCBBGOGMAER-KOLCDFICSA-N -1 3 266.345 1.149 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1n[nH]cc1F ZINC001364293471 954431190 /nfs/dbraw/zinc/43/11/90/954431190.db2.gz ZHRNINYRAHSYAF-UHFFFAOYSA-N -1 3 291.286 1.242 10 0 CDAEHM O=c1cc(CN2CC[C@]23CCOC3)c2ccc([O-])cc2o1 ZINC001327574483 954942463 /nfs/dbraw/zinc/94/24/63/954942463.db2.gz WCANHXUUBUDAJZ-MRXNPFEDSA-N -1 3 287.315 1.863 10 0 CDAEHM CC1(C)OC[C@H](CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)O1 ZINC001363295094 972062275 /nfs/dbraw/zinc/06/22/75/972062275.db2.gz CKAIGZGYFQOBFJ-JTQLQIEISA-N -1 3 291.351 1.527 10 0 CDAEHM Cc1nc[nH]c1C(=O)Nc1ccc([O-])c(F)c1F ZINC001297822141 955082917 /nfs/dbraw/zinc/08/29/17/955082917.db2.gz XXYDMYFCRLFTRO-UHFFFAOYSA-N -1 3 253.208 1.954 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2Cc3c[nH]nc3C[C@H](C)C2)n1 ZINC001363321460 972084882 /nfs/dbraw/zinc/08/48/82/972084882.db2.gz CFIRORLTVCTMQT-ONGXEEELSA-N 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KMZMAQAXJUCYOQ-SECBINFHSA-N -1 3 276.369 1.523 10 0 CDAEHM CCCn1cc(CN[C@@H](C[C@H](C)CC)C(=O)[O-])nn1 ZINC001333125727 958090483 /nfs/dbraw/zinc/09/04/83/958090483.db2.gz WVEOFTLRUDYENR-PWSUYJOCSA-N -1 3 268.361 1.667 10 0 CDAEHM COc1nnc(NC(=O)c2cccc3cccc(O)c32)[n-]1 ZINC001545819028 958486977 /nfs/dbraw/zinc/48/69/77/958486977.db2.gz XILATAHALPMLFW-UHFFFAOYSA-N -1 3 284.275 1.924 10 0 CDAEHM COc1nc(NC(=O)c2cccc3cccc(O)c32)n[n-]1 ZINC001545819028 958486979 /nfs/dbraw/zinc/48/69/79/958486979.db2.gz XILATAHALPMLFW-UHFFFAOYSA-N -1 3 284.275 1.924 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cccc3cccc(O)c32)n1 ZINC001545819028 958486983 /nfs/dbraw/zinc/48/69/83/958486983.db2.gz XILATAHALPMLFW-UHFFFAOYSA-N -1 3 284.275 1.924 10 0 CDAEHM CSCCC(=O)N[C@@H](C)CNC(=O)c1ccccc1[O-] ZINC001430441249 959332142 /nfs/dbraw/zinc/33/21/42/959332142.db2.gz MMVMFYRWTXGFLZ-JTQLQIEISA-N -1 3 296.392 1.380 10 0 CDAEHM CC[C@@H](C)C[C@H](NCc1cn(C(C)C)nn1)C(=O)[O-] ZINC001334777344 959353651 /nfs/dbraw/zinc/35/36/51/959353651.db2.gz QKTGOFYECBWRMB-PWSUYJOCSA-N -1 3 268.361 1.838 10 0 CDAEHM CCCn1nccc1CN[C@H]1C=CC[C@H](C(=O)[O-])C1 ZINC001334840476 959398887 /nfs/dbraw/zinc/39/88/87/959398887.db2.gz AZMQQXBOBVIKGS-RYUDHWBXSA-N -1 3 263.341 1.802 10 0 CDAEHM Cc1conc1[N-]C(=O)c1coc(S(C)(=O)=O)c1 ZINC001433473553 960349580 /nfs/dbraw/zinc/34/95/80/960349580.db2.gz PZCYWEUKGJHIJS-UHFFFAOYSA-N -1 3 270.266 1.232 10 0 CDAEHM COc1cccc(C(F)(F)C(=O)[N-]Cc2nnc(N)o2)c1 ZINC001433933304 960778834 /nfs/dbraw/zinc/77/88/34/960778834.db2.gz DDFGECVFJXFSAR-UHFFFAOYSA-N -1 3 298.249 1.069 10 0 CDAEHM CCCN1CCC[C@H]1C(=O)N[C@@H](C)c1nn(C)cc1[O-] ZINC001434407802 961320365 /nfs/dbraw/zinc/32/03/65/961320365.db2.gz RFBBQXVJHUZZHV-QWRGUYRKSA-N -1 3 280.372 1.177 10 0 CDAEHM C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)c1nn(C)cc1[O-] ZINC001420440178 962911845 /nfs/dbraw/zinc/91/18/45/962911845.db2.gz NWPDJYJRPFQECO-NEPJUHHUSA-N -1 3 294.399 1.567 10 0 CDAEHM CC(=O)c1cccc(NC(=O)c2cc(C)ncn2)c1[O-] ZINC001556853546 965111737 /nfs/dbraw/zinc/11/17/37/965111737.db2.gz LOJOUNSROPJHQZ-UHFFFAOYSA-N -1 3 271.276 1.946 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001443447449 965468975 /nfs/dbraw/zinc/46/89/75/965468975.db2.gz PMFYSYFQHJIDCV-JBLDHEPKSA-N -1 3 281.400 1.933 10 0 CDAEHM O=C([O-])[C@@H]1CC=C[C@@H](NCc2cn3ccccc3n2)C1 ZINC001350653302 966726806 /nfs/dbraw/zinc/72/68/06/966726806.db2.gz MYUHWXVEHVDNGO-VXGBXAGGSA-N -1 3 271.320 1.843 10 0 CDAEHM O=C(NC1(c2nc[nH]n2)CCC1)c1cccc([O-])c1F ZINC001447952616 966939983 /nfs/dbraw/zinc/93/99/83/966939983.db2.gz LCXOTNHQWPVISO-UHFFFAOYSA-N -1 3 276.271 1.459 10 0 CDAEHM C[C@@H]1CC(=O)CC[C@@H]1C(=O)[N-]O[C@H]1CCCCO1 ZINC001542444059 967229361 /nfs/dbraw/zinc/22/93/61/967229361.db2.gz MPMDLNRLMICOHH-USWWRNFRSA-N -1 3 255.314 1.566 10 0 CDAEHM Cn1ncc(C(=O)[N-]c2c(F)ccnc2F)c1Cl ZINC001544857743 967390334 /nfs/dbraw/zinc/39/03/34/967390334.db2.gz DLMZWWZDUGTKNE-UHFFFAOYSA-N -1 3 272.642 1.999 10 0 CDAEHM Cc1nc2cc(NC(=O)c3cnncc3[O-])ccc2[nH]1 ZINC001545563633 967429430 /nfs/dbraw/zinc/42/94/30/967429430.db2.gz YJMPTPIREXENAW-UHFFFAOYSA-N -1 3 269.264 1.619 10 0 CDAEHM CC[C@@H]1CN(CC)CCN1C(=O)c1ccc([O-])cn1 ZINC001449465221 967463375 /nfs/dbraw/zinc/46/33/75/967463375.db2.gz FAVPMLKOQWLTDD-LLVKDONJSA-N -1 3 263.341 1.344 10 0 CDAEHM C[S@](=O)(=NC(=O)c1nc[n-]n1)C1CCCCC1 ZINC001354237370 968560725 /nfs/dbraw/zinc/56/07/25/968560725.db2.gz RKQBPZFTPCXQCE-QGZVFWFLSA-N -1 3 256.331 1.375 10 0 CDAEHM C[S@@](=O)(=NC(=O)c1nc[n-]n1)C1CCCCC1 ZINC001354237145 968561729 /nfs/dbraw/zinc/56/17/29/968561729.db2.gz RKQBPZFTPCXQCE-KRWDZBQOSA-N -1 3 256.331 1.375 10 0 CDAEHM COCCC[C@@H](C)C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001528798639 968934082 /nfs/dbraw/zinc/93/40/82/968934082.db2.gz LUKOBKDVQRHHJD-LLVKDONJSA-N -1 3 295.387 1.044 10 0 CDAEHM COCCC[C@@H](C)C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001528798639 968934088 /nfs/dbraw/zinc/93/40/88/968934088.db2.gz LUKOBKDVQRHHJD-LLVKDONJSA-N -1 3 295.387 1.044 10 0 CDAEHM C[C@@H](NC(=O)Cc1cccnc1)c1nc(C(F)(F)F)n[n-]1 ZINC001456378994 968953313 /nfs/dbraw/zinc/95/33/13/968953313.db2.gz CXWGLPAYEBBTNI-SSDOTTSWSA-N -1 3 299.256 1.638 10 0 CDAEHM COC(=O)/C=C/c1ccc(C(=O)[N-]c2nnc(C)s2)o1 ZINC001530834453 969191961 /nfs/dbraw/zinc/19/19/61/969191961.db2.gz ODXZVIMGFARETG-GQCTYLIASA-N -1 3 293.304 1.878 10 0 CDAEHM CC[C@H](F)C(=O)NC/C=C\CNC(=O)c1ccccc1[O-] ZINC001533379938 969424281 /nfs/dbraw/zinc/42/42/81/969424281.db2.gz BCGUDNUDBKJLPU-FJOGCWAESA-N -1 3 294.326 1.543 10 0 CDAEHM COc1cccc(C(=O)NCCc2c(C)[n-][nH]c2=O)c1C ZINC001464884070 969828952 /nfs/dbraw/zinc/82/89/52/969828952.db2.gz CXXSTXIEMXDAST-GFCCVEGCSA-N -1 3 289.335 1.245 10 0 CDAEHM CCn1cc(Cl)c(C(=O)[N-]c2nnc(C)s2)n1 ZINC001361321846 970108750 /nfs/dbraw/zinc/10/87/50/970108750.db2.gz XQZRPRAEGGFHLJ-UHFFFAOYSA-N -1 3 271.733 1.969 10 0 CDAEHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cn2c(n1)COCC2 ZINC001468311148 970149701 /nfs/dbraw/zinc/14/97/01/970149701.db2.gz PHJVETNNGYAQQP-UHFFFAOYSA-N -1 3 299.290 1.248 10 0 CDAEHM O=C(Cc1ccc2c[nH]nc2c1)[N-]OCc1ccccn1 ZINC001468833019 970196504 /nfs/dbraw/zinc/19/65/04/970196504.db2.gz DHEUPXLWFKFWDH-UHFFFAOYSA-N -1 3 282.303 1.748 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)c2cccc(Cl)c2N)n1 ZINC001469725193 970269084 /nfs/dbraw/zinc/26/90/84/970269084.db2.gz HEQYILNZWUMITR-UHFFFAOYSA-N -1 3 292.726 1.656 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)C=Cc1cccnc1C ZINC001521260082 970276857 /nfs/dbraw/zinc/27/68/57/970276857.db2.gz HVAVOCHXNPAYMK-AATRIKPKSA-N -1 3 286.291 1.552 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)C=Cc1cccnc1C ZINC001521260082 970276859 /nfs/dbraw/zinc/27/68/59/970276859.db2.gz HVAVOCHXNPAYMK-AATRIKPKSA-N -1 3 286.291 1.552 10 0 CDAEHM CC/C(C)=C\C(=O)NCCCNC(=O)c1ccccc1[O-] ZINC001522847536 970589311 /nfs/dbraw/zinc/58/93/11/970589311.db2.gz XMWXAYBIFWZEJN-QXMHVHEDSA-N -1 3 290.363 1.985 10 0 CDAEHM CN1CC[C@@H]2CN(C(=O)c3cccc(Cl)c3[O-])C[C@@H]21 ZINC001417453853 973119899 /nfs/dbraw/zinc/11/98/99/973119899.db2.gz UVLFWNINIWVEGB-SKDRFNHKSA-N -1 3 280.755 1.822 10 0 CDAEHM C[C@@H]1[C@@H](C)N(C(=O)c2ccc(F)c([O-])c2)CCN1C ZINC001546269399 974253933 /nfs/dbraw/zinc/25/39/33/974253933.db2.gz UCOMVACBQZQNRN-NXEZZACHSA-N -1 3 266.316 1.696 10 0 CDAEHM C[C@@H](CCNC(=O)[C@@H](C)C(C)(C)C)NCc1n[nH]c(=O)[n-]1 ZINC001390674899 976431847 /nfs/dbraw/zinc/43/18/47/976431847.db2.gz YWZUDKKUGVOKFY-VHSXEESVSA-N -1 3 297.403 1.177 10 0 CDAEHM CC(C)OCCN1CC(N(C)C(=O)c2ccccc2[O-])C1 ZINC001407063017 976534734 /nfs/dbraw/zinc/53/47/34/976534734.db2.gz UWJROMZIHUIPQO-UHFFFAOYSA-N -1 3 292.379 1.573 10 0 CDAEHM CC[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cn[n-]n1 ZINC001396458888 978504007 /nfs/dbraw/zinc/50/40/07/978504007.db2.gz XLWPSOMPHMCYRP-HBNTYKKESA-N -1 3 293.371 1.008 10 0 CDAEHM COc1cc(C(=O)[N-]c2nn(C)cc2Cl)on1 ZINC001133051518 1163545377 /nfs/dbraw/zinc/54/53/77/1163545377.db2.gz WCFKFTNLFWQAGS-UHFFFAOYSA-N -1 3 256.649 1.322 10 0 CDAEHM Cc1c(Cl)cccc1NC(=O)[C@H](N)CC(=O)[O-] ZINC000082566840 178096369 /nfs/dbraw/zinc/09/63/69/178096369.db2.gz POMYHEVUDRMVRB-MRVPVSSYSA-N -1 3 256.689 1.389 10 0 CDAEHM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-]CC(C)(C)F ZINC000601476636 342565947 /nfs/dbraw/zinc/56/59/47/342565947.db2.gz UDPLHPGNXKPBNM-ZJUUUORDSA-N -1 3 295.376 1.386 10 0 CDAEHM COc1cccc(C(=O)N2C[C@@H]3COC[C@]3(C)C2)c1[O-] ZINC000618725623 349518322 /nfs/dbraw/zinc/51/83/22/349518322.db2.gz XBTGNWYCVHMETI-BMIGLBTASA-N -1 3 277.320 1.509 10 0 CDAEHM CC[C@H](C(=O)[O-])N(C)Cc1cnnn1Cc1ccccc1 ZINC000650805859 398225072 /nfs/dbraw/zinc/22/50/72/398225072.db2.gz LBHCMFJOBJVPAI-CQSZACIVSA-N -1 3 288.351 1.621 10 0 CDAEHM C[C@H]1COC2(CCC2)CN1C(=O)Cc1cncc([O-])c1 ZINC000617942677 342571532 /nfs/dbraw/zinc/57/15/32/342571532.db2.gz RGXDBPZEBPJQJH-NSHDSACASA-N -1 3 276.336 1.500 10 0 CDAEHM CCCn1c(=O)[n-]nc1SCCOCC(=O)OCC ZINC000351560076 361756663 /nfs/dbraw/zinc/75/66/63/361756663.db2.gz VVRVFBUOEBQBLL-UHFFFAOYSA-N -1 3 289.357 1.066 10 0 CDAEHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625149558 342036004 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/nfs/dbraw/zinc/11/84/17/342118417.db2.gz MZVSXKDTAMLJFY-UHFFFAOYSA-N -1 3 294.336 1.044 10 0 CDAEHM Cc1ccc([O-])c(C(=O)Nc2ccc(=O)n(CCO)c2)c1 ZINC000622737909 342139621 /nfs/dbraw/zinc/13/96/21/342139621.db2.gz UHDNJJAZWIWTDJ-UHFFFAOYSA-N -1 3 288.303 1.107 10 0 CDAEHM COCCS(=O)(=O)[N-]c1ccccc1[C@H]1CCC(=O)N1 ZINC000629330438 361840937 /nfs/dbraw/zinc/84/09/37/361840937.db2.gz VJSHFUYGBYRAOK-LLVKDONJSA-N -1 3 298.364 1.026 10 0 CDAEHM CCO[C@H](CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC000625432583 342160204 /nfs/dbraw/zinc/16/02/04/342160204.db2.gz PXMJNWBITFNHHH-VXGBXAGGSA-N -1 3 280.372 1.505 10 0 CDAEHM COC(=O)c1cc(C(=O)[N-]c2n[nH]cc2C2CC2)on1 ZINC000592828246 342731630 /nfs/dbraw/zinc/73/16/30/342731630.db2.gz NIXOIYIXFPAAFM-UHFFFAOYSA-N -1 3 276.252 1.314 10 0 CDAEHM Cn1nc([N-]S(=O)(=O)N2CCCCCC2)cc1C1CC1 ZINC000329705413 361879458 /nfs/dbraw/zinc/87/94/58/361879458.db2.gz JKHIJPHBRPBFNP-UHFFFAOYSA-N -1 3 298.412 1.830 10 0 CDAEHM COc1cccc(C[C@@H](C)NC(=O)c2cc(=O)[n-]cn2)c1 ZINC000625530250 342181059 /nfs/dbraw/zinc/18/10/59/342181059.db2.gz BJXWWOHTOUIATA-SNVBAGLBSA-N -1 3 287.319 1.552 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N[C@@H]2C[C@H](O)C23CCC3)c1 ZINC000619089406 349623968 /nfs/dbraw/zinc/62/39/68/349623968.db2.gz MVACUIAMAKEHAT-OLZOCXBDSA-N -1 3 261.321 1.734 10 0 CDAEHM O=C(c1cc(=O)[n-]cn1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000625844126 342204289 /nfs/dbraw/zinc/20/42/89/342204289.db2.gz URVWARNWFBFGET-GFCCVEGCSA-N -1 3 291.351 1.746 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2ncn(C(C)C)n2)c[n-]1 ZINC000593780846 342831826 /nfs/dbraw/zinc/83/18/26/342831826.db2.gz DHKGUDICKMCNTM-UHFFFAOYSA-N -1 3 277.284 1.226 10 0 CDAEHM COc1nnc(NC(=O)c2cccc3cnccc32)[n-]1 ZINC000352638227 539063747 /nfs/dbraw/zinc/06/37/47/539063747.db2.gz SIBCAJNFFQRGTC-UHFFFAOYSA-N -1 3 269.264 1.614 10 0 CDAEHM COc1nc(NC(=O)c2cccc3cnccc32)n[n-]1 ZINC000352638227 539063748 /nfs/dbraw/zinc/06/37/48/539063748.db2.gz SIBCAJNFFQRGTC-UHFFFAOYSA-N -1 3 269.264 1.614 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cccc3cnccc32)n1 ZINC000352638227 539063749 /nfs/dbraw/zinc/06/37/49/539063749.db2.gz SIBCAJNFFQRGTC-UHFFFAOYSA-N -1 3 269.264 1.614 10 0 CDAEHM CSc1ccc([O-])c(C(=O)NC[C@@H]2CCC(=O)N2)c1 ZINC000619144248 349640125 /nfs/dbraw/zinc/64/01/25/349640125.db2.gz QBOSITKBYUQUJG-QMMMGPOBSA-N -1 3 280.349 1.123 10 0 CDAEHM NC(=O)C1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000280109402 539127340 /nfs/dbraw/zinc/12/73/40/539127340.db2.gz XTYCBZRCXOSTIP-UHFFFAOYSA-N -1 3 298.342 1.883 10 0 CDAEHM C[C@H]1C(=O)NCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000280745239 539128097 /nfs/dbraw/zinc/12/80/97/539128097.db2.gz BTFBBLCOCXOKMH-JTQLQIEISA-N -1 3 284.315 1.506 10 0 CDAEHM CC(C)c1cccc(N(C)C(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000140573714 362050090 /nfs/dbraw/zinc/05/00/90/362050090.db2.gz YHQJHQPNBUPWBR-LBPRGKRZSA-N -1 3 289.335 1.371 10 0 CDAEHM C[C@H]1CCC[C@H](c2noc(C[C@@H]3NC(=O)[N-]C3=O)n2)C1 ZINC000273899060 192353678 /nfs/dbraw/zinc/35/36/78/192353678.db2.gz IYDFJIONEHFLOA-CIUDSAMLSA-N -1 3 278.312 1.114 10 0 CDAEHM COc1cccc(C(=O)NCCO[C@@H]2CC2(F)F)c1[O-] ZINC000618124454 342374278 /nfs/dbraw/zinc/37/42/78/342374278.db2.gz DTAMIGGLMNRCJL-SNVBAGLBSA-N -1 3 287.262 1.555 10 0 CDAEHM COC(=O)c1cc(C(=O)[N-]c2cc(C)on2)c(C)o1 ZINC000596675556 343368276 /nfs/dbraw/zinc/36/82/76/343368276.db2.gz WKIXRKJZIQOWSP-UHFFFAOYSA-N -1 3 264.237 1.345 10 0 CDAEHM O=C(CN1CCCSCC1)[N-]OCc1ccccc1 ZINC000093226556 342424580 /nfs/dbraw/zinc/42/45/80/342424580.db2.gz HJEZZMYPMTYNSD-UHFFFAOYSA-N -1 3 280.393 1.673 10 0 CDAEHM O=C1[N-]C(=O)[C@@]2(CCCc3ccc(Br)cc32)N1 ZINC000113854270 342439978 /nfs/dbraw/zinc/43/99/78/342439978.db2.gz JGGVFLJWMIQZBL-LBPRGKRZSA-N -1 3 295.136 1.820 10 0 CDAEHM O=S(=O)(NCc1ncccc1[O-])c1cncc(Cl)c1 ZINC000360026105 362211069 /nfs/dbraw/zinc/21/10/69/362211069.db2.gz XAYNBOGQHGIEAK-UHFFFAOYSA-N -1 3 299.739 1.314 10 0 CDAEHM C[C@@H]1COCC[C@@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000569665367 362244373 /nfs/dbraw/zinc/24/43/73/362244373.db2.gz AZQINHJZPVATRY-SCZZXKLOSA-N -1 3 260.297 1.113 10 0 CDAEHM C[C@@H]1COCC[C@@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000569665367 362244375 /nfs/dbraw/zinc/24/43/75/362244375.db2.gz AZQINHJZPVATRY-SCZZXKLOSA-N -1 3 260.297 1.113 10 0 CDAEHM C[C@@H]1COCC[C@@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000569665367 362244376 /nfs/dbraw/zinc/24/43/76/362244376.db2.gz AZQINHJZPVATRY-SCZZXKLOSA-N -1 3 260.297 1.113 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N[C@](C)(CCF)C(=O)OC)c1 ZINC000598287490 343754261 /nfs/dbraw/zinc/75/42/61/343754261.db2.gz UQLDJUGTJPGQHC-OAHLLOKOSA-N -1 3 297.326 1.976 10 0 CDAEHM CCO[C@@H](C(=O)NCc1ncccc1[O-])C(C)C ZINC000626737832 346966305 /nfs/dbraw/zinc/96/63/05/346966305.db2.gz CGYXCXVPMRTGJC-GFCCVEGCSA-N -1 3 252.314 1.465 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)C[C@H](C)n1ccc(C)n1 ZINC000598845225 343910406 /nfs/dbraw/zinc/91/04/06/343910406.db2.gz HALUONAEXIZSLX-VIFPVBQESA-N -1 3 291.311 1.291 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)C[C@H](C)n1ccc(C)n1 ZINC000598845225 343910407 /nfs/dbraw/zinc/91/04/07/343910407.db2.gz HALUONAEXIZSLX-VIFPVBQESA-N -1 3 291.311 1.291 10 0 CDAEHM C/C=C/C[N-]S(=O)(=O)c1cc(C(=O)OC)oc1CC ZINC000599474688 344062162 /nfs/dbraw/zinc/06/21/62/344062162.db2.gz BCJQCZAMPBYWAQ-GQCTYLIASA-N -1 3 287.337 1.483 10 0 CDAEHM O=C(N[C@@H]1CCNC(=O)CC1)c1cc([O-])ccc1Cl ZINC000396734969 344581064 /nfs/dbraw/zinc/58/10/64/344581064.db2.gz HZLGYFNLSZMFAG-QMMMGPOBSA-N -1 3 282.727 1.444 10 0 CDAEHM CN(CCN1CCOC(C)(C)C1)C(=O)c1cccc([O-])c1 ZINC000447661911 362477577 /nfs/dbraw/zinc/47/75/77/362477577.db2.gz YCQKYJXBIRVFJG-UHFFFAOYSA-N -1 3 292.379 1.575 10 0 CDAEHM O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1c[n-]nn1 ZINC000447714021 362491241 /nfs/dbraw/zinc/49/12/41/362491241.db2.gz KHUGPNYSSOHDBZ-SECBINFHSA-N -1 3 288.204 1.819 10 0 CDAEHM O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1cnn[n-]1 ZINC000447714021 362491244 /nfs/dbraw/zinc/49/12/44/362491244.db2.gz KHUGPNYSSOHDBZ-SECBINFHSA-N -1 3 288.204 1.819 10 0 CDAEHM O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1cn[n-]n1 ZINC000447714021 362491247 /nfs/dbraw/zinc/49/12/47/362491247.db2.gz KHUGPNYSSOHDBZ-SECBINFHSA-N -1 3 288.204 1.819 10 0 CDAEHM CC(C)[C@@H](CN(C)C)NC(=O)NC(C)(C)CC(=O)[O-] ZINC000084157708 178807742 /nfs/dbraw/zinc/80/77/42/178807742.db2.gz RXPHVTISQADPCE-SNVBAGLBSA-N -1 3 273.377 1.125 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CC[C@@H](Cn2ccnn2)C1 ZINC000617268743 345112237 /nfs/dbraw/zinc/11/22/37/345112237.db2.gz NNQBNLQAMUGODJ-LLVKDONJSA-N -1 3 272.308 1.146 10 0 CDAEHM C[C@H]1CCC[C@@H](CNC(=O)c2cccc3nn[n-]c32)O1 ZINC000618583989 345178748 /nfs/dbraw/zinc/17/87/48/345178748.db2.gz ZTVOHPHWGOKBRG-UWVGGRQHSA-N -1 3 274.324 1.645 10 0 CDAEHM C[C@H]1CCC[C@@H](CNC(=O)c2cccc3[n-]nnc32)O1 ZINC000618583989 345178750 /nfs/dbraw/zinc/17/87/50/345178750.db2.gz ZTVOHPHWGOKBRG-UWVGGRQHSA-N -1 3 274.324 1.645 10 0 CDAEHM C[C@H]1CCC[C@@H](CNC(=O)c2cccc3n[n-]nc32)O1 ZINC000618583989 345178752 /nfs/dbraw/zinc/17/87/52/345178752.db2.gz ZTVOHPHWGOKBRG-UWVGGRQHSA-N -1 3 274.324 1.645 10 0 CDAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)C12CC(C1)C2 ZINC000626333836 345260317 /nfs/dbraw/zinc/26/03/17/345260317.db2.gz KRCOJJCZHPLCMV-YWFMTQBDSA-N -1 3 299.330 1.176 10 0 CDAEHM Cn1ccnc1C[C@@H](NC(=O)c1c[n-]nn1)c1ccccc1 ZINC000608204811 345637007 /nfs/dbraw/zinc/63/70/07/345637007.db2.gz BPZLKCBSYVZMLU-GFCCVEGCSA-N -1 3 296.334 1.252 10 0 CDAEHM Cn1ccnc1C[C@@H](NC(=O)c1cnn[n-]1)c1ccccc1 ZINC000608204811 345637010 /nfs/dbraw/zinc/63/70/10/345637010.db2.gz BPZLKCBSYVZMLU-GFCCVEGCSA-N -1 3 296.334 1.252 10 0 CDAEHM Cn1ccnc1C[C@@H](NC(=O)c1cn[n-]n1)c1ccccc1 ZINC000608204811 345637014 /nfs/dbraw/zinc/63/70/14/345637014.db2.gz BPZLKCBSYVZMLU-GFCCVEGCSA-N -1 3 296.334 1.252 10 0 CDAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@@H](C)O1 ZINC000384957265 346093988 /nfs/dbraw/zinc/09/39/88/346093988.db2.gz RXQRELKRQHXVQY-NQMVMOMDSA-N -1 3 286.378 1.464 10 0 CDAEHM COc1cc(=NC(=O)N2CC[C@H]3CC[C@@H](C2)S3)[n-]n1C ZINC000626510006 346184670 /nfs/dbraw/zinc/18/46/70/346184670.db2.gz 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/nfs/dbraw/zinc/72/61/28/362726128.db2.gz KPLBESDAFVOZOT-NSHDSACASA-N -1 3 276.365 1.877 10 0 CDAEHM COC(=O)c1ccc(C(=O)Nc2ncccc2[O-])cc1F ZINC000610872741 346476773 /nfs/dbraw/zinc/47/67/73/346476773.db2.gz BJPADJQNPLBYTI-UHFFFAOYSA-N -1 3 290.250 1.965 10 0 CDAEHM CC(C)=CCc1cc([C@H](O)[C@H](N)C(=O)[O-])ccc1O ZINC000003651215 346631370 /nfs/dbraw/zinc/63/13/70/346631370.db2.gz KTMOYLSEGZRFNV-STQMWFEESA-N -1 3 265.309 1.346 10 0 CDAEHM COc1cc(=NC(=O)N[C@@H]2CCC2(C)C)[n-]n1C ZINC000554326501 290153279 /nfs/dbraw/zinc/15/32/79/290153279.db2.gz VBTKOLGTPWKMII-MRVPVSSYSA-N -1 3 252.318 1.161 10 0 CDAEHM CC(C)N(C)c1ccc(NC(=O)[C@H](N)CC(=O)[O-])cc1F ZINC000085812777 179178420 /nfs/dbraw/zinc/17/84/20/179178420.db2.gz IIWQNJOVNWBKPS-LLVKDONJSA-N -1 3 297.330 1.411 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000085813122 179178481 /nfs/dbraw/zinc/17/84/81/179178481.db2.gz FGXHGBSZAVWHDG-ZJUUUORDSA-N -1 3 298.339 1.281 10 0 CDAEHM CC(C)[C@H](NC(=O)[C@H](N)CC(=O)[O-])c1ccc(Cl)cc1 ZINC000085813255 179178510 /nfs/dbraw/zinc/17/85/10/179178510.db2.gz GKHIRDNOVUZVQJ-YPMHNXCESA-N -1 3 298.770 1.955 10 0 CDAEHM C[C@@H](NC(=O)[C@H](N)CC(=O)[O-])c1cc2ccccc2o1 ZINC000085814038 179178527 /nfs/dbraw/zinc/17/85/27/179178527.db2.gz QEFCXZGJZBUEKH-PSASIEDQSA-N -1 3 276.292 1.412 10 0 CDAEHM C[C@@H](NC(=O)[C@H](N)CCC(=O)[O-])c1ccc(F)c(F)c1 ZINC000085819280 179181721 /nfs/dbraw/zinc/18/17/21/179181721.db2.gz OPLYRUVLAOXIMM-RDDDGLTNSA-N -1 3 286.278 1.334 10 0 CDAEHM Cc1nc2cc(NC(=O)[C@@H](N)CCC(=O)[O-])ccc2[nH]1 ZINC000085819718 179183263 /nfs/dbraw/zinc/18/32/63/179183263.db2.gz GRXGMUAKUSRRIB-VIFPVBQESA-N -1 3 276.296 1.002 10 0 CDAEHM Cc1nc2ccc(NC(=O)[C@@H](N)CCC(=O)[O-])cc2[nH]1 ZINC000085819718 179183264 /nfs/dbraw/zinc/18/32/64/179183264.db2.gz GRXGMUAKUSRRIB-VIFPVBQESA-N -1 3 276.296 1.002 10 0 CDAEHM COc1ccccc1[C@@H](C)N(C)C(=O)[C@@H](N)CCC(=O)[O-] ZINC000085839032 179185026 /nfs/dbraw/zinc/18/50/26/179185026.db2.gz 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179180110 /nfs/dbraw/zinc/18/01/10/179180110.db2.gz RUUHSGFFZNMBDY-JSGCOSHPSA-N -1 3 292.335 1.065 10 0 CDAEHM CC[C@@H](NC(=O)[C@@H](N)CC(=O)[O-])C1CCCCC1 ZINC000085817894 179181039 /nfs/dbraw/zinc/18/10/39/179181039.db2.gz WQWZGBFKHCLMOJ-WDEREUQCSA-N -1 3 256.346 1.264 10 0 CDAEHM COc1nc(NC(=O)[C@@]2(O)CCCC(C)(C)C2)n[n-]1 ZINC000613196311 347462397 /nfs/dbraw/zinc/46/23/97/347462397.db2.gz PQNRMMZDPSBIPW-GFCCVEGCSA-N -1 3 268.317 1.083 10 0 CDAEHM COc1nnc(NC(=O)[C@@]2(O)CCCC(C)(C)C2)[n-]1 ZINC000613196311 347462398 /nfs/dbraw/zinc/46/23/98/347462398.db2.gz PQNRMMZDPSBIPW-GFCCVEGCSA-N -1 3 268.317 1.083 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@]2(O)CCCC(C)(C)C2)n1 ZINC000613196311 347462401 /nfs/dbraw/zinc/46/24/01/347462401.db2.gz PQNRMMZDPSBIPW-GFCCVEGCSA-N -1 3 268.317 1.083 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CC[C@H](OC(F)F)C2)c1 ZINC000564346013 293347413 /nfs/dbraw/zinc/34/74/13/293347413.db2.gz CXXZWPKXEKXINT-VIFPVBQESA-N -1 3 287.262 1.855 10 0 CDAEHM COc1cc(=NC(=O)[C@H]2CCc3cc(F)ccc32)[n-]n1C ZINC000613617663 347802665 /nfs/dbraw/zinc/80/26/65/347802665.db2.gz YYGYUWHHOSOQTI-LBPRGKRZSA-N -1 3 289.310 1.658 10 0 CDAEHM COc1ccc(NC(=O)c2nnn(C(C)(C)C)n2)c([O-])c1 ZINC000613832669 347918239 /nfs/dbraw/zinc/91/82/39/347918239.db2.gz GTLBNADADGDPMT-UHFFFAOYSA-N -1 3 291.311 1.395 10 0 CDAEHM CO[C@H](C(=O)NCc1ncccc1[O-])C1CCCCC1 ZINC000614254676 348059199 /nfs/dbraw/zinc/05/91/99/348059199.db2.gz JLDUBIFLFUDQCJ-AWEZNQCLSA-N -1 3 278.352 1.999 10 0 CDAEHM Cc1ccc(C(=O)N[C@H]2C[C@@H](O)C23CCC3)c([O-])c1 ZINC000619078654 348192347 /nfs/dbraw/zinc/19/23/47/348192347.db2.gz TXCAJYUNBOOVOV-QWHCGFSZSA-N -1 3 261.321 1.734 10 0 CDAEHM CC(C)C[C@H](CO)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000450726983 362873785 /nfs/dbraw/zinc/87/37/85/362873785.db2.gz WWGLXQRIGAFYFC-GFCCVEGCSA-N -1 3 283.343 1.939 10 0 CDAEHM CN1C[C@H](NC(=O)c2ccc3c(c2[O-])CCCC3)CC1=O ZINC000273332012 192116307 /nfs/dbraw/zinc/11/63/07/192116307.db2.gz SRGSOEIABODQDM-LLVKDONJSA-N -1 3 288.347 1.232 10 0 CDAEHM C[C@H](CC(C)(C)C)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000614993537 348296791 /nfs/dbraw/zinc/29/67/91/348296791.db2.gz IJRRHNYBCAKCDL-SSDOTTSWSA-N -1 3 250.306 1.463 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CC[C@H]1C(F)(F)F ZINC000615028461 348310121 /nfs/dbraw/zinc/31/01/21/348310121.db2.gz BRMFGFRZOOPIJO-VIFPVBQESA-N -1 3 261.199 1.875 10 0 CDAEHM CC(=O)NCc1ccc(C(=O)Nc2ncccc2[O-])s1 ZINC000067571088 349028685 /nfs/dbraw/zinc/02/86/85/349028685.db2.gz SXXLABLMKRNMBN-UHFFFAOYSA-N -1 3 291.332 1.737 10 0 CDAEHM CC(C)(O)CC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022921 349250764 /nfs/dbraw/zinc/25/07/64/349250764.db2.gz LEAKXYVUBSZGIZ-UHFFFAOYSA-N -1 3 274.320 1.718 10 0 CDAEHM CCCCCS(=O)(=O)[N-][C@@H](CC)C(=O)OC ZINC000184655813 535110992 /nfs/dbraw/zinc/11/09/92/535110992.db2.gz FEZNEGTWIFJGSG-VIFPVBQESA-N -1 3 251.348 1.048 10 0 CDAEHM O=S(=O)([N-]CC[C@H]1CC1(F)F)c1ccoc1 ZINC000621305379 350533183 /nfs/dbraw/zinc/53/31/83/350533183.db2.gz XDEIEBCABIKNNQ-ZETCQYMHSA-N -1 3 251.254 1.603 10 0 CDAEHM Cc1cc([N-]C(=O)[C@H](C)N2CCC(=O)[C@H](C)C2)on1 ZINC000275223961 365968495 /nfs/dbraw/zinc/96/84/95/365968495.db2.gz KHAPRLXSMSQTAN-SCZZXKLOSA-N -1 3 265.313 1.221 10 0 CDAEHM COc1cccc(C(=O)N(C)CCn2cccn2)c1[O-] ZINC000110436138 186296555 /nfs/dbraw/zinc/29/65/55/186296555.db2.gz ARVXZQWGAJFISP-UHFFFAOYSA-N -1 3 275.308 1.370 10 0 CDAEHM CNC(=O)CCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621667874 350703478 /nfs/dbraw/zinc/70/34/78/350703478.db2.gz ODRIOAQZBZQPKR-UHFFFAOYSA-N -1 3 290.241 1.277 10 0 CDAEHM CC[C@H](NC(=O)c1cc(F)c[n-]c1=O)C(F)(F)F ZINC000621969108 350900879 /nfs/dbraw/zinc/90/08/79/350900879.db2.gz HUHVGCQZVYVSTJ-ZETCQYMHSA-N -1 3 266.194 1.997 10 0 CDAEHM COC[C@H](O)CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622031045 350941866 /nfs/dbraw/zinc/94/18/66/350941866.db2.gz FYWHECZZDKQVAA-SNVBAGLBSA-N -1 3 293.241 1.148 10 0 CDAEHM O=C(c1cc(F)c[n-]c1=O)N1CC[C@H]1C(F)(F)F ZINC000622058895 350957897 /nfs/dbraw/zinc/95/78/97/350957897.db2.gz YNZAGYKVLUIPQY-ZETCQYMHSA-N -1 3 264.178 1.703 10 0 CDAEHM Cc1nnc([N-]C(=O)c2cn(CC3CC3)nn2)s1 ZINC000622322466 351126048 /nfs/dbraw/zinc/12/60/48/351126048.db2.gz QTCFVKCVIIEXQM-UHFFFAOYSA-N -1 3 264.314 1.100 10 0 CDAEHM COC(=O)CC1(CC(=O)Nc2ccncc2[O-])CCCC1 ZINC000345777042 290949983 /nfs/dbraw/zinc/94/99/83/290949983.db2.gz SSZJRFGDVQWGHK-UHFFFAOYSA-N -1 3 292.335 1.661 10 0 CDAEHM CCc1cc(=O)[n-]c(CN[C@H]2COCC2(C)C)n1 ZINC000451810802 363131263 /nfs/dbraw/zinc/13/12/63/363131263.db2.gz MGKYGKJWEIFVCN-JTQLQIEISA-N -1 3 251.330 1.259 10 0 CDAEHM Cc1csc(C[N-]S(=O)(=O)[C@@H]2CCO[C@@H]2C)n1 ZINC000135504996 187835473 /nfs/dbraw/zinc/83/54/73/187835473.db2.gz VOPOPZICLDZWGJ-RKDXNWHRSA-N -1 3 276.383 1.048 10 0 CDAEHM CC[C@H](SC)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000153564533 188089071 /nfs/dbraw/zinc/08/90/71/188089071.db2.gz PLLAGKQMZJPLDR-VIFPVBQESA-N -1 3 279.369 1.890 10 0 CDAEHM CC[C@H](SC)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000153564533 188089073 /nfs/dbraw/zinc/08/90/73/188089073.db2.gz 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CCN1CCCC[C@H]1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352994813 364701412 /nfs/dbraw/zinc/70/14/12/364701412.db2.gz VKLNVLWMSYNJLJ-QWHCGFSZSA-N -1 3 292.383 1.496 10 0 CDAEHM CO[C@H](C)CCC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352996192 364702641 /nfs/dbraw/zinc/70/26/41/364702641.db2.gz XPIMPHVANMDITI-KOLCDFICSA-N -1 3 267.329 1.437 10 0 CDAEHM CCOC(=O)[C@@H](CC)C(=O)Nc1nc(C)ccc1[O-] ZINC000412248644 240111612 /nfs/dbraw/zinc/11/16/12/240111612.db2.gz RUDCHSLAUQGILF-VIFPVBQESA-N -1 3 266.297 1.623 10 0 CDAEHM CC(=O)c1ccc(C(=O)N[C@H]2C[C@@H]2C(F)F)cc1[O-] ZINC000412341228 240161967 /nfs/dbraw/zinc/16/19/67/240161967.db2.gz FEMNFCTYLCLFAH-UWVGGRQHSA-N -1 3 269.247 1.978 10 0 CDAEHM CC1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)OCCO1 ZINC000271156677 364949558 /nfs/dbraw/zinc/94/95/58/364949558.db2.gz WBNPKDUWOYYVOQ-UHFFFAOYSA-N -1 3 288.303 1.433 10 0 CDAEHM O=C1COc2ccc(CNCc3ncccc3[O-])cc2N1 ZINC000353255538 365091879 /nfs/dbraw/zinc/09/18/79/365091879.db2.gz GIKRDTXEXYPXAF-UHFFFAOYSA-N -1 3 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ZINC000434088093 248075229 /nfs/dbraw/zinc/07/52/29/248075229.db2.gz DFUMIGKBSDLDHH-UHFFFAOYSA-N -1 3 256.331 1.282 10 0 CDAEHM CSc1nc(NC(=O)CCOCC2CC2)n[n-]1 ZINC000434088093 248075232 /nfs/dbraw/zinc/07/52/32/248075232.db2.gz DFUMIGKBSDLDHH-UHFFFAOYSA-N -1 3 256.331 1.282 10 0 CDAEHM CC(C)Oc1ccccc1NC(=O)C[C@H]1NC(=O)[N-]C1=O ZINC000074728770 376898262 /nfs/dbraw/zinc/89/82/62/376898262.db2.gz JMGIIWFJCISKAV-SNVBAGLBSA-N -1 3 291.307 1.010 10 0 CDAEHM CCC(C)(CC)[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631959182 376847393 /nfs/dbraw/zinc/84/73/93/376847393.db2.gz NPHBPQOODOWHKT-UHFFFAOYSA-N -1 3 264.372 1.706 10 0 CDAEHM COC1(CS(=O)(=O)[N-]Cc2ncccc2F)CCC1 ZINC000632132414 377040750 /nfs/dbraw/zinc/04/07/50/377040750.db2.gz ISGKDIFYULZOTL-UHFFFAOYSA-N -1 3 288.344 1.209 10 0 CDAEHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H]1COCC1(C)C ZINC000334651664 377214873 /nfs/dbraw/zinc/21/48/73/377214873.db2.gz DRIZFWKMXQZUHI-LLVKDONJSA-N -1 3 287.356 1.837 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC2=CCOCC2)o1 ZINC000334658595 377236699 /nfs/dbraw/zinc/23/66/99/377236699.db2.gz JBZDPPCEXQEENH-UHFFFAOYSA-N -1 3 257.311 1.213 10 0 CDAEHM Cc1cccc(CC[N-]S(=O)(=O)c2c[nH]c(=O)s2)n1 ZINC000632291225 377252681 /nfs/dbraw/zinc/25/26/81/377252681.db2.gz UPFQCZUCMPXAPD-UHFFFAOYSA-N -1 3 299.377 1.073 10 0 CDAEHM Cc1ccccc1[C@H](C)N(C)C(=O)CN1CC(=O)[N-]C1=O ZINC000264883673 190141509 /nfs/dbraw/zinc/14/15/09/190141509.db2.gz UDGXKRFUEOHUDF-NSHDSACASA-N -1 3 289.335 1.066 10 0 CDAEHM O=S(=O)(CCCN1CCCC1)[N-][C@@H]1CCCC1(F)F ZINC000632339637 377312550 /nfs/dbraw/zinc/31/25/50/377312550.db2.gz ZGULMPHTNKKDPF-LLVKDONJSA-N -1 3 296.383 1.580 10 0 CDAEHM O=C([O-])[C@H]1C[C@H]2Cc3c4ccccc4[nH]c3CN2C1 ZINC000102132629 304205276 /nfs/dbraw/zinc/20/52/76/304205276.db2.gz ADJRVNADGMXMCZ-UWVGGRQHSA-N -1 3 256.305 1.999 10 0 CDAEHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1conc1C ZINC000632508825 377545147 /nfs/dbraw/zinc/54/51/47/377545147.db2.gz OWXHTRAFXXLPCE-WCBMZHEXSA-N -1 3 276.358 1.058 10 0 CDAEHM CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632547745 377588864 /nfs/dbraw/zinc/58/88/64/377588864.db2.gz TWWASYMTJBTGLU-SSDOTTSWSA-N -1 3 278.399 1.952 10 0 CDAEHM C[C@]1(C[N-]S(=O)(=O)c2c[nH]c(=O)s2)C[C@H]2C[C@H]2C1 ZINC000632599255 377655882 /nfs/dbraw/zinc/65/58/82/377655882.db2.gz MVVJOBMZRGEOQE-VROVMSAKSA-N -1 3 288.394 1.563 10 0 CDAEHM Cn1ccc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCCC3)n1 ZINC000632653213 377711537 /nfs/dbraw/zinc/71/15/37/377711537.db2.gz CQGASEZHCIDAMF-ONGXEEELSA-N -1 3 255.343 1.031 10 0 CDAEHM CN1CC[C@@H](N=c2[nH]c(C(=O)[O-])co2)[C@@H]1c1ccccc1 ZINC000572245973 377782366 /nfs/dbraw/zinc/78/23/66/377782366.db2.gz JGXBVTVTYDJCOR-YPMHNXCESA-N -1 3 287.319 1.652 10 0 CDAEHM C[C@@H]1CSC[C@@H]1NC(=O)NCc1ncccc1[O-] ZINC000334945548 377761559 /nfs/dbraw/zinc/76/15/59/377761559.db2.gz SWANRVBJZUOXEP-SCZZXKLOSA-N -1 3 267.354 1.338 10 0 CDAEHM O=S(=O)([N-][C@@H](C1CCC1)[C@H]1CCCO1)c1c[nH]cn1 ZINC000632704929 377767613 /nfs/dbraw/zinc/76/76/13/377767613.db2.gz NGRYMCOGIQWFDH-PWSUYJOCSA-N -1 3 285.369 1.036 10 0 CDAEHM CCCCCCOC(=S)[N-][C@H]1C=CS(=O)(=O)C1 ZINC000040168006 377796269 /nfs/dbraw/zinc/79/62/69/377796269.db2.gz LFQSDDRYKGHVFC-JTQLQIEISA-N -1 3 277.411 1.769 10 0 CDAEHM O=C(Cc1ccc([O-])cc1Cl)NC[C@H]1CC[C@H](O)C1 ZINC000191377817 378027779 /nfs/dbraw/zinc/02/77/79/378027779.db2.gz CUEIPLJRVUMGPT-ONGXEEELSA-N -1 3 283.755 1.865 10 0 CDAEHM C[C@@H]1C[C@@H](NC(=O)NCc2ncccc2[O-])[C@H](C)O1 ZINC000633454917 378460310 /nfs/dbraw/zinc/46/03/10/378460310.db2.gz UCTFBQKVVMQORW-KXUCPTDWSA-N -1 3 265.313 1.152 10 0 CDAEHM CC(C)(C)C1CC(C(=O)NCc2cc(=O)[n-]c(=O)[nH]2)C1 ZINC000633520300 378508925 /nfs/dbraw/zinc/50/89/25/378508925.db2.gz DYXHAHZGDSGLQE-UHFFFAOYSA-N -1 3 279.340 1.576 10 0 CDAEHM CCCC[C@H](C)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633521442 378513194 /nfs/dbraw/zinc/51/31/94/378513194.db2.gz QXMVSVXNFQPOHN-QMMMGPOBSA-N -1 3 253.302 1.330 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(=O)[nH]1)[C@H](c1ccccc1)C1CC1 ZINC000633521423 378513921 /nfs/dbraw/zinc/51/39/21/378513921.db2.gz QNKHCYDPNUJGBQ-CQSZACIVSA-N -1 3 299.330 1.698 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(=O)[nH]1)[C@@H]1CCCc2ccccc21 ZINC000633521978 378514383 /nfs/dbraw/zinc/51/43/83/378514383.db2.gz QOABJLGKUOKMNZ-CYBMUJFWSA-N -1 3 299.330 1.624 10 0 CDAEHM O=C(CC1CCSCC1)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633522265 378514982 /nfs/dbraw/zinc/51/49/82/378514982.db2.gz YQWPTVHGPDXOGO-UHFFFAOYSA-N -1 3 283.353 1.037 10 0 CDAEHM Cc1ccc(CC(=O)NCc2cc(=O)[n-]c(=O)[nH]2)s1 ZINC000633522476 378515224 /nfs/dbraw/zinc/51/52/24/378515224.db2.gz VPPQIOQVYJKBIL-UHFFFAOYSA-N -1 3 279.321 1.117 10 0 CDAEHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccco1 ZINC000445711882 250225971 /nfs/dbraw/zinc/22/59/71/250225971.db2.gz MIYLXFUCSFBKSN-SECBINFHSA-N -1 3 287.362 1.661 10 0 CDAEHM O=C(CCc1ncc[nH]1)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000344167390 379285254 /nfs/dbraw/zinc/28/52/54/379285254.db2.gz HGBTXHLLXGUELO-UHFFFAOYSA-N -1 3 282.307 1.188 10 0 CDAEHM CC[C@](C)(O)CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000267231830 190313827 /nfs/dbraw/zinc/31/38/27/190313827.db2.gz WECUVWQPXDIWAA-AWEZNQCLSA-N -1 3 280.324 1.241 10 0 CDAEHM CC(C)N(C)C[C@@H](C)N=c1[n-]c(C2CCC2)no1 ZINC000450533636 251325777 /nfs/dbraw/zinc/32/57/77/251325777.db2.gz WDJYNMFLAOFHTC-SNVBAGLBSA-N -1 3 252.362 1.900 10 0 CDAEHM O=c1nc([C@H]2CCCN(Cc3ccc(F)cc3F)C2)[nH][n-]1 ZINC000289386444 197324084 /nfs/dbraw/zinc/32/40/84/197324084.db2.gz JRSLOVGPPCKNAV-JTQLQIEISA-N -1 3 294.305 1.756 10 0 CDAEHM CN(C)c1cccc(S(=O)(=O)[N-]c2ccncc2)c1 ZINC000493132847 253379769 /nfs/dbraw/zinc/37/97/69/253379769.db2.gz NXUCXVJWNPIERK-UHFFFAOYSA-N -1 3 277.349 1.370 10 0 CDAEHM Cc1ccc(CS(=O)(=O)[N-]CC2(C)OCCO2)cc1C ZINC000289296995 197288074 /nfs/dbraw/zinc/28/80/74/197288074.db2.gz YZWIVKRCPJSDRU-UHFFFAOYSA-N -1 3 299.392 1.486 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-]Cc1ccoc1 ZINC000289267561 197278936 /nfs/dbraw/zinc/27/89/36/197278936.db2.gz ZAVQNCXZRCGNTK-UHFFFAOYSA-N -1 3 282.321 1.552 10 0 CDAEHM CCC(=O)C[N-]S(=O)(=O)Cc1ccc(C)c(C)c1 ZINC000289193107 197258889 /nfs/dbraw/zinc/25/88/89/197258889.db2.gz OBQHJNUAAQIAFD-UHFFFAOYSA-N -1 3 269.366 1.702 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-]CCCCOC ZINC000289055346 197223560 /nfs/dbraw/zinc/22/35/60/197223560.db2.gz FVDIECVGDNAPAH-UHFFFAOYSA-N -1 3 288.369 1.185 10 0 CDAEHM CN1C[C@H]2CCN(C(=O)c3c[n-]c4ccccc4c3=O)[C@H]2C1 ZINC000646934532 390309851 /nfs/dbraw/zinc/30/98/51/390309851.db2.gz UZRRKUCBINKXHC-ABAIWWIYSA-N -1 3 297.358 1.304 10 0 CDAEHM C[C@@H]1CCN(Cc2cnc3ccccn23)C[C@@H]1C(=O)[O-] ZINC000647460759 390963757 /nfs/dbraw/zinc/96/37/57/390963757.db2.gz SIHCCBWYIRIYJL-YPMHNXCESA-N -1 3 273.336 1.877 10 0 CDAEHM O=S(=O)([N-]CC[C@@H]1CCOC1)c1ccc(F)c(F)c1 ZINC000343990518 391095332 /nfs/dbraw/zinc/09/53/32/391095332.db2.gz JZFDODHCFPRALL-SECBINFHSA-N -1 3 291.319 1.670 10 0 CDAEHM C[C@H]1CCCCN1CCNC(=O)c1ncccc1[O-] ZINC000263648909 391124648 /nfs/dbraw/zinc/12/46/48/391124648.db2.gz FKMHEJUGKRVBDX-NSHDSACASA-N -1 3 263.341 1.391 10 0 CDAEHM CO[C@@H](CC[N-]S(=O)(=O)c1cccnc1)C(F)(F)F ZINC000345356908 391153691 /nfs/dbraw/zinc/15/36/91/391153691.db2.gz SBFJHNPPSYBABR-VIFPVBQESA-N -1 3 298.286 1.327 10 0 CDAEHM O=C(Cn1ccc(=O)c2ccccc21)Nc1ccncc1[O-] ZINC000345363141 391156776 /nfs/dbraw/zinc/15/67/76/391156776.db2.gz XCWROMNUWNQGML-UHFFFAOYSA-N -1 3 295.298 1.163 10 0 CDAEHM Cc1cc(C[C@@H](C)NC(=O)c2csc(=O)[n-]2)[nH]n1 ZINC000526918708 391228631 /nfs/dbraw/zinc/22/86/31/391228631.db2.gz LCALRAFQJUSCGW-ZCFIWIBFSA-N -1 3 266.326 1.241 10 0 CDAEHM CCc1nc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)co1 ZINC000526960651 391236356 /nfs/dbraw/zinc/23/63/56/391236356.db2.gz DXFMCFGSQVLANC-SNVBAGLBSA-N -1 3 276.296 1.486 10 0 CDAEHM O=C([O-])[C@H]1CN(CCOCC2CC2)C[C@@H]1C(F)(F)F ZINC000345502384 391236992 /nfs/dbraw/zinc/23/69/92/391236992.db2.gz FYKCFDNALCMTIB-UWVGGRQHSA-N -1 3 281.274 1.608 10 0 CDAEHM C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000189555587 391316322 /nfs/dbraw/zinc/31/63/22/391316322.db2.gz QVNIOPAQBPZKAK-GXSJLCMTSA-N -1 3 267.300 1.963 10 0 CDAEHM C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647779438 391342274 /nfs/dbraw/zinc/34/22/74/391342274.db2.gz IISLEAHJMPIQFJ-WISYIIOYSA-N -1 3 268.357 1.229 10 0 CDAEHM CC1(C)C[C@H]1NC(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411176403 391403950 /nfs/dbraw/zinc/40/39/50/391403950.db2.gz GLIGFBWTRPNVEG-GFCCVEGCSA-N -1 3 298.346 1.726 10 0 CDAEHM CCC1(CC)CCCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000188869742 391522575 /nfs/dbraw/zinc/52/25/75/391522575.db2.gz FOSFUSVPQHADQA-UHFFFAOYSA-N -1 3 295.383 1.357 10 0 CDAEHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1c([O-])cnc2ccccc21 ZINC000162432563 391629713 /nfs/dbraw/zinc/62/97/13/391629713.db2.gz DOKOQOMVKIFIOU-IUPBHXKESA-N -1 3 284.315 1.990 10 0 CDAEHM C[C@@H]1CN(c2nc3nncc-3c(O)[n-]2)[C@H](C)[C@@H](C)O1 ZINC000526084065 391593913 /nfs/dbraw/zinc/59/39/13/391593913.db2.gz XJYMFKPLCSCWRF-BWZBUEFSSA-N -1 3 263.301 1.061 10 0 CDAEHM CCc1ccc(CN[C@@H](C(=O)[O-])c2cnn(C)c2)cc1 ZINC000417601017 391691646 /nfs/dbraw/zinc/69/16/46/391691646.db2.gz RLDYNRVQNJOLRC-CQSZACIVSA-N -1 3 273.336 1.898 10 0 CDAEHM CSc1cc(C)ccc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000413896551 391860719 /nfs/dbraw/zinc/86/07/19/391860719.db2.gz SPLHETSPYSKYOL-UHFFFAOYSA-N -1 3 293.348 1.207 10 0 CDAEHM CC(C)[C@@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC000438502760 391933860 /nfs/dbraw/zinc/93/38/60/391933860.db2.gz XCVPSBUWYUTMAK-LLVKDONJSA-N -1 3 260.341 1.501 10 0 CDAEHM C[C@@H]1CN(C(=O)c2ccc3n[n-]nc3c2)[C@H](C)[C@H](C)O1 ZINC000438412057 391924525 /nfs/dbraw/zinc/92/45/25/391924525.db2.gz PPALZOWJVXWVCP-BBBLOLIVSA-N -1 3 274.324 1.596 10 0 CDAEHM Cc1ncccc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000525966941 392007918 /nfs/dbraw/zinc/00/79/18/392007918.db2.gz FXMANHXIJUVZAZ-LBPRGKRZSA-N -1 3 272.308 1.639 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000549698799 391956168 /nfs/dbraw/zinc/95/61/68/391956168.db2.gz GSCGVXKPXOEBPN-BRPSZJMVSA-N -1 3 263.297 1.571 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000549698799 391956169 /nfs/dbraw/zinc/95/61/69/391956169.db2.gz GSCGVXKPXOEBPN-BRPSZJMVSA-N -1 3 263.297 1.571 10 0 CDAEHM COCc1cccc([N-]S(=O)(=O)CC(C)(C)OC)c1 ZINC000439246051 392033298 /nfs/dbraw/zinc/03/32/98/392033298.db2.gz CFRZZTYAAWFJEH-UHFFFAOYSA-N -1 3 287.381 2.000 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCSC[C@@H]2CCO)n1 ZINC000336801660 392066258 /nfs/dbraw/zinc/06/62/58/392066258.db2.gz QVPUXSYKDHVNNZ-NSHDSACASA-N -1 3 283.397 1.044 10 0 CDAEHM CCC(C)(C)OC1CN(C(=O)N=c2cc(OC)n(C)[n-]2)C1 ZINC000529067775 392242625 /nfs/dbraw/zinc/24/26/25/392242625.db2.gz IDTMMINLGGAZBD-UHFFFAOYSA-N -1 3 296.371 1.272 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2CC[C@@]23CCOC3)cc1[O-] ZINC000422125105 392224753 /nfs/dbraw/zinc/22/47/53/392224753.db2.gz AYMZUMUTSCUBHW-HNNXBMFYSA-N -1 3 275.304 1.600 10 0 CDAEHM COc1cc(C(=O)NCC2(CCO)CCC2)ccc1[O-] ZINC000442817201 392326731 /nfs/dbraw/zinc/32/67/31/392326731.db2.gz YXVBKDFRKSQMCA-UHFFFAOYSA-N -1 3 279.336 1.683 10 0 CDAEHM CCCn1c(S[C@@H](C)c2nccc(N)n2)n[n-]c1=O ZINC000568108724 392367076 /nfs/dbraw/zinc/36/70/76/392367076.db2.gz LAXPJYPICGPKSZ-ZETCQYMHSA-N -1 3 280.357 1.450 10 0 CDAEHM COc1cccc(CC[N-]S(=O)(=O)c2cscn2)c1 ZINC000573959139 392476939 /nfs/dbraw/zinc/47/69/39/392476939.db2.gz RPNKCDULTVVBCZ-UHFFFAOYSA-N -1 3 298.389 1.673 10 0 CDAEHM COc1nnc(NC(=O)Cc2ccc(F)cc2)[n-]1 ZINC000126772152 392586314 /nfs/dbraw/zinc/58/63/14/392586314.db2.gz OFPQPZDAFZMUNF-UHFFFAOYSA-N -1 3 250.233 1.134 10 0 CDAEHM COc1nc(NC(=O)Cc2ccc(F)cc2)n[n-]1 ZINC000126772152 392586320 /nfs/dbraw/zinc/58/63/20/392586320.db2.gz OFPQPZDAFZMUNF-UHFFFAOYSA-N -1 3 250.233 1.134 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2ccc(F)cc2)n1 ZINC000126772152 392586324 /nfs/dbraw/zinc/58/63/24/392586324.db2.gz OFPQPZDAFZMUNF-UHFFFAOYSA-N -1 3 250.233 1.134 10 0 CDAEHM Cc1nsc(C)c1CN1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000574410443 392590489 /nfs/dbraw/zinc/59/04/89/392590489.db2.gz KRNMULNPQJFMIP-NSHDSACASA-N -1 3 292.412 1.638 10 0 CDAEHM O=S(=O)([N-][C@@H](c1ccco1)c1ccccc1)C1COC1 ZINC000493663297 392694864 /nfs/dbraw/zinc/69/48/64/392694864.db2.gz WEANHNVPDIJULQ-CQSZACIVSA-N -1 3 293.344 1.687 10 0 CDAEHM CCCC[C@@](C)(CO)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000649036355 392661302 /nfs/dbraw/zinc/66/13/02/392661302.db2.gz GFPQHDZECMOKCT-AWEZNQCLSA-N -1 3 294.330 1.768 10 0 CDAEHM CCCC[C@@](C)(CO)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000649036355 392661312 /nfs/dbraw/zinc/66/13/12/392661312.db2.gz GFPQHDZECMOKCT-AWEZNQCLSA-N -1 3 294.330 1.768 10 0 CDAEHM CCCC[C@@](C)(CO)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000649036355 392661321 /nfs/dbraw/zinc/66/13/21/392661321.db2.gz GFPQHDZECMOKCT-AWEZNQCLSA-N -1 3 294.330 1.768 10 0 CDAEHM CN(CCOCC(=O)[O-])CCOc1ccc(F)cc1 ZINC000517035880 392821831 /nfs/dbraw/zinc/82/18/31/392821831.db2.gz SEXNEXDAUXQXGR-UHFFFAOYSA-N -1 3 271.288 1.238 10 0 CDAEHM COc1cc(=NC(=O)NCC2CCC(F)CC2)[n-]n1C ZINC000646364795 393013259 /nfs/dbraw/zinc/01/32/59/393013259.db2.gz NKQGZYLYGCHATB-UHFFFAOYSA-N -1 3 284.335 1.500 10 0 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525528614 /nfs/dbraw/zinc/52/86/14/525528614.db2.gz FHRAMIZUICDLOF-ZCFIWIBFSA-N -1 3 274.114 1.717 10 0 CDAEHM C[C@@H](Oc1ccc2c([O-])coc2c1)C(=O)NC(C)(C)C ZINC000062805336 525934186 /nfs/dbraw/zinc/93/41/86/525934186.db2.gz PWILVCOBZGMLAI-SECBINFHSA-N -1 3 277.320 1.944 10 0 CDAEHM C[C@H](C(=O)N1CCCC1)N1CCC(CCC(=O)[O-])CC1 ZINC000050926397 525961481 /nfs/dbraw/zinc/96/14/81/525961481.db2.gz QQMRYRBEFLWULZ-GFCCVEGCSA-N -1 3 282.384 1.574 10 0 CDAEHM Cc1nnc(N2CCC[C@@H]2CN(C)C)c(C(=O)[O-])c1C ZINC000061656157 526358344 /nfs/dbraw/zinc/35/83/44/526358344.db2.gz CLXNPCGFEDHANB-LLVKDONJSA-N -1 3 278.356 1.322 10 0 CDAEHM Cc1nc(=O)n([C@@H](CN(C)C)C(C)C)c(C)c1CC(=O)[O-] ZINC000049223492 526632387 /nfs/dbraw/zinc/63/23/87/526632387.db2.gz BNIWXPSOLIKHPF-ZDUSSCGKSA-N -1 3 295.383 1.246 10 0 CDAEHM CC(C)=CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291631575 527391749 /nfs/dbraw/zinc/39/17/49/527391749.db2.gz UUVKUMYEGBTBJJ-UHFFFAOYSA-N -1 3 275.308 1.487 10 0 CDAEHM 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C=CC(=O)NCCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001141648972 936915170 /nfs/dbraw/zinc/91/51/70/936915170.db2.gz AEKLZVFBHNWCOX-UHFFFAOYSA-N -1 3 276.292 1.226 10 0 CDAEHM O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1cc2c(cc1[O-])OCO2 ZINC000863288058 929530109 /nfs/dbraw/zinc/53/01/09/929530109.db2.gz YAUARVXZEAKBTJ-BXKDBHETSA-N -1 3 291.303 1.418 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccccn2)c1 ZINC001135574814 930273632 /nfs/dbraw/zinc/27/36/32/930273632.db2.gz NJXMCTXTDBCBSC-UHFFFAOYSA-N -1 3 297.314 1.842 10 0 CDAEHM CO[C@@H](C)C(=O)NC[C@@H](C)N(C)C(=O)c1ccccc1[O-] ZINC001411497896 931838071 /nfs/dbraw/zinc/83/80/71/931838071.db2.gz KFHSKMSLWXDKQS-MNOVXSKESA-N -1 3 294.351 1.004 10 0 CDAEHM Cc1cc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc(C)n1 ZINC001144528407 931884231 /nfs/dbraw/zinc/88/42/31/931884231.db2.gz USFBZTDZTBFGLQ-UHFFFAOYSA-N -1 3 290.348 1.413 10 0 CDAEHM COC(=O)C[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])C[C@H]1C ZINC000928176007 933123696 /nfs/dbraw/zinc/12/36/96/933123696.db2.gz 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289.339 1.562 10 0 CDAEHM COc1nnc(NC(=O)[C@H]2CCCC(F)(F)C2)[n-]1 ZINC000282438172 367884911 /nfs/dbraw/zinc/88/49/11/367884911.db2.gz FRXKLDAONFKWPM-LURJTMIESA-N -1 3 260.244 1.577 10 0 CDAEHM COc1nc(NC(=O)[C@H]2CCCC(F)(F)C2)n[n-]1 ZINC000282438172 367884918 /nfs/dbraw/zinc/88/49/18/367884918.db2.gz FRXKLDAONFKWPM-LURJTMIESA-N -1 3 260.244 1.577 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H]2CCCC(F)(F)C2)n1 ZINC000282438172 367884921 /nfs/dbraw/zinc/88/49/21/367884921.db2.gz FRXKLDAONFKWPM-LURJTMIESA-N -1 3 260.244 1.577 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000528809093 367996698 /nfs/dbraw/zinc/99/66/98/367996698.db2.gz PJEJMLLXTIEFCV-QMMMGPOBSA-N -1 3 295.339 1.728 10 0 CDAEHM CCCN(C)S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000360029223 368083205 /nfs/dbraw/zinc/08/32/05/368083205.db2.gz KSEGMNJBJPHVSL-UHFFFAOYSA-N -1 3 268.342 1.561 10 0 CDAEHM C[C@@H]1COC[C@H]1N=c1[n-]c(Br)cs1 ZINC000575485561 368206614 /nfs/dbraw/zinc/20/66/14/368206614.db2.gz 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281255298 /nfs/dbraw/zinc/25/52/98/281255298.db2.gz PEUMBWXJCFWESV-UHFFFAOYSA-N -1 3 280.353 1.085 10 0 CDAEHM C[C@@H](CN(C)C(=O)C[C@@H]1NC(=O)[N-]C1=O)C1CCCCC1 ZINC000530036342 281428764 /nfs/dbraw/zinc/42/87/64/281428764.db2.gz CZHXNXYXKGEEEV-JQWIXIFHSA-N -1 3 295.383 1.259 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2CCCC[C@H]2CC(N)=O)c1 ZINC000155198922 289231728 /nfs/dbraw/zinc/23/17/28/289231728.db2.gz FEHPXUPKZDCAQP-NSHDSACASA-N -1 3 276.336 1.571 10 0 CDAEHM COc1cc(=NC(=O)N(C)[C@@H](C)c2cccnc2)[n-]n1C ZINC000547515725 289783366 /nfs/dbraw/zinc/78/33/66/289783366.db2.gz HJNOSKZDJRSLMI-JTQLQIEISA-N -1 3 289.339 1.471 10 0 CDAEHM CCOc1cccc(C(=O)N=c2cc(OC)n(C)[n-]2)c1 ZINC000547817605 289812432 /nfs/dbraw/zinc/81/24/32/289812432.db2.gz ZHYVQSVJKNQJCQ-UHFFFAOYSA-N -1 3 275.308 1.502 10 0 CDAEHM COc1cc(=NC(=O)N(C)Cc2ccco2)[n-]n1C ZINC000548171829 289854213 /nfs/dbraw/zinc/85/42/13/289854213.db2.gz PNBLPEOBIRACIQ-UHFFFAOYSA-N -1 3 264.285 1.108 10 0 CDAEHM CC1(C)Cc2cccc(CN[C@]3(C(=O)[O-])CCOC3)c2O1 ZINC000551057848 289999381 /nfs/dbraw/zinc/99/93/81/289999381.db2.gz HRLKVHSQGSZQMD-MRXNPFEDSA-N -1 3 291.347 1.733 10 0 CDAEHM O=C(N=c1cc2ccccn2[n-]1)[C@@H]1CCCc2n[nH]cc21 ZINC000553331081 290112806 /nfs/dbraw/zinc/11/28/06/290112806.db2.gz SUVZVPNSTCHIMF-LLVKDONJSA-N -1 3 281.319 1.538 10 0 CDAEHM O=C(N=c1cc2ccccn2[n-]1)N1CC[C@H](OC(F)F)C1 ZINC000554444096 290159425 /nfs/dbraw/zinc/15/94/25/290159425.db2.gz LZVQACPLWVGPHB-JTQLQIEISA-N -1 3 296.277 1.602 10 0 CDAEHM CCOC1(C)CN(C(=O)c2cccc3[n-]nnc32)C1 ZINC000556408639 290267360 /nfs/dbraw/zinc/26/73/60/290267360.db2.gz KDNPEPODBIBVAS-UHFFFAOYSA-N -1 3 260.297 1.209 10 0 CDAEHM CCOC1(C)CN(C(=O)c2cccc3nn[n-]c32)C1 ZINC000556408639 290267362 /nfs/dbraw/zinc/26/73/62/290267362.db2.gz KDNPEPODBIBVAS-UHFFFAOYSA-N -1 3 260.297 1.209 10 0 CDAEHM CCOC1(C)CN(C(=O)c2cccc3n[n-]nc32)C1 ZINC000556408639 290267363 /nfs/dbraw/zinc/26/73/63/290267363.db2.gz KDNPEPODBIBVAS-UHFFFAOYSA-N -1 3 260.297 1.209 10 0 CDAEHM CCN(Cc1occc1C)C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000557121604 290330367 /nfs/dbraw/zinc/33/03/67/290330367.db2.gz UWDQUXKRWLAKOR-UHFFFAOYSA-N -1 3 292.339 1.806 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CC2)s1 ZINC000562550076 290543488 /nfs/dbraw/zinc/54/34/88/290543488.db2.gz JTZLZAFOQZLWCQ-UWVGGRQHSA-N -1 3 272.395 1.776 10 0 CDAEHM C[C@](O)(CN1CC[C@H](C(F)(F)F)C(C)(C)C1)C(=O)[O-] ZINC000564660217 293389614 /nfs/dbraw/zinc/38/96/14/293389614.db2.gz COXIXJDNBJAVNQ-KWQFWETISA-N -1 3 283.290 1.732 10 0 CDAEHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cscn1)CO2 ZINC000564914225 293454607 /nfs/dbraw/zinc/45/46/07/293454607.db2.gz XRWLBMXPYPECQJ-SNVBAGLBSA-N -1 3 296.373 1.864 10 0 CDAEHM CC(C)CCCC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000568991963 294136373 /nfs/dbraw/zinc/13/63/73/294136373.db2.gz YJJPNJSYVYXWQF-NSHDSACASA-N -1 3 279.388 1.717 10 0 CDAEHM Cc1ccc2c([O-])c(C(=O)N3CCCNCC3)cnc2n1 ZINC000570513441 294252921 /nfs/dbraw/zinc/25/29/21/294252921.db2.gz XUHFIOVIEBCMHO-UHFFFAOYSA-N -1 3 286.335 1.079 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCO[C@]2(CCSC2)C1 ZINC000570571492 294263946 /nfs/dbraw/zinc/26/39/46/294263946.db2.gz FBCURTBIRWYJQK-CQSZACIVSA-N -1 3 295.360 1.446 10 0 CDAEHM O=c1cc(CN2Cc3cccnc3C2)nc(C2CC2)[n-]1 ZINC000571636687 294474315 /nfs/dbraw/zinc/47/43/15/294474315.db2.gz ZPACXWXZDXTKJF-UHFFFAOYSA-N -1 3 268.320 1.970 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CCCC[C@H]1C(F)F ZINC000574823261 295061086 /nfs/dbraw/zinc/06/10/86/295061086.db2.gz SESHGTRXAKMOMV-NSHDSACASA-N -1 3 270.279 1.976 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1C[C@H]1C1CC1)c1cscn1 ZINC000576275467 317108273 /nfs/dbraw/zinc/10/82/73/317108273.db2.gz BKTOYGNATJZQSG-IUCAKERBSA-N -1 3 258.368 1.468 10 0 CDAEHM Cc1c([N-]S(=O)(=O)N2CCC2)cnn1-c1ccccc1 ZINC000576470985 317145574 /nfs/dbraw/zinc/14/55/74/317145574.db2.gz XHMPSPUHEJPWNF-UHFFFAOYSA-N -1 3 292.364 1.543 10 0 CDAEHM CCC[C@@H](C(=O)Nc1cc(C(=O)OCC)[n-]n1)N(C)C ZINC000181751390 323246642 /nfs/dbraw/zinc/24/66/42/323246642.db2.gz 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/nfs/dbraw/zinc/26/46/60/324264660.db2.gz JHWAMENKFUEXDU-GXTWGEPZSA-N -1 3 290.363 1.345 10 0 CDAEHM COC[C@@H]1CCCN(C(=O)c2cccc3[n-]nnc32)CC1 ZINC000580041940 324348408 /nfs/dbraw/zinc/34/84/08/324348408.db2.gz WSJGGBALWUYCNM-LLVKDONJSA-N -1 3 288.351 1.847 10 0 CDAEHM COC[C@@H]1CCCN(C(=O)c2cccc3nn[n-]c32)CC1 ZINC000580041940 324348412 /nfs/dbraw/zinc/34/84/12/324348412.db2.gz WSJGGBALWUYCNM-LLVKDONJSA-N -1 3 288.351 1.847 10 0 CDAEHM COC[C@@H]1CCCN(C(=O)c2cccc3n[n-]nc32)CC1 ZINC000580041940 324348416 /nfs/dbraw/zinc/34/84/16/324348416.db2.gz WSJGGBALWUYCNM-LLVKDONJSA-N -1 3 288.351 1.847 10 0 CDAEHM CC1(C)COC[C@@H]1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000583308138 325147944 /nfs/dbraw/zinc/14/79/44/325147944.db2.gz UUUFSPKPKJSACU-NSHDSACASA-N -1 3 263.341 1.574 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000583448840 325178329 /nfs/dbraw/zinc/17/83/29/325178329.db2.gz QWVJVXPWAYCQSZ-MNOVXSKESA-N -1 3 285.303 1.939 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000583448840 325178333 /nfs/dbraw/zinc/17/83/33/325178333.db2.gz QWVJVXPWAYCQSZ-MNOVXSKESA-N -1 3 285.303 1.939 10 0 CDAEHM C[C@@H]1COc2ccccc2CN1C[C@](C)(O)C(=O)[O-] ZINC000583636162 325213457 /nfs/dbraw/zinc/21/34/57/325213457.db2.gz KUHVBVBILHEVMW-YGRLFVJLSA-N -1 3 265.309 1.105 10 0 CDAEHM C[C@@H]1COc2ccccc2CN1C[C@@](C)(O)C(=O)[O-] ZINC000583636161 325213595 /nfs/dbraw/zinc/21/35/95/325213595.db2.gz KUHVBVBILHEVMW-QMTHXVAHSA-N -1 3 265.309 1.105 10 0 CDAEHM Cc1csc(CS(=O)(=O)c2nc3c([n-]2)CCC3)n1 ZINC000584096995 326946326 /nfs/dbraw/zinc/94/63/26/326946326.db2.gz BTRXEDXJXDMBIE-UHFFFAOYSA-N -1 3 283.378 1.637 10 0 CDAEHM Cc1cccc([C@H](C)N[C@H]2CCN(CC(=O)[O-])C2=O)c1C ZINC000662211491 482613791 /nfs/dbraw/zinc/61/37/91/482613791.db2.gz PLNAZGHZLHWBIK-JSGCOSHPSA-N -1 3 290.363 1.640 10 0 CDAEHM CN1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])C1=O ZINC000294813571 482625746 /nfs/dbraw/zinc/62/57/46/482625746.db2.gz JQQSIWJXUFVFJE-VIFPVBQESA-N -1 3 282.727 1.853 10 0 CDAEHM CO[C@@H](C)c1nsc(=NCC2(N(C)C)CCCC2)[n-]1 ZINC000381826132 482898580 /nfs/dbraw/zinc/89/85/80/482898580.db2.gz OVECWKQJUJRZKM-JTQLQIEISA-N -1 3 284.429 1.954 10 0 CDAEHM CCc1ccc(C(=O)N[C@H]2CCN(CC)C2=O)c([O-])c1 ZINC000670170852 482939037 /nfs/dbraw/zinc/93/90/37/482939037.db2.gz YPDPNHNRVWGXER-LBPRGKRZSA-N -1 3 276.336 1.305 10 0 CDAEHM C[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C(C)(C)O ZINC000678315626 483025627 /nfs/dbraw/zinc/02/56/27/483025627.db2.gz VVLRYWNBEYMXKG-VIFPVBQESA-N -1 3 293.363 1.995 10 0 CDAEHM CC(C)(C)c1ccc(S(=O)(=O)[N-]C2(CO)CC2)s1 ZINC000678802321 483174864 /nfs/dbraw/zinc/17/48/64/483174864.db2.gz QUODDTVCQZKZHE-UHFFFAOYSA-N -1 3 289.422 1.849 10 0 CDAEHM CCc1cc([N-]C(=O)c2cn(C3CCOCC3)nn2)no1 ZINC000685752708 483215045 /nfs/dbraw/zinc/21/50/45/483215045.db2.gz GHZYYKVLEZFLIE-UHFFFAOYSA-N -1 3 291.311 1.432 10 0 CDAEHM C[C@@H](c1ccncc1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000676664780 483552336 /nfs/dbraw/zinc/55/23/36/483552336.db2.gz CLFSXERWUDEPKY-JTQLQIEISA-N -1 3 273.340 1.846 10 0 CDAEHM CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccccc1[O-] ZINC000211181042 483592864 /nfs/dbraw/zinc/59/28/64/483592864.db2.gz FHSCQKPJHFCMEM-LBPRGKRZSA-N -1 3 298.408 1.497 10 0 CDAEHM CCc1cccc(C(=O)N[C@H]2CCc3cncn3C2)c1[O-] ZINC000672150598 483656842 /nfs/dbraw/zinc/65/68/42/483656842.db2.gz DHINQVSZBZZJKT-LBPRGKRZSA-N -1 3 285.347 1.896 10 0 CDAEHM CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000049560950 519334854 /nfs/dbraw/zinc/33/48/54/519334854.db2.gz NIWWMAVOHPUEMS-VXGBXAGGSA-N -1 3 285.388 1.221 10 0 CDAEHM CC(C)CCNC(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC000050925312 519655912 /nfs/dbraw/zinc/65/59/12/519655912.db2.gz DTTOBRGLDNOONO-ZDUSSCGKSA-N -1 3 284.400 1.868 10 0 CDAEHM CC(C)[C@@H](CN(C)C)NS(=O)(=O)c1ccc([O-])cc1 ZINC000049227495 519793653 /nfs/dbraw/zinc/79/36/53/519793653.db2.gz ZKZGFPFSURZOBY-CYBMUJFWSA-N -1 3 286.397 1.257 10 0 CDAEHM CC(C)CN1CCN([C@@H]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000062756737 519727456 /nfs/dbraw/zinc/72/74/56/519727456.db2.gz BWHADWRXEQVQHV-QWHCGFSZSA-N -1 3 254.374 1.513 10 0 CDAEHM CCN(C(=O)NC[C@@H]1CCCN(C)C1)[C@H](C)CC(=O)[O-] ZINC000061214521 519964896 /nfs/dbraw/zinc/96/48/96/519964896.db2.gz CLEZRZWSKKXSQU-NEPJUHHUSA-N -1 3 285.388 1.223 10 0 CDAEHM CCO[C@H](CCN1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000062750529 520502980 /nfs/dbraw/zinc/50/29/80/520502980.db2.gz NXQIIDQKIKICOD-OAHLLOKOSA-N -1 3 292.379 1.688 10 0 CDAEHM CCO[C@H](CN(C)Cc1cccc(OC)c1)C(=O)[O-] ZINC000062756330 520514069 /nfs/dbraw/zinc/51/40/69/520514069.db2.gz WDLZMZBFEBHGOA-CYBMUJFWSA-N -1 3 267.325 1.617 10 0 CDAEHM CC1(C)[C@H](C(=O)N2CC[C@H](N3CCCCC3)C2)[C@@H]1C(=O)[O-] ZINC000068689028 520647090 /nfs/dbraw/zinc/64/70/90/520647090.db2.gz LNGQBJGCYXTQER-RWMBFGLXSA-N -1 3 294.395 1.430 10 0 CDAEHM CCCCNC(=O)[C@@H](C)N(CC)[C@@H](C)CC(=O)[O-] ZINC000061182457 520649999 /nfs/dbraw/zinc/64/99/99/520649999.db2.gz HGUGLCUEXUEYLV-WDEREUQCSA-N -1 3 258.362 1.476 10 0 CDAEHM CCN(CCC(=O)[O-])C(=O)[C@@H](CN)c1ccccc1 ZINC000061613355 520986665 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ZINC000055068992 523960399 /nfs/dbraw/zinc/96/03/99/523960399.db2.gz YRCGIFFFFGENSU-VIFPVBQESA-N -1 3 255.391 1.398 10 0 CDAEHM CN1CC[C@H](NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])C1 ZINC000050930420 523984360 /nfs/dbraw/zinc/98/43/60/523984360.db2.gz ZGQCYSQJAFTDRC-NWDGAFQWSA-N -1 3 283.372 1.119 10 0 CDAEHM C[C@@H]1CCCN(C(=O)N2CCCN(CC(=O)[O-])CC2)[C@H]1C ZINC000061146373 524197582 /nfs/dbraw/zinc/19/75/82/524197582.db2.gz GOYIYWTVNQGTLE-OLZOCXBDSA-N -1 3 297.399 1.319 10 0 CDAEHM Cc1cc(C)c(C(=O)[O-])c(NC[C@H]2CCS(=O)(=O)C2)n1 ZINC000050603466 524245295 /nfs/dbraw/zinc/24/52/95/524245295.db2.gz VHTGNRMVQQYDPM-SNVBAGLBSA-N -1 3 298.364 1.243 10 0 CDAEHM Cc1ccc(CN)cc1[N-]S(=O)(=O)c1cccnc1 ZINC000050430756 524425234 /nfs/dbraw/zinc/42/52/34/524425234.db2.gz MYKCZJYRODRHBO-UHFFFAOYSA-N -1 3 277.349 1.650 10 0 CDAEHM CSCC[C@H](N)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050927159 525578188 /nfs/dbraw/zinc/57/81/88/525578188.db2.gz FKDHNRQGDDEZPH-MNOVXSKESA-N -1 3 288.413 1.313 10 0 CDAEHM Cc1cc(=O)[n-]c(SCc2cccnc2C(=N)N)n1 ZINC000061658952 526122129 /nfs/dbraw/zinc/12/21/29/526122129.db2.gz TWDPKPFJDJAHNY-UHFFFAOYSA-N -1 3 275.337 1.050 10 0 CDAEHM Cc1nnc(NC2CCN(C)CC2)c(C(=O)[O-])c1C ZINC000054527735 526368489 /nfs/dbraw/zinc/36/84/89/526368489.db2.gz PZWKNFDVFSDSIE-UHFFFAOYSA-N -1 3 264.329 1.298 10 0 CDAEHM Nc1cc(=O)[n-]c(C2(c3ccccc3)CCOCC2)n1 ZINC000062783280 527440337 /nfs/dbraw/zinc/44/03/37/527440337.db2.gz BOVVDXWNCLNGSJ-UHFFFAOYSA-N -1 3 271.320 1.449 10 0 CDAEHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cc(F)c[nH]1 ZINC000339862448 527503171 /nfs/dbraw/zinc/50/31/71/527503171.db2.gz VZEQBOUPTCOQFF-UHFFFAOYSA-N -1 3 261.216 1.784 10 0 CDAEHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cc(F)c[nH]1 ZINC000339862448 527503176 /nfs/dbraw/zinc/50/31/76/527503176.db2.gz VZEQBOUPTCOQFF-UHFFFAOYSA-N -1 3 261.216 1.784 10 0 CDAEHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc(F)c[nH]1 ZINC000339862448 527503181 /nfs/dbraw/zinc/50/31/81/527503181.db2.gz VZEQBOUPTCOQFF-UHFFFAOYSA-N -1 3 261.216 1.784 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)Cc1cc(C)on1)[C@H](O)C(C)C ZINC000416614441 535924957 /nfs/dbraw/zinc/92/49/57/535924957.db2.gz FWTSXKRRSGDDLD-NWDGAFQWSA-N -1 3 290.385 1.198 10 0 CDAEHM COc1cccc(C(=O)N[C@H]2CC[C@H](CO)CC2)c1[O-] ZINC000129360563 538319242 /nfs/dbraw/zinc/31/92/42/538319242.db2.gz OWEIKCDKFHOGGX-PHIMTYICSA-N -1 3 279.336 1.682 10 0 CDAEHM CC1(C)[C@@H](CNC(=O)c2csc(=O)[n-]2)C1(F)F ZINC000619387590 538436786 /nfs/dbraw/zinc/43/67/86/538436786.db2.gz PIFAKZOZHUYGPQ-ZCFIWIBFSA-N -1 3 262.281 1.870 10 0 CDAEHM Cc1cc([N-]C(=O)[C@@H](C)OC(=O)CCOCC2CC2)on1 ZINC000751719308 574655016 /nfs/dbraw/zinc/65/50/16/574655016.db2.gz IERWWUDQVMBTAH-SNVBAGLBSA-N -1 3 296.323 1.670 10 0 CDAEHM CNc1ncc(C(=O)OCc2cc(=O)c([O-])co2)s1 ZINC000770041118 575415604 /nfs/dbraw/zinc/41/56/04/575415604.db2.gz OGUHRCPHEASEAL-UHFFFAOYSA-N -1 3 282.277 1.201 10 0 CDAEHM Cc1nc2nc(=O)c3c(n2[n-]1)CCN(Cc1ccccc1)C3 ZINC000393941401 570277816 /nfs/dbraw/zinc/27/78/16/570277816.db2.gz XSJVRAIPWFBFOM-UHFFFAOYSA-N -1 3 295.346 1.284 10 0 CDAEHM COC(=O)CCN(C(=O)/C=C\c1cncc([O-])c1)C(C)C ZINC000770490759 575455285 /nfs/dbraw/zinc/45/52/85/575455285.db2.gz OJFRSPOLLKJHIW-PLNGDYQASA-N -1 3 292.335 1.601 10 0 CDAEHM Cc1cc(=O)[n-]c(CN(C)[C@H](CO)c2ccccc2)n1 ZINC000772743297 575746057 /nfs/dbraw/zinc/74/60/57/575746057.db2.gz UGCDXFZIYKVWMM-CYBMUJFWSA-N -1 3 273.336 1.656 10 0 CDAEHM CC(=O)O[C@@H]1CCCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000765081359 575984048 /nfs/dbraw/zinc/98/40/48/575984048.db2.gz SSGFRLKJKMZKEY-GFCCVEGCSA-N -1 3 277.320 1.868 10 0 CDAEHM O=C(Nc1ccnc(CO)c1)c1ccc2n[n-]nc2c1 ZINC000765310703 576008275 /nfs/dbraw/zinc/00/82/75/576008275.db2.gz YSEGRRQHDNYCBS-UHFFFAOYSA-N -1 3 269.264 1.098 10 0 CDAEHM COC[C@](C)(CCO)NCCOc1ccccc1C(=O)[O-] ZINC000768782118 576307970 /nfs/dbraw/zinc/30/79/70/576307970.db2.gz WXNSWWCNYDQXHI-HNNXBMFYSA-N -1 3 297.351 1.141 10 0 CDAEHM CC(C)OC[C@H](O)COC(=O)c1ccc(Cl)cc1[O-] ZINC000769086542 576328367 /nfs/dbraw/zinc/32/83/67/576328367.db2.gz YNQJVZSERKUXSD-JTQLQIEISA-N 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/nfs/dbraw/zinc/34/10/95/629341095.db2.gz SKHKYNDFQQWSHY-MWLCHTKSSA-N -1 3 292.335 1.499 10 0 CDAEHM O=C(c1cccc(O)c1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911853170 629591539 /nfs/dbraw/zinc/59/15/39/629591539.db2.gz RYBNXOOGYXOMNM-SNVBAGLBSA-N -1 3 273.292 1.451 10 0 CDAEHM Cc1cncc(C=CC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC000911854597 629593300 /nfs/dbraw/zinc/59/33/00/629593300.db2.gz MFYQUUZOODLYKC-ZRMMWKCHSA-N -1 3 298.346 1.848 10 0 CDAEHM CCc1nnc(C(=O)[N-]c2nnc(C3CC3)n2C)s1 ZINC000912291607 629895891 /nfs/dbraw/zinc/89/58/91/629895891.db2.gz IYBUMBHYNVANGJ-UHFFFAOYSA-N -1 3 278.341 1.359 10 0 CDAEHM CC(C)c1ccc(C(=O)N2CCN(C)[C@H](CO)C2)c([O-])c1 ZINC000913546542 630539412 /nfs/dbraw/zinc/53/94/12/630539412.db2.gz SAVZZTHXMJLFMZ-ZDUSSCGKSA-N -1 3 292.379 1.264 10 0 CDAEHM CC(F)(F)CCS(=O)(=O)[N-]CC(=O)c1cncs1 ZINC000921677550 633155062 /nfs/dbraw/zinc/15/50/62/633155062.db2.gz FFLCQWRPBGEWHO-UHFFFAOYSA-N -1 3 298.336 1.291 10 0 CDAEHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c[nH]c(=O)s2)CCS1 ZINC000921716021 633236411 /nfs/dbraw/zinc/23/64/11/633236411.db2.gz VCBUZAJBBPZJED-NKWVEPMBSA-N -1 3 294.423 1.411 10 0 CDAEHM CO[N-]C(=O)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000084741064 1158596705 /nfs/dbraw/zinc/59/67/05/1158596705.db2.gz DJTBTCPPXUAUFI-UWVGGRQHSA-N -1 3 272.345 1.748 10 0 CDAEHM O=C(CCc1ccon1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001616057331 1165562952 /nfs/dbraw/zinc/56/29/52/1165562952.db2.gz ZUFBIUYXUZLKRA-UHFFFAOYSA-N -1 3 298.306 1.104 10 0 CDAEHM O=C(CCc1ccon1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001616057331 1165562958 /nfs/dbraw/zinc/56/29/58/1165562958.db2.gz ZUFBIUYXUZLKRA-UHFFFAOYSA-N -1 3 298.306 1.104 10 0 CDAEHM Cc1ncccc1C=CC(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001633273500 1166413877 /nfs/dbraw/zinc/41/38/77/1166413877.db2.gz QBXWBFUJNWYPER-PLNGDYQASA-N -1 3 296.330 1.484 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2ncccc2O)c1 ZINC001638380992 1166841995 /nfs/dbraw/zinc/84/19/95/1166841995.db2.gz YWTVLAGPFTTZTN-UHFFFAOYSA-N -1 3 299.286 1.870 10 0 CDAEHM O=C(Cc1ccc(F)cc1)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001639647797 1166958123 /nfs/dbraw/zinc/95/81/23/1166958123.db2.gz FYZXCAINARTPSF-UHFFFAOYSA-N -1 3 293.323 1.469 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)c2c(C)ccc(F)c2N)n1 ZINC001639659295 1166959648 /nfs/dbraw/zinc/95/96/48/1166959648.db2.gz DOMAJWLAXJJAQZ-UHFFFAOYSA-N -1 3 290.298 1.450 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2n[nH]c(C)n2)c1 ZINC001565561494 1168154501 /nfs/dbraw/zinc/15/45/01/1168154501.db2.gz LSNXNLPAGQOVFV-UHFFFAOYSA-N -1 3 287.279 1.196 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(C)cnc1Cl ZINC001565612195 1168159227 /nfs/dbraw/zinc/15/92/27/1168159227.db2.gz GFJUCBNKAHZTIQ-VIFPVBQESA-N -1 3 294.742 1.285 10 0 CDAEHM CCCCCC[C@@H](O)CCC(=O)Nc1nnc(OC)[n-]1 ZINC001566427756 1168269342 /nfs/dbraw/zinc/26/93/42/1168269342.db2.gz CEIMESBMIQQWDT-SNVBAGLBSA-N -1 3 284.360 1.863 10 0 CDAEHM CCCCCC[C@@H](O)CCC(=O)Nc1n[n-]c(OC)n1 ZINC001566427756 1168269347 /nfs/dbraw/zinc/26/93/47/1168269347.db2.gz CEIMESBMIQQWDT-SNVBAGLBSA-N -1 3 284.360 1.863 10 0 CDAEHM CCCCCC[C@@H](O)CCC(=O)Nc1nc(OC)n[n-]1 ZINC001566427756 1168269353 /nfs/dbraw/zinc/26/93/53/1168269353.db2.gz CEIMESBMIQQWDT-SNVBAGLBSA-N -1 3 284.360 1.863 10 0 CDAEHM COC(=O)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C)o1 ZINC001647128385 1168394630 /nfs/dbraw/zinc/39/46/30/1168394630.db2.gz MARYUORDBYLIBK-VHSXEESVSA-N -1 3 287.337 1.208 10 0 CDAEHM COCCN(CCC(=O)[O-])Cc1ccc(C(F)F)nc1 ZINC001647409564 1168657123 /nfs/dbraw/zinc/65/71/23/1168657123.db2.gz IIOLBVAKKLDRFS-UHFFFAOYSA-N -1 3 288.294 1.942 10 0 CDAEHM Cc1nccnc1[C@H](C)NC(=O)c1ccccc1[O-] ZINC001651402575 1171319885 /nfs/dbraw/zinc/31/98/85/1171319885.db2.gz RJNQOHOLHUROTJ-JTQLQIEISA-N -1 3 257.293 1.982 10 0 CDAEHM CC[C@@H](CO)C(=O)Nc1cc(C(=O)OC)cc(OC)c1[O-] ZINC001653220263 1171517410 /nfs/dbraw/zinc/51/74/10/1171517410.db2.gz LRFFUJVRKFPYBB-QMMMGPOBSA-N -1 3 297.307 1.144 10 0 CDAEHM O=C(CCc1cnccn1)[N-]Oc1ccccc1F ZINC001594746687 1174187005 /nfs/dbraw/zinc/18/70/05/1174187005.db2.gz KWHGAGPGCUIDGK-UHFFFAOYSA-N -1 3 261.256 1.659 10 0 CDAEHM CCCCCC[C@](C)(CC)C(=O)[N-]OCC(N)=O ZINC001597916735 1174298476 /nfs/dbraw/zinc/29/84/76/1174298476.db2.gz CCNTXFSPLZQJFB-ZDUSSCGKSA-N -1 3 258.362 1.906 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)c2cncc(C=O)c2)[n-]n1 ZINC001598369266 1174314336 /nfs/dbraw/zinc/31/43/36/1174314336.db2.gz LTGYSJWGWNDABB-UHFFFAOYSA-N -1 3 288.263 1.046 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)c2cncc(C=O)c2)n[n-]1 ZINC001598369266 1174314343 /nfs/dbraw/zinc/31/43/43/1174314343.db2.gz LTGYSJWGWNDABB-UHFFFAOYSA-N -1 3 288.263 1.046 10 0 CDAEHM CCCOCC(=O)N(C)CCNC(=O)c1ccccc1[O-] ZINC001704183400 1177650121 /nfs/dbraw/zinc/65/01/21/1177650121.db2.gz PYQHHKXWBDLSQO-UHFFFAOYSA-N -1 3 294.351 1.007 10 0 CDAEHM CCOc1nnc(NC(=O)c2cc(C)nnc2CC)[n-]1 ZINC000228769488 1177915779 /nfs/dbraw/zinc/91/57/79/1177915779.db2.gz KXUBBFVRNUGEDO-UHFFFAOYSA-N -1 3 276.300 1.117 10 0 CDAEHM CCOc1nc(NC(=O)c2cc(C)nnc2CC)n[n-]1 ZINC000228769488 1177915785 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O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cccn2nccc12 ZINC001535601764 969576692 /nfs/dbraw/zinc/57/66/92/969576692.db2.gz VCSWMZXNZHQUFJ-UHFFFAOYSA-N -1 3 296.212 1.724 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc2c(C)cccn2c1 ZINC001464886657 969828894 /nfs/dbraw/zinc/82/88/94/969828894.db2.gz GVEOELUCMBTOJA-CYBMUJFWSA-N -1 3 298.346 1.490 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001464889392 969829888 /nfs/dbraw/zinc/82/98/88/969829888.db2.gz MZPORHNMHLEGKX-NEPJUHHUSA-N -1 3 277.368 1.585 10 0 CDAEHM Clc1ccc(CN2CCC(Cc3nnn[n-]3)CC2)nn1 ZINC001414030089 969867825 /nfs/dbraw/zinc/86/78/25/969867825.db2.gz ADXPDBBQOSHXNM-UHFFFAOYSA-N -1 3 293.762 1.098 10 0 CDAEHM Clc1ccc(CN2CCC(Cc3nn[n-]n3)CC2)nn1 ZINC001414030089 969867831 /nfs/dbraw/zinc/86/78/31/969867831.db2.gz ADXPDBBQOSHXNM-UHFFFAOYSA-N -1 3 293.762 1.098 10 0 CDAEHM CNc1ccc(Cl)c(C(=O)Nc2nnc(OC)[n-]2)c1 ZINC001466101322 969922788 /nfs/dbraw/zinc/92/27/88/969922788.db2.gz ISOGIKHBAAGMHZ-UHFFFAOYSA-N -1 3 281.703 1.761 10 0 CDAEHM CNc1ccc(Cl)c(C(=O)Nc2n[n-]c(OC)n2)c1 ZINC001466101322 969922791 /nfs/dbraw/zinc/92/27/91/969922791.db2.gz ISOGIKHBAAGMHZ-UHFFFAOYSA-N -1 3 281.703 1.761 10 0 CDAEHM CNc1ccc(Cl)c(C(=O)Nc2nc(OC)n[n-]2)c1 ZINC001466101322 969922797 /nfs/dbraw/zinc/92/27/97/969922797.db2.gz ISOGIKHBAAGMHZ-UHFFFAOYSA-N -1 3 281.703 1.761 10 0 CDAEHM Cc1cc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)cnn1 ZINC001468756626 970191034 /nfs/dbraw/zinc/19/10/34/970191034.db2.gz KNOVCOOEUHQNIJ-UHFFFAOYSA-N -1 3 295.306 1.141 10 0 CDAEHM Cc1cc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)cnn1 ZINC001468756626 970191038 /nfs/dbraw/zinc/19/10/38/970191038.db2.gz KNOVCOOEUHQNIJ-UHFFFAOYSA-N -1 3 295.306 1.141 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)C=Cc2ccco2)n1 ZINC001469724796 970268118 /nfs/dbraw/zinc/26/81/18/970268118.db2.gz UOMXLYPGBQDRIX-PLNGDYQASA-N -1 3 259.265 1.413 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)[C@H]1C[C@]12CCOC2 ZINC001471810752 970488766 /nfs/dbraw/zinc/48/87/66/970488766.db2.gz BELMIVIRIXRDNB-ABAIWWIYSA-N -1 3 289.335 1.102 10 0 CDAEHM COC(=O)[C@@H]1CC[C@H](NC(=O)c2ccc(O)cc2[O-])C1 ZINC001471933688 970514369 /nfs/dbraw/zinc/51/43/69/970514369.db2.gz RGDLBNNSUSJWHX-BDAKNGLRSA-N -1 3 279.292 1.169 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc2ccncc2c1 ZINC001361772082 970514977 /nfs/dbraw/zinc/51/49/77/970514977.db2.gz QJMHAZTWFBWWBD-AWEZNQCLSA-N -1 3 296.330 1.477 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1scnc1C(C)C ZINC001361772151 970515014 /nfs/dbraw/zinc/51/50/14/970515014.db2.gz RDDLJYFTGVFXBO-VIFPVBQESA-N -1 3 294.380 1.508 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)C1=C[S@@](=O)CCC1 ZINC001417672546 973269993 /nfs/dbraw/zinc/26/99/93/973269993.db2.gz XMICFZIBCDAPCR-IBGZPJMESA-N -1 3 283.324 1.574 10 0 CDAEHM CC/C(C)=C\C(=O)N[C@@H](C)CNC(=O)c1ccccc1[O-] ZINC001502855286 974795387 /nfs/dbraw/zinc/79/53/87/974795387.db2.gz SUCSWMJZCZAKNG-MMRAYRKESA-N -1 3 290.363 1.983 10 0 CDAEHM CC[C@@H](F)CNCc1cc(=O)[n-]c(CNC(=O)C(C)C)n1 ZINC001388763722 975584127 /nfs/dbraw/zinc/58/41/27/975584127.db2.gz CYPDYJZNFCTBGP-SNVBAGLBSA-N -1 3 298.362 1.292 10 0 CDAEHM CCCC(=O)NC[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001381461084 976837627 /nfs/dbraw/zinc/83/76/27/976837627.db2.gz YVFARFASMUWKKE-HAQNSBGRSA-N -1 3 290.363 1.817 10 0 CDAEHM COc1cc(Cl)ccc1OC(=O)c1nc[n-]n1 ZINC001570438785 1170160216 /nfs/dbraw/zinc/16/02/16/1170160216.db2.gz KHGFLRJRPXUBBP-UHFFFAOYSA-N -1 3 253.645 1.686 10 0 CDAEHM CCc1nocc1CN[C@H](Cc1cncs1)C(=O)[O-] ZINC001650014531 1126251721 /nfs/dbraw/zinc/25/17/21/1126251721.db2.gz MSNWCUZHOSIVNL-LLVKDONJSA-N -1 3 281.337 1.479 10 0 CDAEHM CC[C@H](F)C(=O)NCCCNC(=O)c1ccccc1[O-] ZINC001575710755 1171252858 /nfs/dbraw/zinc/25/28/58/1171252858.db2.gz PPQHIQKCKRTSDG-NSHDSACASA-N -1 3 282.315 1.376 10 0 CDAEHM Nc1c(-c2nnn[n-]2)cnn1-c1cccc(Cl)c1 ZINC000095221184 342464578 /nfs/dbraw/zinc/46/45/78/342464578.db2.gz GLMILACZLFMTNM-UHFFFAOYSA-N -1 3 261.676 1.288 10 0 CDAEHM Nc1c(-c2nn[n-]n2)cnn1-c1cccc(Cl)c1 ZINC000095221184 342464579 /nfs/dbraw/zinc/46/45/79/342464579.db2.gz GLMILACZLFMTNM-UHFFFAOYSA-N -1 3 261.676 1.288 10 0 CDAEHM O=C(NCCO[C@H]1CC1(F)F)c1ccc(O)cc1[O-] ZINC000618132323 342464882 /nfs/dbraw/zinc/46/48/82/342464882.db2.gz XXICVSGPFOIPAZ-JTQLQIEISA-N -1 3 273.235 1.252 10 0 CDAEHM COc1cc(C(=O)NCCO[C@@H]2CC2(F)F)ccc1[O-] ZINC000618132630 342465088 /nfs/dbraw/zinc/46/50/88/342465088.db2.gz DFLREOJLZDNZFF-LLVKDONJSA-N -1 3 287.262 1.555 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]([C@H]3CCOC3)C2)n1 ZINC000533080476 282082163 /nfs/dbraw/zinc/08/21/63/282082163.db2.gz OLPRPPKFZNDLJQ-OLZOCXBDSA-N -1 3 291.395 1.993 10 0 CDAEHM CC(C)c1ccccc1NC(=O)[C@H](N)CC(=O)[O-] ZINC000082555042 178089900 /nfs/dbraw/zinc/08/99/00/178089900.db2.gz KHPSFNGAGPMUAX-SNVBAGLBSA-N -1 3 250.298 1.551 10 0 CDAEHM COC(=O)[C@H]([N-]S(=O)(=O)C1CCC(C)CC1)C1CC1 ZINC000601362817 342557139 /nfs/dbraw/zinc/55/71/39/342557139.db2.gz XFUQPYBGYZTNQZ-QEWOUOOISA-N -1 3 289.397 1.436 10 0 CDAEHM O=C(NC[C@H]1CCC[C@@H]1O)c1c[n-]nc1-c1ccccn1 ZINC000580289355 365539088 /nfs/dbraw/zinc/53/90/88/365539088.db2.gz CTSQPVKRSCNOMI-MFKMUULPSA-N -1 3 286.335 1.363 10 0 CDAEHM Cc1cc(C(=O)NC2(CC(N)=O)CCC2)ccc1[O-] ZINC000354551610 365545629 /nfs/dbraw/zinc/54/56/29/365545629.db2.gz MJLLTTKJCVDVIP-UHFFFAOYSA-N -1 3 262.309 1.229 10 0 CDAEHM C[C@@H]1C[C@@H](CSc2nc3c(cnn3C)c(=O)[n-]2)CCO1 ZINC000629220429 361743864 /nfs/dbraw/zinc/74/38/64/361743864.db2.gz OBJFXNDKCDMOHB-BDAKNGLRSA-N -1 3 294.380 1.976 10 0 CDAEHM CCO[C@@H](CS(=O)(=O)[N-]C[C@]1(C)CCCO1)C1CC1 ZINC000625056577 342028659 /nfs/dbraw/zinc/02/86/59/342028659.db2.gz INUMCXKVUKAMCU-STQMWFEESA-N -1 3 291.413 1.290 10 0 CDAEHM Cc1ccnc(C[N-]S(=O)(=O)CCOCC2CCC2)n1 ZINC000625282031 342077265 /nfs/dbraw/zinc/07/72/65/342077265.db2.gz KOLDNMYAZRAPLY-UHFFFAOYSA-N -1 3 299.396 1.021 10 0 CDAEHM CCN1CN(Cc2cc([O-])ccc2Cl)CC1=O ZINC000625368705 342089252 /nfs/dbraw/zinc/08/92/52/342089252.db2.gz KFSDMTDMWOCPIK-UHFFFAOYSA-N -1 3 254.717 1.667 10 0 CDAEHM COC(=O)[C@H](NC(=O)c1cccc2nn[n-]c21)C(C)(C)C ZINC000611567774 346820056 /nfs/dbraw/zinc/82/00/56/346820056.db2.gz PCHKTKXPQTUYLZ-NSHDSACASA-N -1 3 290.323 1.275 10 0 CDAEHM COC(=O)[C@H](NC(=O)c1cccc2[n-]nnc21)C(C)(C)C ZINC000611567774 346820058 /nfs/dbraw/zinc/82/00/58/346820058.db2.gz PCHKTKXPQTUYLZ-NSHDSACASA-N -1 3 290.323 1.275 10 0 CDAEHM COC(=O)[C@H](NC(=O)c1cccc2n[n-]nc21)C(C)(C)C ZINC000611567774 346820059 /nfs/dbraw/zinc/82/00/59/346820059.db2.gz PCHKTKXPQTUYLZ-NSHDSACASA-N -1 3 290.323 1.275 10 0 CDAEHM CCCCS(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)OC ZINC000592075445 342664009 /nfs/dbraw/zinc/66/40/09/342664009.db2.gz KIGHMUFAEPUFHC-JTQLQIEISA-N -1 3 279.402 1.684 10 0 CDAEHM COC(=O)[C@@H]1CN(C(=O)c2ccc(C)cc2[O-])C[C@@H](C)O1 ZINC000600373614 342163368 /nfs/dbraw/zinc/16/33/68/342163368.db2.gz CIVANKOMXAQGLI-MFKMUULPSA-N -1 3 293.319 1.103 10 0 CDAEHM CCC(F)(F)C[N-]S(=O)(=O)c1ccc(C)nc1 ZINC000625454208 342170527 /nfs/dbraw/zinc/17/05/27/342170527.db2.gz RAOGHSKZPAUSPS-UHFFFAOYSA-N -1 3 264.297 1.714 10 0 CDAEHM CCOC(=O)c1ccc(NC(=O)C2(OC)CC2)c([O-])c1 ZINC000592780556 342727441 /nfs/dbraw/zinc/72/74/41/342727441.db2.gz MRSIEUCEYNJGJZ-UHFFFAOYSA-N -1 3 279.292 1.686 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)C2CCOCC2)c1 ZINC000533647306 282144486 /nfs/dbraw/zinc/14/44/86/282144486.db2.gz GXOLEPJECQHFSR-UHFFFAOYSA-N -1 3 292.335 1.602 10 0 CDAEHM Cc1cc(C2([N-]S(=O)(=O)C3CC3)CCOCC2)on1 ZINC000625652826 342193193 /nfs/dbraw/zinc/19/31/93/342193193.db2.gz MVSWSVCAYUKACW-UHFFFAOYSA-N -1 3 286.353 1.071 10 0 CDAEHM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000625666674 342193543 /nfs/dbraw/zinc/19/35/43/342193543.db2.gz FKYUEPDEZHEXIC-DKTWLAJQSA-N -1 3 291.319 1.668 10 0 CDAEHM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000625669284 342193697 /nfs/dbraw/zinc/19/36/97/342193697.db2.gz XPYMOWWMFJMNDA-WAAGHKOSSA-N -1 3 291.319 1.668 10 0 CDAEHM Cc1ccc([O-])c(CN[C@@H](CO)CC(F)(F)F)n1 ZINC000339794862 361980343 /nfs/dbraw/zinc/98/03/43/361980343.db2.gz MEEIHKHBXDRQNK-MRVPVSSYSA-N -1 3 264.247 1.499 10 0 CDAEHM CCOC(=O)c1cnc(NC(=O)c2cn[nH]c2C(C)C)[n-]1 ZINC000593900906 342853316 /nfs/dbraw/zinc/85/33/16/342853316.db2.gz JHAGXBPSUDUYEF-UHFFFAOYSA-N -1 3 291.311 1.685 10 0 CDAEHM CCOC(=O)c1cnc(NC(=O)c2c[nH]nc2C(C)C)[n-]1 ZINC000593900906 342853318 /nfs/dbraw/zinc/85/33/18/342853318.db2.gz JHAGXBPSUDUYEF-UHFFFAOYSA-N -1 3 291.311 1.685 10 0 CDAEHM CCOC(=O)c1c[n-]c(NC(=O)c2cn[nH]c2C(C)C)n1 ZINC000593900906 342853320 /nfs/dbraw/zinc/85/33/20/342853320.db2.gz JHAGXBPSUDUYEF-UHFFFAOYSA-N -1 3 291.311 1.685 10 0 CDAEHM CCOC(=O)c1c[n-]c(NC(=O)c2c[nH]nc2C(C)C)n1 ZINC000593900906 342853322 /nfs/dbraw/zinc/85/33/22/342853322.db2.gz JHAGXBPSUDUYEF-UHFFFAOYSA-N -1 3 291.311 1.685 10 0 CDAEHM O=C(NC1(CO)CC1)c1cc([O-])c2ccccc2c1 ZINC000336059412 539062925 /nfs/dbraw/zinc/06/29/25/539062925.db2.gz IVFIALHEOFZSKH-UHFFFAOYSA-N -1 3 257.289 1.800 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)[C@@H](C)c2cncnc2)[n-]1 ZINC000600774443 342248431 /nfs/dbraw/zinc/24/84/31/342248431.db2.gz IJJLPFZPKMBCAO-QMMMGPOBSA-N -1 3 289.295 1.119 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)[C@@H](C)c2cncnc2)c[n-]1 ZINC000600774443 342248432 /nfs/dbraw/zinc/24/84/32/342248432.db2.gz IJJLPFZPKMBCAO-QMMMGPOBSA-N -1 3 289.295 1.119 10 0 CDAEHM O=C(c1csc(=O)[n-]1)N1CCCCC[C@@H]1CCO ZINC000356797024 539106265 /nfs/dbraw/zinc/10/62/65/539106265.db2.gz DRGIDXGQAGQULL-SECBINFHSA-N -1 3 270.354 1.616 10 0 CDAEHM O=C(NCCN1CCC1)c1cc([O-])c2ccccc2c1 ZINC000355360224 539102745 /nfs/dbraw/zinc/10/27/45/539102745.db2.gz UPZZFVIOFHVFOV-UHFFFAOYSA-N -1 3 270.332 1.981 10 0 CDAEHM CC(=O)c1ccc([N-]C(=O)c2nnn(C(C)(C)C)n2)nc1 ZINC000622834276 342260176 /nfs/dbraw/zinc/26/01/76/342260176.db2.gz GVYPPGMZYGFPAK-UHFFFAOYSA-N -1 3 288.311 1.278 10 0 CDAEHM O=C1C[C@H](c2nc3cccnc3c(=O)[n-]2)CN1CC1CC1 ZINC000491855858 539120179 /nfs/dbraw/zinc/12/01/79/539120179.db2.gz YHSMTZMGFSRQCU-JTQLQIEISA-N -1 3 284.319 1.456 10 0 CDAEHM C[C@H](CO)[C@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000077839270 342333580 /nfs/dbraw/zinc/33/35/80/342333580.db2.gz PAHAJTDUVFQDRH-BDAKNGLRSA-N -1 3 270.304 1.347 10 0 CDAEHM CCOC(=O)c1c[n-]c(=NCCO[C@H]2CC2(F)F)s1 ZINC000596446346 343323566 /nfs/dbraw/zinc/32/35/66/343323566.db2.gz FCIDWZKTYSZSLL-QMMMGPOBSA-N -1 3 292.307 1.578 10 0 CDAEHM COc1ccc(C(=O)NCCO[C@H]2CC2(F)F)c([O-])c1 ZINC000618124917 342429802 /nfs/dbraw/zinc/42/98/02/342429802.db2.gz NMYAPXANHCPGHC-NSHDSACASA-N -1 3 287.262 1.555 10 0 CDAEHM CN(CC(=O)NC(C)(C)C)C(=O)c1c([O-])cccc1O ZINC000092103883 342410785 /nfs/dbraw/zinc/41/07/85/342410785.db2.gz PCIKIWMDYQCTQQ-UHFFFAOYSA-N -1 3 280.324 1.085 10 0 CDAEHM Cc1nn(C)c(C)c1CCNC(=O)c1c([O-])cccc1O ZINC000092108047 342411193 /nfs/dbraw/zinc/41/11/93/342411193.db2.gz PTYRVQGGBHHRCJ-UHFFFAOYSA-N -1 3 289.335 1.421 10 0 CDAEHM COC(=O)[C@](C)(CCF)NC(=O)c1cccc(OC)c1[O-] ZINC000598274397 343749872 /nfs/dbraw/zinc/74/98/72/343749872.db2.gz GFUOWELBNCFQLA-AWEZNQCLSA-N -1 3 299.298 1.422 10 0 CDAEHM CCn1nc(C(C)C)cc1C(=O)Nc1nnc(OC)[n-]1 ZINC000158928270 362273738 /nfs/dbraw/zinc/27/37/38/362273738.db2.gz IMUSUHXYPCLCEU-UHFFFAOYSA-N -1 3 278.316 1.405 10 0 CDAEHM CCn1nc(C(C)C)cc1C(=O)Nc1n[n-]c(OC)n1 ZINC000158928270 362273743 /nfs/dbraw/zinc/27/37/43/362273743.db2.gz IMUSUHXYPCLCEU-UHFFFAOYSA-N -1 3 278.316 1.405 10 0 CDAEHM CCn1nc(C(C)C)cc1C(=O)Nc1nc(OC)n[n-]1 ZINC000158928270 362273749 /nfs/dbraw/zinc/27/37/49/362273749.db2.gz IMUSUHXYPCLCEU-UHFFFAOYSA-N -1 3 278.316 1.405 10 0 CDAEHM Cc1sc(N2CCN3CCC[C@H]3C2)nc1C(=O)[O-] ZINC000252722881 344073967 /nfs/dbraw/zinc/07/39/67/344073967.db2.gz RYUGNVYWCCZMBL-VIFPVBQESA-N -1 3 267.354 1.434 10 0 CDAEHM COC(=O)[C@H](CCF)NC(=O)c1c(C)cccc1[O-] ZINC000600077824 344171940 /nfs/dbraw/zinc/17/19/40/344171940.db2.gz DGVUATRVEIEGQJ-VIFPVBQESA-N -1 3 269.272 1.332 10 0 CDAEHM Cc1cc(CS(=O)(=O)[N-][C@@H](C)c2c(C)noc2C)no1 ZINC000605004305 344957211 /nfs/dbraw/zinc/95/72/11/344957211.db2.gz IVRYMTXMPKQLAK-VIFPVBQESA-N -1 3 299.352 1.768 10 0 CDAEHM CCO[C@H]1C[C@H](NC(=O)c2c[n-]nc2-c2ccccn2)C1 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/nfs/dbraw/zinc/47/55/66/392475566.db2.gz YENIKAIKSRFRID-UHFFFAOYSA-N -1 3 281.293 1.234 10 0 CDAEHM COC[C@]1(C(=O)Nc2cccc(C(C)=O)c2[O-])CCOC1 ZINC000574326875 392571948 /nfs/dbraw/zinc/57/19/48/392571948.db2.gz UJZSVHNRXKGBIY-OAHLLOKOSA-N -1 3 293.319 1.586 10 0 CDAEHM Cn1cnc(CCCNC(=O)c2cc([O-])ccc2Cl)n1 ZINC000648985100 392548767 /nfs/dbraw/zinc/54/87/67/392548767.db2.gz HJXZKPOCJNEFHV-UHFFFAOYSA-N -1 3 294.742 1.537 10 0 CDAEHM Cc1cccc(C(=O)N2CCN(CC(F)F)CC2)c1[O-] ZINC000130300153 392890821 /nfs/dbraw/zinc/89/08/21/392890821.db2.gz NLCVEBHJYNCUBQ-UHFFFAOYSA-N -1 3 284.306 1.724 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2ccc(Cl)o2)nc1=N ZINC000521885621 393087761 /nfs/dbraw/zinc/08/77/61/393087761.db2.gz VJTFHRNZMBIBAE-ZETCQYMHSA-N -1 3 295.730 1.451 10 0 CDAEHM Cc1nccn1C[C@H](C)CNC(=O)c1ncc(C)cc1[O-] ZINC000495136638 393185264 /nfs/dbraw/zinc/18/52/64/393185264.db2.gz IVCBGTYLYMDCNH-LLVKDONJSA-N -1 3 288.351 1.667 10 0 CDAEHM C[C@@H]1C[C@H](C)[C@H](C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)O1 ZINC000548821962 393384042 /nfs/dbraw/zinc/38/40/42/393384042.db2.gz MATZNRRMLLOWPT-IZWKTGJZSA-N -1 3 279.340 1.435 10 0 CDAEHM CCc1cccc(C(=O)N2CCN(CCO)[C@H](C)C2)c1[O-] ZINC000548652586 393344419 /nfs/dbraw/zinc/34/44/19/393344419.db2.gz YSSUSKILCYKSOJ-GFCCVEGCSA-N -1 3 292.379 1.093 10 0 CDAEHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)Cc1cc(C)on1 ZINC000452060107 393438049 /nfs/dbraw/zinc/43/80/49/393438049.db2.gz LOXLZVPVFYQLTE-VXGBXAGGSA-N -1 3 288.369 1.360 10 0 CDAEHM CC[C@@H]1CN(C(=O)N=c2cc(OC)n(C)[n-]2)[C@@H](CC)CO1 ZINC000650134157 397735238 /nfs/dbraw/zinc/73/52/38/397735238.db2.gz MCGYNZYWNGTMBW-WDEREUQCSA-N -1 3 296.371 1.272 10 0 CDAEHM [O-]c1cc(CN2C[C@@H](O)[C@H](CO)C2)cc(C(F)(F)F)c1 ZINC000459717991 397712128 /nfs/dbraw/zinc/71/21/28/397712128.db2.gz XGKQYDIJLGYSIV-JOYOIKCWSA-N -1 3 291.269 1.196 10 0 CDAEHM Cc1nc(C)c(CC(=O)NCCOCC2CCC2)c(=O)[n-]1 ZINC000558651161 397930570 /nfs/dbraw/zinc/93/05/70/397930570.db2.gz IZYNAOKSHJACOZ-UHFFFAOYSA-N -1 3 293.367 1.274 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)CCc2ccccn2)n[n-]1 ZINC000119731004 147327132 /nfs/dbraw/zinc/32/71/32/147327132.db2.gz DQICSBJSIWUKPS-UHFFFAOYSA-N -1 3 296.334 1.777 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)CCc2ccccn2)[n-]n1 ZINC000119731004 147327137 /nfs/dbraw/zinc/32/71/37/147327137.db2.gz DQICSBJSIWUKPS-UHFFFAOYSA-N -1 3 296.334 1.777 10 0 CDAEHM Cc1nc(C)c(CC(=O)NC[C@@H](C)C(C)C)c(=O)[n-]1 ZINC000352396553 155158417 /nfs/dbraw/zinc/15/84/17/155158417.db2.gz CNFKKZCDWIHLSM-SECBINFHSA-N -1 3 265.357 1.750 10 0 CDAEHM C[C@@H]1COC2(CCC2)CN1c1nc2nncc-2c(O)[n-]1 ZINC000664279412 413226250 /nfs/dbraw/zinc/22/62/50/413226250.db2.gz UASIUQVBGVTBRG-MRVPVSSYSA-N -1 3 275.312 1.206 10 0 CDAEHM CN(C)[C@@H](C(=O)NCc1ncccc1[O-])c1ccccc1 ZINC000352510580 155237929 /nfs/dbraw/zinc/23/79/29/155237929.db2.gz UEDSWQDPBRPMRG-OAHLLOKOSA-N -1 3 285.347 1.706 10 0 CDAEHM Cc1nc2ccccc2n1CC(=O)NCc1ncccc1[O-] ZINC000352511140 155239834 /nfs/dbraw/zinc/23/98/34/155239834.db2.gz WMFYKLUQJAVBCL-UHFFFAOYSA-N -1 3 296.330 1.762 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1ccc(-n2cccn2)cc1 ZINC000352515667 155241239 /nfs/dbraw/zinc/24/12/39/155241239.db2.gz HMUXPGJDRFGONC-UHFFFAOYSA-N -1 3 294.314 1.903 10 0 CDAEHM O=S(=O)(Cc1ccccc1)[N-][C@H]1CNCCC1(F)F ZINC000334966098 150128860 /nfs/dbraw/zinc/12/88/60/150128860.db2.gz FJZLVHXQXXBYBP-NSHDSACASA-N -1 3 290.335 1.103 10 0 CDAEHM CCC(CC)CS(=O)(=O)[N-]C[C@H](O)C(F)(F)F ZINC000352574694 155280142 /nfs/dbraw/zinc/28/01/42/155280142.db2.gz IXWXPCHTPQUZKP-QMMMGPOBSA-N -1 3 277.308 1.265 10 0 CDAEHM CCc1ccc(C(=O)N2CCN3CCC2CC3)c([O-])c1 ZINC000335911468 151105698 /nfs/dbraw/zinc/10/56/98/151105698.db2.gz NYLXCOBNBRBFGQ-UHFFFAOYSA-N -1 3 274.364 1.875 10 0 CDAEHM CN(C)C(=O)C1(C(=O)Nc2ccc(Cl)cc2[O-])CC1 ZINC000336151806 151315172 /nfs/dbraw/zinc/31/51/72/151315172.db2.gz PWTSJNAHGPBBTA-UHFFFAOYSA-N -1 3 282.727 1.853 10 0 CDAEHM O=C(NC1CC1)N[C@@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000336448588 151544196 /nfs/dbraw/zinc/54/41/96/151544196.db2.gz FJIMFIFRJCFGGG-GFCCVEGCSA-N -1 3 289.335 1.068 10 0 CDAEHM COc1nc(NC(=O)c2cnc([C@@H]3CCCO3)s2)n[n-]1 ZINC000352648465 155323287 /nfs/dbraw/zinc/32/32/87/155323287.db2.gz ULVJNANRTLQHDP-LURJTMIESA-N -1 3 295.324 1.374 10 0 CDAEHM CC(C)CCS(=O)(=O)[N-]Cc1noc(C2CC2)n1 ZINC000343116848 152038584 /nfs/dbraw/zinc/03/85/84/152038584.db2.gz IWXPJXIQQHONIO-UHFFFAOYSA-N -1 3 273.358 1.413 10 0 CDAEHM O=C(Nc1ncccc1[O-])c1cnc2cnccc2c1 ZINC000343666410 152260595 /nfs/dbraw/zinc/26/05/95/152260595.db2.gz DOPKRSSZZOMPGZ-UHFFFAOYSA-N -1 3 266.260 1.983 10 0 CDAEHM COc1cc(C(=O)N[C@@H]2CC[C@H]2C)cc(OC)c1[O-] ZINC000343991837 152381721 /nfs/dbraw/zinc/38/17/21/152381721.db2.gz TXOUCWVFACTGJQ-PSASIEDQSA-N -1 3 265.309 1.938 10 0 CDAEHM NC(=O)c1ccc(NC(=O)c2cc([O-])ccc2Cl)cn1 ZINC000346842645 153322498 /nfs/dbraw/zinc/32/24/98/153322498.db2.gz IJODESRTEVKKMF-UHFFFAOYSA-N -1 3 291.694 1.792 10 0 CDAEHM CCOC(=O)CC[C@@H](C)NC(=O)NCc1ncccc1[O-] ZINC000349783220 154215929 /nfs/dbraw/zinc/21/59/29/154215929.db2.gz ZIEAATUXHPJHFX-SNVBAGLBSA-N -1 3 295.339 1.318 10 0 CDAEHM COC1(CNC(=O)NCc2ncccc2[O-])CCCCC1 ZINC000349920653 154272175 /nfs/dbraw/zinc/27/21/75/154272175.db2.gz KYPOGQVZOSYBNJ-UHFFFAOYSA-N -1 3 293.367 1.936 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCc2n[nH]c(=O)cc2C1 ZINC000358992526 158093168 /nfs/dbraw/zinc/09/31/68/158093168.db2.gz QTVIZWOMRLYSGA-UHFFFAOYSA-N -1 3 271.276 1.086 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)c2cncc(F)c2)c1 ZINC000359204630 158162331 /nfs/dbraw/zinc/16/23/31/158162331.db2.gz RYNFMMWFSYLEJM-VIFPVBQESA-N -1 3 298.343 1.477 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]c2ccc(C)[nH]c2=O)c1 ZINC000359648939 158323410 /nfs/dbraw/zinc/32/34/10/158323410.db2.gz XKXWJGZURNLBFY-UHFFFAOYSA-N -1 3 282.325 1.113 10 0 CDAEHM CCc1cc(C(=O)NCc2ccn(C)n2)ccc1[O-] ZINC000363000512 159287470 /nfs/dbraw/zinc/28/74/70/159287470.db2.gz GRVLXINQMHEYDW-UHFFFAOYSA-N -1 3 259.309 1.618 10 0 CDAEHM Cn1ccnc1CNC[C@H](C(=O)[O-])c1ccccc1 ZINC000080959525 1172999885 /nfs/dbraw/zinc/99/98/85/1172999885.db2.gz PVNOMECEVDUSDB-LBPRGKRZSA-N -1 3 259.309 1.378 10 0 CDAEHM CN(C)CCNc1nnc(-c2ccccc2)c(=O)[n-]1 ZINC000005526113 170108491 /nfs/dbraw/zinc/10/84/91/170108491.db2.gz FPJKYFJHCPQQHK-UHFFFAOYSA-N -1 3 259.313 1.218 10 0 CDAEHM CC(C)N(C(=O)CSC[C@H](N)C(=O)[O-])c1ccccc1 ZINC000005760323 170138067 /nfs/dbraw/zinc/13/80/67/170138067.db2.gz CJNUSLLGQGPPDT-LBPRGKRZSA-N -1 3 296.392 1.573 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CC[C@]2(CC2(F)F)C1 ZINC000655406974 412183762 /nfs/dbraw/zinc/18/37/62/412183762.db2.gz BNCCTCRHJMSQAJ-LBPRGKRZSA-N -1 3 268.263 1.587 10 0 CDAEHM C[C@@H](NC(=O)CNCCC(=O)[O-])c1ccc(F)cc1 ZINC000035386004 172168107 /nfs/dbraw/zinc/16/81/07/172168107.db2.gz CHIUUGLNWSNHJG-SECBINFHSA-N -1 3 268.288 1.067 10 0 CDAEHM Cc1cccn2cc(CN[C@H](C(=O)[O-])C(C)C)nc12 ZINC000035406613 172177796 /nfs/dbraw/zinc/17/77/96/172177796.db2.gz NFBCQHUIYBHUSD-LBPRGKRZSA-N -1 3 261.325 1.842 10 0 CDAEHM Cc1ccc(C)c(NC(=O)CNCCCC(=O)[O-])c1 ZINC000035422642 172190793 /nfs/dbraw/zinc/19/07/93/172190793.db2.gz JSMWHDLYLJDETN-UHFFFAOYSA-N -1 3 264.325 1.696 10 0 CDAEHM CCc1cc(=O)[n-]c(CN(C)[C@H]2C[C@@H](OC)C2)n1 ZINC000285377274 196266400 /nfs/dbraw/zinc/26/64/00/196266400.db2.gz MXQPBQRJVBJLFH-PHIMTYICSA-N -1 3 251.330 1.354 10 0 CDAEHM COC[C@@H](CN1CCc2ccc(C(=O)[O-])cc2C1)OC ZINC000656757287 413637271 /nfs/dbraw/zinc/63/72/71/413637271.db2.gz SDUJYTKIKNHZRS-CQSZACIVSA-N -1 3 279.336 1.404 10 0 CDAEHM C[C@@H]1CCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1F ZINC000654986345 413874865 /nfs/dbraw/zinc/87/48/65/413874865.db2.gz FAARFMBBWMUMLW-SCZZXKLOSA-N -1 3 279.315 1.880 10 0 CDAEHM C[C@@H](CNC(=O)[C@@H](C(=O)[O-])C1CC1)N1CCC[C@@H](C)C1 ZINC000663113465 413950106 /nfs/dbraw/zinc/95/01/06/413950106.db2.gz IQOKFHLESCLTPS-MDZLAQPJSA-N -1 3 282.384 1.334 10 0 CDAEHM Cc1ccc2nc(CNCC3(C(=O)[O-])CCC3)cn2c1 ZINC000665353337 414093755 /nfs/dbraw/zinc/09/37/55/414093755.db2.gz AXAHVQDWNJGOIA-UHFFFAOYSA-N -1 3 273.336 1.987 10 0 CDAEHM CCC[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000040469725 174278297 /nfs/dbraw/zinc/27/82/97/174278297.db2.gz 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Cc1n[nH]c(C)c1S(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000808346890 729002337 /nfs/dbraw/zinc/00/23/37/729002337.db2.gz SKWPNSSNGFNKLE-UHFFFAOYSA-N -1 3 293.339 1.883 10 0 CDAEHM COC(=O)c1cc(C(=O)O[C@H](C(C)=O)C(C)C)c[n-]1 ZINC000829212452 729003228 /nfs/dbraw/zinc/00/32/28/729003228.db2.gz UCOQMYVGPKEASR-NSHDSACASA-N -1 3 267.281 1.572 10 0 CDAEHM C[C@@H]1CCN(C(=O)c2cc3c(cc2[O-])OCO3)C[C@@H]1F ZINC000778470046 729087057 /nfs/dbraw/zinc/08/70/57/729087057.db2.gz OVIYOXIZARJSEB-SCZZXKLOSA-N -1 3 281.283 1.941 10 0 CDAEHM C[C@@H](NCc1nnnn1CC1CC1)c1cc([O-])cc(F)c1 ZINC000926198237 729145239 /nfs/dbraw/zinc/14/52/39/729145239.db2.gz JYOSSYVCHXKCAK-SECBINFHSA-N -1 3 291.330 1.779 10 0 CDAEHM C[C@H]1CN(Cc2cccc(Cl)c2[O-])CCN1CCO ZINC000190248624 729182707 /nfs/dbraw/zinc/18/27/07/729182707.db2.gz QPEHERRCJDHJFL-NSHDSACASA-N -1 3 284.787 1.544 10 0 CDAEHM O=c1[n-]c(CNc2nc(Cl)cs2)nc2c1COCC2 ZINC000866289028 1164761532 /nfs/dbraw/zinc/76/15/32/1164761532.db2.gz SROACUBLJVZHJB-UHFFFAOYSA-N -1 3 298.755 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295.383 1.211 10 0 CDAEHM COc1ccc(C(=O)N[C@H]2CCCC[C@H]2O)c([O-])c1 ZINC000051990392 363069509 /nfs/dbraw/zinc/06/95/09/363069509.db2.gz NTKVASMEDDGDFE-NWDGAFQWSA-N -1 3 265.309 1.434 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)CCCO)o1 ZINC000451686429 363070309 /nfs/dbraw/zinc/07/03/09/363070309.db2.gz PILKHZZMNQNHJQ-VIFPVBQESA-N -1 3 261.343 1.275 10 0 CDAEHM COc1cccc(C(=O)N[C@H]2CCCC[C@H]2O)c1[O-] ZINC000051990600 363070754 /nfs/dbraw/zinc/07/07/54/363070754.db2.gz BDJGYLMWNGLGCO-WDEREUQCSA-N -1 3 265.309 1.434 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)cs1)[C@@H](O)C(F)F ZINC000451702195 363077936 /nfs/dbraw/zinc/07/79/36/363077936.db2.gz BZJWKGIAJFEPMZ-VXNVDRBHSA-N -1 3 299.364 1.739 10 0 CDAEHM CCOC(=O)C[C@@H](C)C[N-]S(=O)(=O)c1cscn1 ZINC000569807733 363087634 /nfs/dbraw/zinc/08/76/34/363087634.db2.gz SEUKNXMRRAWFSC-MRVPVSSYSA-N -1 3 292.382 1.011 10 0 CDAEHM COc1c(O)cccc1CNCc1ncccc1[O-] ZINC000355319440 366065798 /nfs/dbraw/zinc/06/57/98/366065798.db2.gz ROPOBLPNWRXCLE-UHFFFAOYSA-N 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CXYYNXRGQFFIOS-UHFFFAOYSA-N -1 3 276.296 1.393 10 0 CDAEHM COc1nnc(NC(=O)Cc2ccc(OC)c(F)c2)[n-]1 ZINC000158206131 188363449 /nfs/dbraw/zinc/36/34/49/188363449.db2.gz YOYMPBSYNJGCRO-UHFFFAOYSA-N -1 3 280.259 1.142 10 0 CDAEHM COc1nc(NC(=O)Cc2ccc(OC)c(F)c2)n[n-]1 ZINC000158206131 188363451 /nfs/dbraw/zinc/36/34/51/188363451.db2.gz YOYMPBSYNJGCRO-UHFFFAOYSA-N -1 3 280.259 1.142 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2ccc(OC)c(F)c2)n1 ZINC000158206131 188363452 /nfs/dbraw/zinc/36/34/52/188363452.db2.gz YOYMPBSYNJGCRO-UHFFFAOYSA-N -1 3 280.259 1.142 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)[C@H](C)CO ZINC000158808046 188394964 /nfs/dbraw/zinc/39/49/64/188394964.db2.gz SLHFECAJDHMGMC-HTQZYQBOSA-N -1 3 279.308 1.260 10 0 CDAEHM CCn1nccc1S(=O)(=O)[N-]C(C)(C)C(F)(F)F ZINC000295194339 199399496 /nfs/dbraw/zinc/39/94/96/199399496.db2.gz LSZGQSJJAZHXDP-UHFFFAOYSA-N -1 3 285.291 1.522 10 0 CDAEHM C[C@@H]1C[C@H](CO)CCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000629673300 363341218 /nfs/dbraw/zinc/34/12/18/363341218.db2.gz CXILWTFVHJWHIQ-ZYHUDNBSSA-N -1 3 281.327 1.693 10 0 CDAEHM CCCNc1ccccc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000276827275 366171773 /nfs/dbraw/zinc/17/17/73/366171773.db2.gz OCOVFQLEVWJBAQ-NSHDSACASA-N -1 3 290.323 1.045 10 0 CDAEHM C[C@]12CCCC[C@H]1CN2C(=O)C(=O)[N-]c1cnns1 ZINC000628034278 356396646 /nfs/dbraw/zinc/39/66/46/356396646.db2.gz OQBAJJPOHNWILR-UFBFGSQYSA-N -1 3 280.353 1.268 10 0 CDAEHM C[C@@H]1CN(C(=O)c2csc(=O)[n-]2)C2(CCC2)CO1 ZINC000652881030 482756106 /nfs/dbraw/zinc/75/61/06/482756106.db2.gz NYBXUHQTWPWAJO-MRVPVSSYSA-N -1 3 268.338 1.632 10 0 CDAEHM CC(C)(C)OC(=O)c1nn[n-]c1-c1cscn1 ZINC000725266308 538456825 /nfs/dbraw/zinc/45/68/25/538456825.db2.gz GFPNNHJFASMNIQ-UHFFFAOYSA-N -1 3 252.299 1.884 10 0 CDAEHM CC(C)(C)OC(=O)c1[n-]nnc1-c1cscn1 ZINC000725266308 538456827 /nfs/dbraw/zinc/45/68/27/538456827.db2.gz GFPNNHJFASMNIQ-UHFFFAOYSA-N -1 3 252.299 1.884 10 0 CDAEHM CC(C)(C)OC(=O)c1n[n-]nc1-c1cscn1 ZINC000725266308 538456830 /nfs/dbraw/zinc/45/68/30/538456830.db2.gz GFPNNHJFASMNIQ-UHFFFAOYSA-N -1 3 252.299 1.884 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000336444436 363568714 /nfs/dbraw/zinc/56/87/14/363568714.db2.gz LFSLVIJYWSYPLG-GXTWGEPZSA-N -1 3 288.347 1.523 10 0 CDAEHM CCc1cccc(C(=O)N[C@@H]2CCCN(C)C2)c1[O-] ZINC000081754884 538783498 /nfs/dbraw/zinc/78/34/98/538783498.db2.gz MBJMYXLVOQXPMA-GFCCVEGCSA-N -1 3 262.353 1.779 10 0 CDAEHM CSc1cc(Cc2nc3cccnc3c(=O)[n-]2)ncn1 ZINC000446139352 538807963 /nfs/dbraw/zinc/80/79/63/538807963.db2.gz QESNCPXAUCMQTO-UHFFFAOYSA-N -1 3 285.332 1.833 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000407996295 357735730 /nfs/dbraw/zinc/73/57/30/357735730.db2.gz KQDPTLBKLOEFHE-TXEJJXNPSA-N -1 3 290.319 1.354 10 0 CDAEHM CC(C)(C)OCCNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000558628927 357839975 /nfs/dbraw/zinc/83/99/75/357839975.db2.gz HVTSVNXGKYSMNG-UHFFFAOYSA-N -1 3 280.303 1.642 10 0 CDAEHM CC(C)(C)OCCNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000558628927 357839977 /nfs/dbraw/zinc/83/99/77/357839977.db2.gz HVTSVNXGKYSMNG-UHFFFAOYSA-N -1 3 280.303 1.642 10 0 CDAEHM CC(C)(C)OCCNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000558628927 357839979 /nfs/dbraw/zinc/83/99/79/357839979.db2.gz HVTSVNXGKYSMNG-UHFFFAOYSA-N -1 3 280.303 1.642 10 0 CDAEHM O=C(Cc1cnc2ccccc2c1)[N-]OC[C@@H]1CCOC1 ZINC000188304521 357876125 /nfs/dbraw/zinc/87/61/25/357876125.db2.gz PGPFCPCIEUONDS-GFCCVEGCSA-N -1 3 286.331 1.862 10 0 CDAEHM C/C=C/C[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000625557233 357885093 /nfs/dbraw/zinc/88/50/93/357885093.db2.gz NHLLYUGJROWBLX-AATRIKPKSA-N -1 3 286.353 1.144 10 0 CDAEHM CO[C@@H]1CN([C@H](C)C(=O)[N-]c2cc(C)no2)CC[C@@H]1C ZINC000189312198 357995095 /nfs/dbraw/zinc/99/50/95/357995095.db2.gz DDPQDBMPBGNTMB-MVWJERBFSA-N -1 3 281.356 1.667 10 0 CDAEHM O=S(=O)(CC(F)(F)F)[N-][C@H]1CCN2CCCC[C@H]12 ZINC000335892103 358004621 /nfs/dbraw/zinc/00/46/21/358004621.db2.gz RGFUBWDWNDCQAX-DTWKUNHWSA-N -1 3 286.319 1.095 10 0 CDAEHM Cc1cc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)c(C)o1 ZINC000559249319 358238868 /nfs/dbraw/zinc/23/88/68/358238868.db2.gz NWZJTTDAUKRQMC-NSHDSACASA-N -1 3 289.339 1.415 10 0 CDAEHM CN(CCCCO)C(=O)c1cc([O-])ccc1Cl ZINC000294799067 199188535 /nfs/dbraw/zinc/18/85/35/199188535.db2.gz DDWVEQNQQQOWJN-UHFFFAOYSA-N -1 3 257.717 1.890 10 0 CDAEHM COc1ccc([O-])c(C(=O)NC[C@@H](O)C(C)(C)C)c1 ZINC000133260767 358607156 /nfs/dbraw/zinc/60/71/56/358607156.db2.gz XXJOUTHJTXBWMV-GFCCVEGCSA-N -1 3 267.325 1.538 10 0 CDAEHM CC(C)(C)OC(=O)[C@@H](C(=O)[O-])[C@H](N)c1cccs1 ZINC000098087826 358812275 /nfs/dbraw/zinc/81/22/75/358812275.db2.gz IRIMDUUDRBJWIS-RKDXNWHRSA-N -1 3 271.338 1.790 10 0 CDAEHM CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(C)cc1[O-] ZINC000042396911 358943010 /nfs/dbraw/zinc/94/30/10/358943010.db2.gz GNBOHGCWBMDNEP-NSHDSACASA-N -1 3 262.309 1.051 10 0 CDAEHM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cccc([O-])c1 ZINC000042439078 358945005 /nfs/dbraw/zinc/94/50/05/358945005.db2.gz BOCILVSGGMOAGN-MWLCHTKSSA-N -1 3 262.309 1.118 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(C(F)(F)F)nc2)[n-]1 ZINC000158185557 237125762 /nfs/dbraw/zinc/12/57/62/237125762.db2.gz ALTYQTXRJAMEEN-UHFFFAOYSA-N -1 3 287.201 1.479 10 0 CDAEHM COc1nc(NC(=O)c2ccc(C(F)(F)F)nc2)n[n-]1 ZINC000158185557 237125771 /nfs/dbraw/zinc/12/57/71/237125771.db2.gz ALTYQTXRJAMEEN-UHFFFAOYSA-N -1 3 287.201 1.479 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(C(F)(F)F)nc2)n1 ZINC000158185557 237125787 /nfs/dbraw/zinc/12/57/87/237125787.db2.gz ALTYQTXRJAMEEN-UHFFFAOYSA-N -1 3 287.201 1.479 10 0 CDAEHM Cn1cnc(S(=O)(=O)[N-]CCCC(C)(F)F)c1 ZINC000297235888 200121770 /nfs/dbraw/zinc/12/17/70/200121770.db2.gz WWZORJQKTGWHGQ-UHFFFAOYSA-N -1 3 267.301 1.134 10 0 CDAEHM COC(=O)c1ccc(F)c([N-]C(=O)c2nccc(C)n2)c1 ZINC000347986025 359750918 /nfs/dbraw/zinc/75/09/18/359750918.db2.gz JNHGHNYPFOPRAJ-UHFFFAOYSA-N -1 3 289.266 1.963 10 0 CDAEHM C[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000408410363 359748254 /nfs/dbraw/zinc/74/82/54/359748254.db2.gz OWXQEFQVFJSOTO-MWLCHTKSSA-N -1 3 291.347 1.701 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000628138310 359764637 /nfs/dbraw/zinc/76/46/37/359764637.db2.gz FKNYGPAFJUXFII-NEPJUHHUSA-N -1 3 261.321 1.809 10 0 CDAEHM Cc1ccc(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)s1 ZINC000297614039 200242450 /nfs/dbraw/zinc/24/24/50/200242450.db2.gz AMHWANHJRWCRRV-UHFFFAOYSA-N -1 3 291.336 1.319 10 0 CDAEHM Cc1ccc(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)s1 ZINC000297614039 200242452 /nfs/dbraw/zinc/24/24/52/200242452.db2.gz AMHWANHJRWCRRV-UHFFFAOYSA-N -1 3 291.336 1.319 10 0 CDAEHM Cc1ccc(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)s1 ZINC000297614039 200242454 /nfs/dbraw/zinc/24/24/54/200242454.db2.gz AMHWANHJRWCRRV-UHFFFAOYSA-N -1 3 291.336 1.319 10 0 CDAEHM CCc1nn(C)c(CC)c1CNCc1ncccc1[O-] ZINC000348136465 359848140 /nfs/dbraw/zinc/84/81/40/359848140.db2.gz NQMHKLPWWKEYQO-UHFFFAOYSA-N -1 3 274.368 1.935 10 0 CDAEHM C[C@H](c1noc(CN2CC(=O)[N-]C2=O)n1)C(C)(C)C ZINC000356877550 366606061 /nfs/dbraw/zinc/60/60/61/366606061.db2.gz HPOAQMKWNFXYRP-SSDOTTSWSA-N -1 3 266.301 1.271 10 0 CDAEHM Cc1cc(C)n(CC(=O)Nc2cc(-c3nccn3C)[n-]n2)n1 ZINC000119763427 359951966 /nfs/dbraw/zinc/95/19/66/359951966.db2.gz BTUJMLSVOLGAFM-UHFFFAOYSA-N -1 3 299.338 1.262 10 0 CDAEHM Cc1cc(C)n(CC(=O)Nc2cc(-c3nccn3C)n[n-]2)n1 ZINC000119763427 359951968 /nfs/dbraw/zinc/95/19/68/359951968.db2.gz BTUJMLSVOLGAFM-UHFFFAOYSA-N -1 3 299.338 1.262 10 0 CDAEHM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632302532 360041097 /nfs/dbraw/zinc/04/10/97/360041097.db2.gz JPXJLLSFHRQTFM-JGVFFNPUSA-N -1 3 276.383 1.563 10 0 CDAEHM C[C@H]1C[C@H](C)CN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000408242650 359994093 /nfs/dbraw/zinc/99/40/93/359994093.db2.gz WRJRUMFCMOEINJ-UWVGGRQHSA-N -1 3 278.356 1.366 10 0 CDAEHM Cn1cc(OCC(=O)Nc2ccc(Cl)cc2[O-])cn1 ZINC000337484850 360153749 /nfs/dbraw/zinc/15/37/49/360153749.db2.gz YNDVYDKYNNCXPZ-UHFFFAOYSA-N -1 3 281.699 1.797 10 0 CDAEHM COCc1ccccc1[N-]S(=O)(=O)C[C@@H](OC)C1CC1 ZINC000514726416 360364713 /nfs/dbraw/zinc/36/47/13/360364713.db2.gz RLYJCROSZXQPII-CQSZACIVSA-N -1 3 299.392 2.000 10 0 CDAEHM O=C(Nc1ccc2c(c1)CCC2)C1CC2(C1)NC(=O)[N-]C2=O ZINC000154673410 360377237 /nfs/dbraw/zinc/37/72/37/360377237.db2.gz SLLCMRVGJDTNBS-UHFFFAOYSA-N -1 3 299.330 1.102 10 0 CDAEHM CC[C@H](C)CC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000515093329 360438209 /nfs/dbraw/zinc/43/82/09/360438209.db2.gz HZUZZFZMSDKYMN-VHSXEESVSA-N -1 3 265.361 1.327 10 0 CDAEHM COc1ccc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cn1 ZINC000338125048 360689291 /nfs/dbraw/zinc/68/92/91/360689291.db2.gz VZIUNLYFNRWSAP-UHFFFAOYSA-N -1 3 295.302 1.550 10 0 CDAEHM CC(C)[C@@H]1CCN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000408400251 360809396 /nfs/dbraw/zinc/80/93/96/360809396.db2.gz QEMGNTRRNNQEHK-JTQLQIEISA-N -1 3 264.329 1.119 10 0 CDAEHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccn1)C1CC1 ZINC000660043948 412708542 /nfs/dbraw/zinc/70/85/42/412708542.db2.gz MZOBMLBVNJAGQF-LBPRGKRZSA-N -1 3 254.355 1.795 10 0 CDAEHM O=C(NCCc1cn[nH]c1)c1c[n-]nc1-c1ccccn1 ZINC000356997770 366684183 /nfs/dbraw/zinc/68/41/83/366684183.db2.gz WTSNKSZGIMDDQF-UHFFFAOYSA-N -1 3 282.307 1.167 10 0 CDAEHM Cn1cnc(S(=O)(=O)[N-]C(C)(C2CC2)C2CC2)c1 ZINC000660045225 412711606 /nfs/dbraw/zinc/71/16/06/412711606.db2.gz TVMWJNXBMMJIAV-UHFFFAOYSA-N -1 3 269.370 1.277 10 0 CDAEHM CN(C)c1nc(C(=O)NC[C@H]2CCCCS2)cc(=O)[n-]1 ZINC000338801358 361043405 /nfs/dbraw/zinc/04/34/05/361043405.db2.gz SBQQOUUUIHLZRV-SECBINFHSA-N -1 3 296.396 1.264 10 0 CDAEHM CN(C)c1nc(C(=O)NCCCC(F)(F)F)cc(=O)[n-]1 ZINC000338833553 361066882 /nfs/dbraw/zinc/06/68/82/361066882.db2.gz OUZNMXUMCYNIGM-UHFFFAOYSA-N -1 3 292.261 1.321 10 0 CDAEHM CC(C)=CCCNC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000338880186 361094143 /nfs/dbraw/zinc/09/41/43/361094143.db2.gz KHMDWZQZIBRMST-UHFFFAOYSA-N -1 3 264.329 1.334 10 0 CDAEHM C[C@@H]1CCCC[C@@H]1CN=c1[n-]c(C(N)=O)cs1 ZINC000432318584 361142623 /nfs/dbraw/zinc/14/26/23/361142623.db2.gz SOSFXZFSYAUFEJ-RKDXNWHRSA-N -1 3 253.371 1.902 10 0 CDAEHM NC(=O)c1csc(=NCCCOC2CCCCC2)[n-]1 ZINC000432337374 361147287 /nfs/dbraw/zinc/14/72/87/361147287.db2.gz SSSBANKNQYZSGC-UHFFFAOYSA-N -1 3 283.397 1.815 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1[O-] ZINC000408466787 361188638 /nfs/dbraw/zinc/18/86/38/361188638.db2.gz MCYSEBRAIZQWFG-ZDUSSCGKSA-N -1 3 288.347 1.515 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)CCC[C@H]1CCOC1)C(F)F ZINC000645740232 361198952 /nfs/dbraw/zinc/19/89/52/361198952.db2.gz BKQBUZYCSNRWRN-UWVGGRQHSA-N -1 3 285.356 1.766 10 0 CDAEHM C[C@H](F)CC[N-]S(=O)(=O)c1cc(Cl)cnc1N ZINC000339034379 361228081 /nfs/dbraw/zinc/22/80/81/361228081.db2.gz KKXFNJBTCFRCKE-LURJTMIESA-N -1 3 281.740 1.344 10 0 CDAEHM O=C(N[C@@H]1COCCC1=O)c1cc([O-])ccc1Cl ZINC000628874514 361237251 /nfs/dbraw/zinc/23/72/51/361237251.db2.gz ILQCBMZGUCHGII-SNVBAGLBSA-N -1 3 269.684 1.133 10 0 CDAEHM Cc1c([C@@H](C)NC(=O)c2cccc([O-])c2)cnn1C ZINC000181942808 189310291 /nfs/dbraw/zinc/31/02/91/189310291.db2.gz HAXAEYFKQAYESA-SECBINFHSA-N -1 3 259.309 1.925 10 0 CDAEHM O=C(CCNC(=O)c1cccc([O-])c1)N1CCCCCC1 ZINC000182265446 189318486 /nfs/dbraw/zinc/31/84/86/189318486.db2.gz LBBUEHMRHXABIB-UHFFFAOYSA-N -1 3 290.363 1.915 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2CCO[C@H](CCF)C2)cs1 ZINC000629014156 361402673 /nfs/dbraw/zinc/40/26/73/361402673.db2.gz XVFVPSHTIQAOED-SECBINFHSA-N -1 3 287.360 1.197 10 0 CDAEHM CC[C@H](C)[C@@H](OC)C(=O)NCc1ncccc1[O-] ZINC000357156907 366797717 /nfs/dbraw/zinc/79/77/17/366797717.db2.gz SDZURLVLPFHCGU-JOYOIKCWSA-N -1 3 252.314 1.465 10 0 CDAEHM C[C@@]1(C(=O)NCc2ccc([O-])c(F)c2)CCCO1 ZINC000133645073 361418281 /nfs/dbraw/zinc/41/82/81/361418281.db2.gz LLNINXLZKWIWJX-ZDUSSCGKSA-N -1 3 253.273 1.717 10 0 CDAEHM CC(C)c1ccc(C(=O)N(C)Cc2nnnn2C)c([O-])c1 ZINC000436589966 361537721 /nfs/dbraw/zinc/53/77/21/361537721.db2.gz XHFGSYJTTLGWIL-UHFFFAOYSA-N -1 3 289.339 1.311 10 0 CDAEHM O=C(NCCNc1ccncc1)c1c([O-])cccc1F ZINC000436605540 361539899 /nfs/dbraw/zinc/53/98/99/361539899.db2.gz PWWOEMJKCGZGEM-UHFFFAOYSA-N -1 3 275.283 1.190 10 0 CDAEHM COc1cccc(C(=O)N[C@@H](CCO)CSC)c1[O-] ZINC000436900442 361602928 /nfs/dbraw/zinc/60/29/28/361602928.db2.gz IHTUVANUOZYMMO-VIFPVBQESA-N -1 3 285.365 1.245 10 0 CDAEHM CN(C)C(=O)CN(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184916616 189398559 /nfs/dbraw/zinc/39/85/59/189398559.db2.gz OFPVPWWGXCAOJD-UHFFFAOYSA-N -1 3 290.363 1.431 10 0 CDAEHM C[C@]1(C(=O)NCc2ccc([O-])c(F)c2)CCC(=O)NC1 ZINC000282887152 239122846 /nfs/dbraw/zinc/12/28/46/239122846.db2.gz VWYXGKYERUMABM-AWEZNQCLSA-N -1 3 280.299 1.064 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H](C)CC(F)F)c1 ZINC000645795616 361705949 /nfs/dbraw/zinc/70/59/49/361705949.db2.gz GVZINRLOHNEQAY-QMMMGPOBSA-N -1 3 281.328 1.473 10 0 CDAEHM CC(C)c1ccc(C(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)c([O-])c1 ZINC000629209049 361718580 /nfs/dbraw/zinc/71/85/80/361718580.db2.gz LATHBVCIPOTNAA-TXEJJXNPSA-N -1 3 290.363 1.852 10 0 CDAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C1(C(C)C)CC1 ZINC000293711979 370761908 /nfs/dbraw/zinc/76/19/08/370761908.db2.gz DWZNGAWWBTVWHQ-UHFFFAOYSA-N -1 3 291.804 1.849 10 0 CDAEHM Cc1c(C(C)C)[nH][nH]c1=NC(=O)c1cc(=O)[n-]cn1 ZINC000630011842 364428442 /nfs/dbraw/zinc/42/84/42/364428442.db2.gz NXRRYPWQTGBJEX-UHFFFAOYSA-N -1 3 261.285 1.011 10 0 CDAEHM C[C@@]1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCOC1 ZINC000270169805 364483069 /nfs/dbraw/zinc/48/30/69/364483069.db2.gz VDQYYZSNHSGBCX-OAHLLOKOSA-N -1 3 272.304 1.849 10 0 CDAEHM NC(=O)CC1(NCc2cccc([O-])c2Cl)CCC1 ZINC000352942949 364658394 /nfs/dbraw/zinc/65/83/94/364658394.db2.gz AMRWMFUYXZABAU-UHFFFAOYSA-N -1 3 268.744 1.933 10 0 CDAEHM CCOC(=O)CC[C@@H](C)NC(=O)c1cccc(OC)c1[O-] ZINC000270631238 364684049 /nfs/dbraw/zinc/68/40/49/364684049.db2.gz QKQZRQBRXXVTGM-SNVBAGLBSA-N -1 3 295.335 1.862 10 0 CDAEHM CCC(C)(C)N[C@H](C)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352989712 364698400 /nfs/dbraw/zinc/69/84/00/364698400.db2.gz RJOAIIPSYHTDCY-PWSUYJOCSA-N -1 3 294.399 1.788 10 0 CDAEHM CSCCCC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352991979 364699814 /nfs/dbraw/zinc/69/98/14/364699814.db2.gz UXPALNHWUYIIFA-SNVBAGLBSA-N -1 3 269.370 1.765 10 0 CDAEHM CC[C@@H](SC)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352994767 364700436 /nfs/dbraw/zinc/70/04/36/364700436.db2.gz UXPQKSAMIRFRGN-VHSXEESVSA-N -1 3 269.370 1.763 10 0 CDAEHM COCCCC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352994764 364701394 /nfs/dbraw/zinc/70/13/94/364701394.db2.gz UXLAUYKLFANNNL-SNVBAGLBSA-N -1 3 253.302 1.048 10 0 CDAEHM CC[C@@H](C)OCC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352994584 364701463 /nfs/dbraw/zinc/70/14/63/364701463.db2.gz YYIIZFBNNOCXFT-KOLCDFICSA-N -1 3 267.329 1.437 10 0 CDAEHM Cc1ccc([O-])c(CN[C@@H](C)C2(S(C)(=O)=O)CC2)n1 ZINC000353042025 364784223 /nfs/dbraw/zinc/78/42/23/364784223.db2.gz ZLALSLOBMHTKAC-JTQLQIEISA-N -1 3 284.381 1.151 10 0 CDAEHM CCCCN(C)CC[N-]S(=O)(=O)c1cscn1 ZINC000645533164 364808193 /nfs/dbraw/zinc/80/81/93/364808193.db2.gz SDMRQEWCKGVUSN-UHFFFAOYSA-N -1 3 277.415 1.153 10 0 CDAEHM CC(=O)c1ccc(C(=O)NCC[C@@H]2CCOC2)cc1[O-] ZINC000412252477 240115701 /nfs/dbraw/zinc/11/57/01/240115701.db2.gz MCTJKSFZYXRXCE-LLVKDONJSA-N -1 3 277.320 1.751 10 0 CDAEHM O=C(NCc1nccs1)NCc1ncccc1[O-] ZINC000471680540 364951440 /nfs/dbraw/zinc/95/14/40/364951440.db2.gz QUEMRJNAXJOIHN-UHFFFAOYSA-N -1 3 264.310 1.243 10 0 CDAEHM Cc1c([C@@H](C)NC(=O)NCc2ncccc2[O-])cnn1C ZINC000471650086 364941266 /nfs/dbraw/zinc/94/12/66/364941266.db2.gz SBQPUKXMOXUJEA-SECBINFHSA-N -1 3 289.339 1.390 10 0 CDAEHM CO[C@H](C)c1noc(CN(C)Cc2nc(C)ccc2[O-])n1 ZINC000271201895 364973225 /nfs/dbraw/zinc/97/32/25/364973225.db2.gz JESRLYZHMFJWLK-SNVBAGLBSA-N -1 3 292.339 1.818 10 0 CDAEHM O=c1cc(CCNc2nc(Br)cs2)[n-][nH]1 ZINC000307022006 364992621 /nfs/dbraw/zinc/99/26/21/364992621.db2.gz UOKXRNYSWGLYMF-UHFFFAOYSA-N -1 3 289.158 1.577 10 0 CDAEHM CO[C@@]1(C)C[C@@H](NC(=O)NCc2ncccc2[O-])C1(C)C ZINC000471986925 365040881 /nfs/dbraw/zinc/04/08/81/365040881.db2.gz ZXHNJJTXAVQGFU-DOMZBBRYSA-N -1 3 293.367 1.790 10 0 CDAEHM CSc1nnc(C[N-]S(=O)(=O)CC2CC2)s1 ZINC000275426949 193032324 /nfs/dbraw/zinc/03/23/24/193032324.db2.gz AXQISCXJEDVNMR-UHFFFAOYSA-N -1 3 279.412 1.089 10 0 CDAEHM COc1nnc(NC(=O)[C@](C)(O)[C@@H](C)c2ccccc2)[n-]1 ZINC000272454035 365246644 /nfs/dbraw/zinc/24/66/44/365246644.db2.gz JVCNIHUJEDUDSD-LKFCYVNXSA-N -1 3 290.323 1.307 10 0 CDAEHM COc1nc(NC(=O)[C@](C)(O)[C@@H](C)c2ccccc2)n[n-]1 ZINC000272454035 365246654 /nfs/dbraw/zinc/24/66/54/365246654.db2.gz JVCNIHUJEDUDSD-LKFCYVNXSA-N -1 3 290.323 1.307 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@](C)(O)[C@@H](C)c2ccccc2)n1 ZINC000272454035 365246661 /nfs/dbraw/zinc/24/66/61/365246661.db2.gz JVCNIHUJEDUDSD-LKFCYVNXSA-N -1 3 290.323 1.307 10 0 CDAEHM CCc1ccc([O-])c(C(=O)NCc2c(C)nnn2CC)c1 ZINC000627870913 365335870 /nfs/dbraw/zinc/33/58/70/365335870.db2.gz RQPNDFFRWHXUFN-UHFFFAOYSA-N -1 3 288.351 1.804 10 0 CDAEHM CO[C@H](C)CN(C(=O)c1ccc2n[n-]nc2c1)C(C)C ZINC000354455615 365488600 /nfs/dbraw/zinc/48/86/00/365488600.db2.gz AZQMOWMZBUBSPF-SNVBAGLBSA-N -1 3 276.340 1.843 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C ZINC000626980525 367126277 /nfs/dbraw/zinc/12/62/77/367126277.db2.gz IWMJXSRXVGQDGD-AAEUAGOBSA-N -1 3 295.379 1.588 10 0 CDAEHM CC1(C)[C@H](O)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000311188557 367138977 /nfs/dbraw/zinc/13/89/77/367138977.db2.gz BVKWVYIKGWMPEH-LLVKDONJSA-N -1 3 251.282 1.083 10 0 CDAEHM Cc1cc(C(=O)NC[C@H]2CCCC[C@H]2O)ccc1[O-] ZINC000226718411 367373880 /nfs/dbraw/zinc/37/38/80/367373880.db2.gz LGPOVIHXTUXFDF-TZMCWYRMSA-N -1 3 263.337 1.982 10 0 CDAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CCCCF)cn21 ZINC000416483207 242018367 /nfs/dbraw/zinc/01/83/67/242018367.db2.gz JRASTFWOWBMZGM-SNVBAGLBSA-N -1 3 289.376 1.808 10 0 CDAEHM CCC[C@](C)([N-]S(=O)(=O)c1ccc(C)o1)C(=O)OC ZINC000358468578 367707822 /nfs/dbraw/zinc/70/78/22/367707822.db2.gz HCKDFIHJRHVGRF-LBPRGKRZSA-N -1 3 289.353 1.598 10 0 CDAEHM C[C@]1(F)CCCN(c2nc3nncc-3c(O)[n-]2)C1 ZINC000294999010 291399507 /nfs/dbraw/zinc/39/95/07/291399507.db2.gz RNNIPYQVJGYKIU-NSHDSACASA-N -1 3 251.265 1.387 10 0 CDAEHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358602458 367808849 /nfs/dbraw/zinc/80/88/49/367808849.db2.gz RHVGURRTZJJYMF-MWLCHTKSSA-N -1 3 275.370 1.663 10 0 CDAEHM Cc1nc(C)c(CC(=O)N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c(=O)[n-]1 ZINC000529978701 368103693 /nfs/dbraw/zinc/10/36/93/368103693.db2.gz FJSIHZUDLVBORX-XPXLTNGVSA-N -1 3 293.367 1.270 10 0 CDAEHM CCc1ccc(CC)c(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000125250708 368227030 /nfs/dbraw/zinc/22/70/30/368227030.db2.gz SFYWFXRCCSKKML-LBPRGKRZSA-N -1 3 289.335 1.348 10 0 CDAEHM COC[C@@]1(C(=O)Nc2ccccc2[O-])CCCCN1 ZINC000638168666 368613829 /nfs/dbraw/zinc/61/38/29/368613829.db2.gz OADPKBGIFCXVHD-CQSZACIVSA-N -1 3 264.325 1.489 10 0 CDAEHM CO[C@H]1C[C@@H](N(C)C(=O)c2ccc(O)cc2[O-])C1 ZINC000286168339 368714303 /nfs/dbraw/zinc/71/43/03/368714303.db2.gz ZONSXVJDKBWWHQ-WAAGHKOSSA-N -1 3 251.282 1.347 10 0 CDAEHM O=C(NCC[C@@H](O)C(F)(F)F)c1cccc2nn[n-]c21 ZINC000545284265 369185551 /nfs/dbraw/zinc/18/55/51/369185551.db2.gz GBNYRMINUJMBDH-MRVPVSSYSA-N -1 3 288.229 1.001 10 0 CDAEHM O=C(NCC[C@@H](O)C(F)(F)F)c1cccc2[n-]nnc21 ZINC000545284265 369185552 /nfs/dbraw/zinc/18/55/52/369185552.db2.gz GBNYRMINUJMBDH-MRVPVSSYSA-N -1 3 288.229 1.001 10 0 CDAEHM O=C(NCC[C@@H](O)C(F)(F)F)c1cccc2n[n-]nc21 ZINC000545284265 369185556 /nfs/dbraw/zinc/18/55/56/369185556.db2.gz GBNYRMINUJMBDH-MRVPVSSYSA-N -1 3 288.229 1.001 10 0 CDAEHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cn(CC)cn2)CCO1 ZINC000420716292 244339897 /nfs/dbraw/zinc/33/98/97/244339897.db2.gz BWVCEQLVMYOFOT-GHMZBOCLSA-N -1 3 287.385 1.139 10 0 CDAEHM O=C(/C=C/c1cncc([O-])c1)N1CCC(c2cn[nH]c2)CC1 ZINC000367885038 369280471 /nfs/dbraw/zinc/28/04/71/369280471.db2.gz JIROZXDWOXXRGS-OWOJBTEDSA-N -1 3 298.346 1.930 10 0 CDAEHM Cn1cc([C@@H]2CCN(C(=O)c3ccccc3[O-])C2)cn1 ZINC000116123451 369284847 /nfs/dbraw/zinc/28/48/47/369284847.db2.gz YWOXCDNUEHSOON-LLVKDONJSA-N -1 3 271.320 1.755 10 0 CDAEHM Cc1cnn(CC[N-]C(=O)C(F)(F)C(F)F)c1 ZINC000226645912 189776785 /nfs/dbraw/zinc/77/67/85/189776785.db2.gz WYDWYVKTDPLBNN-UHFFFAOYSA-N -1 3 253.199 1.208 10 0 CDAEHM COC[C@H]1CN(Cc2nc(C)ccc2[O-])C[C@@H](C)O1 ZINC000276122290 193218746 /nfs/dbraw/zinc/21/87/46/193218746.db2.gz YLYBGHLQAUTZQB-VXGBXAGGSA-N -1 3 266.341 1.331 10 0 CDAEHM COc1cc(=NC(=O)Cc2ccccc2C)[n-]n1C ZINC000547494447 369568181 /nfs/dbraw/zinc/56/81/81/369568181.db2.gz RQVRYJKJLTWDTL-UHFFFAOYSA-N -1 3 259.309 1.340 10 0 CDAEHM COc1cc(=NC(=O)N(Cc2ccco2)C(C)C)[n-]n1C ZINC000547839712 369664863 /nfs/dbraw/zinc/66/48/63/369664863.db2.gz IONUSWSSLIAJSI-UHFFFAOYSA-N -1 3 292.339 1.886 10 0 CDAEHM COc1cc(=NC(=O)c2sccc2C)[n-]n1C ZINC000548143309 369767576 /nfs/dbraw/zinc/76/75/76/369767576.db2.gz HUSLZANFFHHOFT-UHFFFAOYSA-N -1 3 251.311 1.473 10 0 CDAEHM COc1cc(=NC(=O)N(C)CC2CCC2)[n-]n1C ZINC000548167208 369775420 /nfs/dbraw/zinc/77/54/20/369775420.db2.gz UXJLLRWWAVWXIU-UHFFFAOYSA-N -1 3 252.318 1.114 10 0 CDAEHM CC(C)N(Cc1cc(=O)n2[n-]ccc2n1)[C@H]1CCOC1 ZINC000582275279 369853558 /nfs/dbraw/zinc/85/35/58/369853558.db2.gz ZKTCHQPQROXJTM-LBPRGKRZSA-N -1 3 276.340 1.022 10 0 CDAEHM Cc1cccc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1[O-] ZINC000369824095 369888581 /nfs/dbraw/zinc/88/85/81/369888581.db2.gz JOGFWFVHTYFULK-DMDPSCGWSA-N -1 3 288.347 1.440 10 0 CDAEHM Cc1ccc(C(=O)N2CC(F)(F)C[C@H]2CO)c([O-])c1 ZINC000370400201 370043148 /nfs/dbraw/zinc/04/31/48/370043148.db2.gz OHJNBEAHBPBCJE-VIFPVBQESA-N -1 3 271.263 1.543 10 0 CDAEHM CC[C@H]1CCN1C(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000294240510 371009774 /nfs/dbraw/zinc/00/97/74/371009774.db2.gz ZSQICLQLZLNZFG-VIFPVBQESA-N -1 3 286.353 1.121 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCOC2(C)C)s1 ZINC000295403073 371258750 /nfs/dbraw/zinc/25/87/50/371258750.db2.gz VTEMYBKSSYLIQD-MRVPVSSYSA-N -1 3 276.383 1.297 10 0 CDAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cncc(Cl)c1 ZINC000572711907 371283561 /nfs/dbraw/zinc/28/35/61/371283561.db2.gz BSGSLCYBFGKRDZ-NSHDSACASA-N -1 3 292.726 1.984 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)C[C@H]2CCCCC(=O)N2)n1 ZINC000377111239 371435190 /nfs/dbraw/zinc/43/51/90/371435190.db2.gz HHFJUBUYSGHPGL-SNVBAGLBSA-N -1 3 277.324 1.483 10 0 CDAEHM O=C([N-]CCCN1CCO[C@@H](C2CC2)C1)C(F)(F)F ZINC000377133231 371442423 /nfs/dbraw/zinc/44/24/23/371442423.db2.gz LXFBWVQXQMPSMM-SNVBAGLBSA-N -1 3 280.290 1.166 10 0 CDAEHM O=c1[n-]c(C2CCN(CCO[C@H]3CCCCO3)CC2)n[nH]1 ZINC000377489159 371550311 /nfs/dbraw/zinc/55/03/11/371550311.db2.gz CVOINXFNDPUAOT-LBPRGKRZSA-N -1 3 296.371 1.233 10 0 CDAEHM CC(C)(C)OC(=O)C1CN(C(=O)c2c([O-])cccc2O)C1 ZINC000296208467 371661208 /nfs/dbraw/zinc/66/12/08/371661208.db2.gz USOUSLXCIYPWCE-UHFFFAOYSA-N -1 3 293.319 1.512 10 0 CDAEHM CS(=O)(=O)C[C@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000336835828 371707417 /nfs/dbraw/zinc/70/74/17/371707417.db2.gz VIZCDMLABRMLRW-NSHDSACASA-N -1 3 297.376 1.289 10 0 CDAEHM COc1cc(=NC(=O)N2CCC(C)(C)CC2)[n-]n1C ZINC000575408947 371835848 /nfs/dbraw/zinc/83/58/48/371835848.db2.gz AOOXRTKIAFUDBL-UHFFFAOYSA-N -1 3 266.345 1.505 10 0 CDAEHM COc1cccc(C(=O)NCc2oc(C)nc2C)c1[O-] ZINC000380490454 372770250 /nfs/dbraw/zinc/77/02/50/372770250.db2.gz WEIAOLWFZGGYIF-UHFFFAOYSA-N -1 3 276.292 1.936 10 0 CDAEHM CCCC[C@@H](CCC)NC(=O)CN1CC(=O)[N-]C1=O ZINC000177276787 372878506 /nfs/dbraw/zinc/87/85/06/372878506.db2.gz BBFGTTXLBVCOGC-SNVBAGLBSA-N -1 3 269.345 1.013 10 0 CDAEHM CCN(C(=O)c1cc(OC)ccc1[O-])[C@H]1CCOC1 ZINC000382254111 373024768 /nfs/dbraw/zinc/02/47/68/373024768.db2.gz LYIZUEAHXONNBO-JTQLQIEISA-N -1 3 265.309 1.652 10 0 CDAEHM C[C@H]1CC[C@H](C(=O)[O-])CN1CC(=O)NC1CCCCC1 ZINC000397034855 373107403 /nfs/dbraw/zinc/10/74/03/373107403.db2.gz CJNIIQBDFMRDOW-RYUDHWBXSA-N -1 3 282.384 1.620 10 0 CDAEHM CCCC[C@@H](CC)CNC(=O)[C@@H](N)CCC(=O)[O-] ZINC000083430765 373660474 /nfs/dbraw/zinc/66/04/74/373660474.db2.gz ZGOONWXFJGMOIR-MNOVXSKESA-N -1 3 258.362 1.511 10 0 CDAEHM O=S(=O)([N-]C1(C(F)F)CC1)c1ccc(F)cc1 ZINC000334261489 374668661 /nfs/dbraw/zinc/66/86/61/374668661.db2.gz XWTQYKDIVNPZKE-UHFFFAOYSA-N -1 3 265.256 1.902 10 0 CDAEHM CCc1cc(C)c(C(=O)N2CCc3c(=O)[n-]cnc3C2)o1 ZINC000334294124 374797730 /nfs/dbraw/zinc/79/77/30/374797730.db2.gz SBJMFJIPWIEHCF-UHFFFAOYSA-N -1 3 287.319 1.845 10 0 CDAEHM Cc1c[nH]cc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427086441 247093204 /nfs/dbraw/zinc/09/32/04/247093204.db2.gz CAEDETZDGUAJRQ-UHFFFAOYSA-N -1 3 282.307 1.679 10 0 CDAEHM Cc1c[nH]cc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427086441 247093206 /nfs/dbraw/zinc/09/32/06/247093206.db2.gz CAEDETZDGUAJRQ-UHFFFAOYSA-N -1 3 282.307 1.679 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cc1cccc(O)c1 ZINC000427145095 247101636 /nfs/dbraw/zinc/10/16/36/247101636.db2.gz QTNCZFJPHKHTFK-UHFFFAOYSA-N -1 3 275.264 1.083 10 0 CDAEHM Cn1nc(-c2ccsc2)cc1NC(=O)c1nnc[n-]1 ZINC000427927313 247215760 /nfs/dbraw/zinc/21/57/60/247215760.db2.gz BKSUSTHASCPKCJ-UHFFFAOYSA-N -1 3 274.309 1.519 10 0 CDAEHM Cn1nc(-c2ccsc2)cc1NC(=O)c1nc[n-]n1 ZINC000427927313 247215762 /nfs/dbraw/zinc/21/57/62/247215762.db2.gz BKSUSTHASCPKCJ-UHFFFAOYSA-N -1 3 274.309 1.519 10 0 CDAEHM O=C(c1cccc2[n-]nnc21)N1CC[C@H]1C(F)F ZINC000633234391 376130667 /nfs/dbraw/zinc/13/06/67/376130667.db2.gz CCONWNAZCQBLBK-QMMMGPOBSA-N -1 3 252.224 1.438 10 0 CDAEHM O=C(c1cccc2nn[n-]c21)N1CC[C@H]1C(F)F ZINC000633234391 376130672 /nfs/dbraw/zinc/13/06/72/376130672.db2.gz CCONWNAZCQBLBK-QMMMGPOBSA-N -1 3 252.224 1.438 10 0 CDAEHM O=C(c1cccc2n[n-]nc21)N1CC[C@H]1C(F)F ZINC000633234391 376130674 /nfs/dbraw/zinc/13/06/74/376130674.db2.gz CCONWNAZCQBLBK-QMMMGPOBSA-N -1 3 252.224 1.438 10 0 CDAEHM Cc1nn(C)c(C)c1[C@H](C)C(=O)NCc1ncccc1[O-] ZINC000331013436 376452593 /nfs/dbraw/zinc/45/25/93/376452593.db2.gz KMHJHKRBGFHGCR-VIFPVBQESA-N -1 3 288.351 1.557 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2c3c(nn2C)CCC3)c[n-]1 ZINC000432883368 247957904 /nfs/dbraw/zinc/95/79/04/247957904.db2.gz AXQALBQAXQHMKO-UHFFFAOYSA-N -1 3 288.307 1.276 10 0 CDAEHM CC[C@H](C)[C@H](O)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000344621827 376666184 /nfs/dbraw/zinc/66/61/84/376666184.db2.gz LKVCAJSLQVYULL-ZANVPECISA-N -1 3 289.339 1.136 10 0 CDAEHM CC[C@H](C)[C@H](O)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000344621827 376666192 /nfs/dbraw/zinc/66/61/92/376666192.db2.gz LKVCAJSLQVYULL-ZANVPECISA-N -1 3 289.339 1.136 10 0 CDAEHM Cc1noc([C@@H](C)[N-]S(=O)(=O)C2(C(C)C)CC2)n1 ZINC000631868480 376753371 /nfs/dbraw/zinc/75/33/71/376753371.db2.gz HWZXKOZKYDUEET-MRVPVSSYSA-N -1 3 273.358 1.547 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000335309147 296253608 /nfs/dbraw/zinc/25/36/08/296253608.db2.gz HFCUEUKOVBMASF-GFCCVEGCSA-N -1 3 289.253 1.922 10 0 CDAEHM O=c1[nH]cc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)s1 ZINC000632156597 377069473 /nfs/dbraw/zinc/06/94/73/377069473.db2.gz PGJZXKDRBLGMSL-UHFFFAOYSA-N -1 3 298.336 1.705 10 0 CDAEHM C[C@H]1CN(Cc2cc([O-])cc(F)c2)C[C@H]1N1CCOCC1 ZINC000248716476 377310278 /nfs/dbraw/zinc/31/02/78/377310278.db2.gz NRXIXVWNVWZMIS-BLLLJJGKSA-N -1 3 294.370 1.684 10 0 CDAEHM [O-]c1cc(F)cc(CN2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000248767887 377325815 /nfs/dbraw/zinc/32/58/15/377325815.db2.gz VFYTWZMKWOMRPH-HUUCEWRRSA-N -1 3 281.327 1.911 10 0 CDAEHM COC1(CS(=O)(=O)[N-][C@H]2CCOC2(C)C)CCCC1 ZINC000632391412 377381515 /nfs/dbraw/zinc/38/15/15/377381515.db2.gz YRFALHXXJCFXPD-NSHDSACASA-N -1 3 291.413 1.433 10 0 CDAEHM COc1cccc(CS(=O)(=O)[N-]C2(C(C)=O)CC2)c1 ZINC000632448119 377474654 /nfs/dbraw/zinc/47/46/54/377474654.db2.gz FBAVAUGTLZSEEF-UHFFFAOYSA-N -1 3 283.349 1.236 10 0 CDAEHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1conc1C ZINC000632508823 377545432 /nfs/dbraw/zinc/54/54/32/377545432.db2.gz OWXHTRAFXXLPCE-PSASIEDQSA-N -1 3 276.358 1.058 10 0 CDAEHM O=C(c1csc(=O)[n-]1)N1CCO[C@@H](C2CC2)C1 ZINC000334790789 377551263 /nfs/dbraw/zinc/55/12/63/377551263.db2.gz ZEBJVUXCWFMXDT-SECBINFHSA-N -1 3 254.311 1.100 10 0 CDAEHM Cc1nocc1S(=O)(=O)[N-][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000632597920 377653854 /nfs/dbraw/zinc/65/38/54/377653854.db2.gz GCZHEESQVYOYSO-PBCZWWQYSA-N -1 3 274.342 1.073 10 0 CDAEHM CC(C)(F)C[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000632608631 377667546 /nfs/dbraw/zinc/66/75/46/377667546.db2.gz YRZODPMGQNKJHP-UHFFFAOYSA-N -1 3 267.272 1.991 10 0 CDAEHM COC1(CS(=O)(=O)[N-][C@@H]2C[C@H](C)O[C@H]2C)CCCC1 ZINC000632646383 377703091 /nfs/dbraw/zinc/70/30/91/377703091.db2.gz IUWQJYPXZHOBHC-SDDRHHMPSA-N -1 3 291.413 1.431 10 0 CDAEHM O=S(=O)([N-][C@@]12C[C@@H]1CCCC2)c1ccccn1 ZINC000632653658 377712765 /nfs/dbraw/zinc/71/27/65/377712765.db2.gz JMIRBIIOUDFEBZ-JQWIXIFHSA-N -1 3 252.339 1.693 10 0 CDAEHM CO[C@H](CS(=O)(=O)[N-]c1cncc(C)c1)C1CC1 ZINC000572243245 377797777 /nfs/dbraw/zinc/79/77/77/377797777.db2.gz RUIKRPUVUMOBKY-GFCCVEGCSA-N -1 3 270.354 1.557 10 0 CDAEHM C[C@@H]1[C@@H](C(=O)NCc2cc(=O)[n-]c(=O)[nH]2)[C@H]1c1ccccc1 ZINC000633520244 378508691 /nfs/dbraw/zinc/50/86/91/378508691.db2.gz BZCHHSUSFXBLNX-CUOATXAZSA-N -1 3 299.330 1.554 10 0 CDAEHM CC(C)(C(=O)NCc1cc(=O)[n-]c(=O)[nH]1)C1CCC1 ZINC000633521670 378513484 /nfs/dbraw/zinc/51/34/84/378513484.db2.gz UALWUENXGPCDLE-UHFFFAOYSA-N -1 3 265.313 1.330 10 0 CDAEHM COc1nnc([N-]C(=O)c2cncnc2C2CC2)s1 ZINC000633908986 378860120 /nfs/dbraw/zinc/86/01/20/378860120.db2.gz DEEUPQDSZBRCHX-UHFFFAOYSA-N -1 3 277.309 1.466 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-][C@]1(C)CC1(C)C ZINC000660051648 412895948 /nfs/dbraw/zinc/89/59/48/412895948.db2.gz ZLMJYTJDJPDJHC-CYBMUJFWSA-N -1 3 284.381 1.947 10 0 CDAEHM CO[C@H]1CN(C(=O)c2ccc([O-])c(C)c2)[C@@](C)(CO)C1 ZINC000634073139 379020285 /nfs/dbraw/zinc/02/02/85/379020285.db2.gz WVMZKJNESYDIQN-IUODEOHRSA-N -1 3 279.336 1.313 10 0 CDAEHM COCc1cc(NC(=O)NCc2ncccc2[O-])ncn1 ZINC000344065434 379127559 /nfs/dbraw/zinc/12/75/59/379127559.db2.gz XPZVATGDYBOXFJ-UHFFFAOYSA-N -1 3 289.295 1.045 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)[C@H]2CCCN2C(=O)C(C)C)n1 ZINC000447629685 250398907 /nfs/dbraw/zinc/39/89/07/250398907.db2.gz MJPQLJLXZSNKPL-LLVKDONJSA-N -1 3 291.351 1.681 10 0 CDAEHM CC(C)Cc1ncc(C[N-]c2nnc(CO)o2)s1 ZINC000278934247 194219335 /nfs/dbraw/zinc/21/93/35/194219335.db2.gz LODAAZDNVVHMKN-UHFFFAOYSA-N -1 3 268.342 1.829 10 0 CDAEHM COC(=O)[C@@H](C)[N-]S(=O)(=O)Cc1ccc(C)c(C)c1 ZINC000288226003 197031716 /nfs/dbraw/zinc/03/17/16/197031716.db2.gz FFBBFGIHOCUSIA-LLVKDONJSA-N -1 3 285.365 1.284 10 0 CDAEHM C[C@@H]1CN(CCO)CCN1Cc1cccc([O-])c1Cl ZINC000449791768 251026496 /nfs/dbraw/zinc/02/64/96/251026496.db2.gz QGCDRKXRNYXEJO-LLVKDONJSA-N -1 3 284.787 1.544 10 0 CDAEHM CCN1CCC[C@H](NC(=O)[C@H](C(=O)[O-])C(C)(C)C)C1 ZINC000253107614 483148786 /nfs/dbraw/zinc/14/87/86/483148786.db2.gz DRTVNBAXSSQREP-WDEREUQCSA-N -1 3 270.373 1.334 10 0 CDAEHM COC(=O)CCCO[N-]C(=O)Nc1ccncc1C ZINC000288914043 197191471 /nfs/dbraw/zinc/19/14/71/197191471.db2.gz UAIJSRFFDJORSH-UHFFFAOYSA-N -1 3 267.285 1.396 10 0 CDAEHM CCOC(=O)c1csc(=NC[C@@H](C)Cn2cccn2)[n-]1 ZINC000450253286 251194337 /nfs/dbraw/zinc/19/43/37/251194337.db2.gz NIEBYPHJADMCIY-SNVBAGLBSA-N -1 3 294.380 1.686 10 0 CDAEHM CCc1nc(C)cc(N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)n1 ZINC000663964162 412984112 /nfs/dbraw/zinc/98/41/12/412984112.db2.gz XXMCVZHFRQCVKJ-SNVBAGLBSA-N -1 3 287.371 1.230 10 0 CDAEHM O=C([N-]CC1CCN(Cc2cc[nH]n2)CC1)C(F)(F)F ZINC000281150307 195125598 /nfs/dbraw/zinc/12/55/98/195125598.db2.gz FKGYHUAGCPGIBT-UHFFFAOYSA-N -1 3 290.289 1.300 10 0 CDAEHM CCCn1c(=O)[n-]nc1SCc1oncc1C(=O)OC ZINC000505460931 254088468 /nfs/dbraw/zinc/08/84/68/254088468.db2.gz GUKWPHILOWDPSS-UHFFFAOYSA-N -1 3 298.324 1.461 10 0 CDAEHM CCS(=O)(=O)[N-]Cc1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 ZINC000656045141 413008504 /nfs/dbraw/zinc/00/85/04/413008504.db2.gz AMZYTGFDEZJTDW-IVZWLZJFSA-N -1 3 285.369 1.413 10 0 CDAEHM O=c1nc([C@H]2CCCN(Cc3ccc(F)cc3)C2)[nH][n-]1 ZINC000288568109 285226580 /nfs/dbraw/zinc/22/65/80/285226580.db2.gz ANKXMPZEMCWHRA-NSHDSACASA-N -1 3 276.315 1.617 10 0 CDAEHM CCC(CC)NC(=O)[C@H](C)N1CCC(C)(C(=O)[O-])CC1 ZINC000062844184 413018614 /nfs/dbraw/zinc/01/86/14/413018614.db2.gz JBVVNQDDUGAGFZ-NSHDSACASA-N -1 3 284.400 1.866 10 0 CDAEHM COCCCO[N-]C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000287293382 196824618 /nfs/dbraw/zinc/82/46/18/196824618.db2.gz 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O=C([O-])[C@H]1CCC[C@@H](NCC(=O)Nc2nccs2)C1 ZINC000070571106 175986836 /nfs/dbraw/zinc/98/68/36/175986836.db2.gz JESQXXABDKSBEL-DTWKUNHWSA-N -1 3 283.353 1.315 10 0 CDAEHM CSCC[C@H](N)C(=O)Nc1cccc(C)c1C(=O)[O-] ZINC000071171474 176051787 /nfs/dbraw/zinc/05/17/87/176051787.db2.gz MWRLKNGYHZMYKD-VIFPVBQESA-N -1 3 282.365 1.712 10 0 CDAEHM Cc1cccc(NC(=O)[C@H]2CCCCN2)c1C(=O)[O-] ZINC000071171423 176051873 /nfs/dbraw/zinc/05/18/73/176051873.db2.gz AHMBKGQUYRHZPA-LLVKDONJSA-N -1 3 262.309 1.774 10 0 CDAEHM CCN1CCC[C@@H](Nc2cnc(C(=O)[O-])cn2)C1 ZINC000071181690 176057276 /nfs/dbraw/zinc/05/72/76/176057276.db2.gz DLRHQKDZOUZYLB-SECBINFHSA-N -1 3 250.302 1.071 10 0 CDAEHM C[C@H](CN1CCCC1=O)NCc1ccc(C(=O)[O-])o1 ZINC000071396077 176149849 /nfs/dbraw/zinc/14/98/49/176149849.db2.gz YBVYFQNLAGHEAV-SECBINFHSA-N -1 3 266.297 1.078 10 0 CDAEHM N[C@H](C(=O)[O-])c1cc(F)c(F)cc1Br ZINC000072196833 176338951 /nfs/dbraw/zinc/33/89/51/176338951.db2.gz JIYCGCYJFSVEFR-ZETCQYMHSA-N -1 3 266.041 1.812 10 0 CDAEHM COc1cc(=NC(=O)N2CC[C@@H](C)C(C)(C)C2)[n-]n1C ZINC000548167350 289853136 /nfs/dbraw/zinc/85/31/36/289853136.db2.gz MOVDFBAGJUEKMR-SNVBAGLBSA-N -1 3 280.372 1.751 10 0 CDAEHM COc1ccc([C@H](NCC2CC2)C(=O)[O-])c(OC)c1OC ZINC000037967468 260122195 /nfs/dbraw/zinc/12/21/95/260122195.db2.gz YLSXEZAWAMWLLP-LBPRGKRZSA-N -1 3 295.335 1.838 10 0 CDAEHM COc1ccccc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000525968184 262365680 /nfs/dbraw/zinc/36/56/80/262365680.db2.gz AEPYWBJCJPDJFH-CYBMUJFWSA-N -1 3 287.319 1.944 10 0 CDAEHM COC[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000652782523 424170685 /nfs/dbraw/zinc/17/06/85/424170685.db2.gz LWYSQRHTMGHDFK-QWHCGFSZSA-N -1 3 293.363 1.737 10 0 CDAEHM Cc1ccc(C(=O)N[C@H]2CCCN(C)C2)c([O-])c1C ZINC000048752908 424299376 /nfs/dbraw/zinc/29/93/76/424299376.db2.gz FDGIRHNPHCNZAC-LBPRGKRZSA-N -1 3 262.353 1.833 10 0 CDAEHM C[C@H](C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1)C(C)(F)F ZINC000651976520 424553138 /nfs/dbraw/zinc/55/31/38/424553138.db2.gz 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COc1cc(=NC(=O)c2ccc(NC(C)C)nc2)[n-]n1C ZINC000548517724 289897776 /nfs/dbraw/zinc/89/77/76/289897776.db2.gz TXRUCUBRZKUREG-UHFFFAOYSA-N -1 3 289.339 1.318 10 0 CDAEHM CCc1ccccc1C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000555534933 290223192 /nfs/dbraw/zinc/22/31/92/290223192.db2.gz RAWDGMUIAGDZTH-ZDUSSCGKSA-N -1 3 299.378 1.767 10 0 CDAEHM O=c1[n-]nc(C2CCN(CCOC[C@@H]3CCCO3)CC2)o1 ZINC000562709353 293181042 /nfs/dbraw/zinc/18/10/42/293181042.db2.gz FGGBXJQZGQIYHO-LBPRGKRZSA-N -1 3 297.355 1.150 10 0 CDAEHM COc1cc(=NC(=O)[C@@H]2CCc3ccccc3C2)[n-]n1C ZINC000563222582 293317496 /nfs/dbraw/zinc/31/74/96/293317496.db2.gz XVRILSPWNXDXQX-CYBMUJFWSA-N -1 3 285.347 1.594 10 0 CDAEHM CCN(CCOCC(=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000563277192 293331141 /nfs/dbraw/zinc/33/11/41/293331141.db2.gz JZJHVWBYYSPMLB-LBPRGKRZSA-N -1 3 295.335 1.250 10 0 CDAEHM C[C@H](CN1CCC(C)CC1)NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000568286960 294010158 /nfs/dbraw/zinc/01/01/58/294010158.db2.gz LYSKHVFIMJSJBJ-CHWSQXEVSA-N -1 3 297.399 1.223 10 0 CDAEHM CCCCCOC1CN(C(=O)N=c2cc(OC)n(C)[n-]2)C1 ZINC000568789027 294103534 /nfs/dbraw/zinc/10/35/34/294103534.db2.gz VXJDFZJROSLITA-UHFFFAOYSA-N -1 3 296.371 1.274 10 0 CDAEHM COc1ccc(CN2[C@H](C)[C@H](C(=O)[O-])CC[C@@H]2C)nn1 ZINC000570827250 294318692 /nfs/dbraw/zinc/31/86/92/294318692.db2.gz NCRMGZOUPDPYPH-HOSYDEDBSA-N -1 3 279.340 1.559 10 0 CDAEHM COc1cc(=NC(=O)C2=CCC(C)(C)CC2)[n-]n1C ZINC000571994915 294536170 /nfs/dbraw/zinc/53/61/70/294536170.db2.gz SOVFHQKXXNPSHW-UHFFFAOYSA-N -1 3 263.341 1.926 10 0 CDAEHM O=S(=O)([N-]Cc1ccc(C2CC2)cc1)c1c[nH]cn1 ZINC000572307754 294598138 /nfs/dbraw/zinc/59/81/38/294598138.db2.gz GKGLTVIZZUEIRP-UHFFFAOYSA-N -1 3 277.349 1.766 10 0 CDAEHM C[C@@H]1CCN(C(=O)[C@@H](N)CC2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000572857454 294706858 /nfs/dbraw/zinc/70/68/58/294706858.db2.gz XEEKHPOCULRNRI-XBFCOCLRSA-N -1 3 296.411 1.853 10 0 CDAEHM COc1cccc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c1[O-] ZINC000178661428 295288688 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/nfs/dbraw/zinc/83/14/86/391831486.db2.gz BUIXNAHDJQBVPI-IUCAKERBSA-N -1 3 281.312 1.340 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)[C@H]2CCCO[C@H]2C)[n-]n1 ZINC000190030447 391831490 /nfs/dbraw/zinc/83/14/90/391831490.db2.gz BUIXNAHDJQBVPI-IUCAKERBSA-N -1 3 281.312 1.340 10 0 CDAEHM O=C(c1cc([O-])ccc1Cl)N1CC(F)(F)C[C@H]1CO ZINC000646015795 391904561 /nfs/dbraw/zinc/90/45/61/391904561.db2.gz XYTDKTXXXFBRET-ZETCQYMHSA-N -1 3 291.681 1.888 10 0 CDAEHM COc1cccc(C(=O)NCc2nccn2C(F)F)c1[O-] ZINC000195326907 392091976 /nfs/dbraw/zinc/09/19/76/392091976.db2.gz LYMYQVGEEKNGIM-UHFFFAOYSA-N -1 3 297.261 1.922 10 0 CDAEHM COc1cc(=NC(=O)C[C@H](C)c2ccco2)[n-]n1C ZINC000529060810 392239317 /nfs/dbraw/zinc/23/93/17/392239317.db2.gz NTNLFPSTJLDWBA-VIFPVBQESA-N -1 3 263.297 1.576 10 0 CDAEHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000567964142 392311209 /nfs/dbraw/zinc/31/12/09/392311209.db2.gz FBLHNJKASHWBCE-BZNIZROVSA-N -1 3 298.342 1.779 10 0 CDAEHM COc1cc(C(=O)NCC[C@H]2CCOC2)ccc1[O-] ZINC000442790467 392315656 /nfs/dbraw/zinc/31/56/56/392315656.db2.gz GRPKDKFKAIVLAG-JTQLQIEISA-N -1 3 265.309 1.557 10 0 CDAEHM CC1CCC(NC(=O)CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000568087742 392362069 /nfs/dbraw/zinc/36/20/69/392362069.db2.gz RVTBEDIOKLHQGT-HHTDUIENSA-N -1 3 296.411 1.724 10 0 CDAEHM CCc1cc(C(=O)N[C@H](CO)c2ccnn2C)ccc1[O-] ZINC000458148240 392385849 /nfs/dbraw/zinc/38/58/49/392385849.db2.gz GLZBYXPEKMHTIH-GFCCVEGCSA-N -1 3 289.335 1.152 10 0 CDAEHM O=C([N-]c1nnc2[nH]cnn12)C1CCc2ccccc2CC1 ZINC000529405589 392394208 /nfs/dbraw/zinc/39/42/08/392394208.db2.gz SSSZNKUTRGRPNK-UHFFFAOYSA-N -1 3 296.334 1.586 10 0 CDAEHM COc1nnc(NC(=O)Cc2cccc(Cl)c2)[n-]1 ZINC000126803739 392589445 /nfs/dbraw/zinc/58/94/45/392589445.db2.gz YQDAXTJNVYEBCW-UHFFFAOYSA-N -1 3 266.688 1.648 10 0 CDAEHM COc1nc(NC(=O)Cc2cccc(Cl)c2)n[n-]1 ZINC000126803739 392589448 /nfs/dbraw/zinc/58/94/48/392589448.db2.gz YQDAXTJNVYEBCW-UHFFFAOYSA-N -1 3 266.688 1.648 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2cccc(Cl)c2)n1 ZINC000126803739 392589452 /nfs/dbraw/zinc/58/94/52/392589452.db2.gz YQDAXTJNVYEBCW-UHFFFAOYSA-N -1 3 266.688 1.648 10 0 CDAEHM CO[C@H](C(=O)N=c1[nH][n-]c(C(C)C)c1C)c1cnn(C)c1 ZINC000649229954 393123518 /nfs/dbraw/zinc/12/35/18/393123518.db2.gz UEHOLTABJWQMTF-LBPRGKRZSA-N -1 3 291.355 1.323 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@]1(C)CCOC1 ZINC000649230713 393125503 /nfs/dbraw/zinc/12/55/03/393125503.db2.gz UIDKZHFHAIEKSZ-ZDUSSCGKSA-N -1 3 251.330 1.629 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000649231500 393126819 /nfs/dbraw/zinc/12/68/19/393126819.db2.gz XWLZYORUJHJDNZ-SNVBAGLBSA-N -1 3 287.367 1.730 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](C)Cc2cnn(C)c2)o1 ZINC000451966886 393414270 /nfs/dbraw/zinc/41/42/70/393414270.db2.gz MQXFEFRXODXOEC-SECBINFHSA-N -1 3 283.353 1.231 10 0 CDAEHM CCc1ncc(C[N-]S(=O)(=O)Cc2ccc(F)cc2)o1 ZINC000451957679 393412108 /nfs/dbraw/zinc/41/21/08/393412108.db2.gz JPSQNXYTGFMKRQ-UHFFFAOYSA-N -1 3 298.339 1.996 10 0 CDAEHM CCc1ncc(C[N-]S(=O)(=O)c2ccc(F)cc2)o1 ZINC000451963332 393412574 /nfs/dbraw/zinc/41/25/74/393412574.db2.gz YQITZOJMYDBRQI-UHFFFAOYSA-N -1 3 284.312 1.855 10 0 CDAEHM C[C@H]1CCc2ccccc2N1C(=O)[C@@H](N)CCC(=O)[O-] ZINC000085818398 135038280 /nfs/dbraw/zinc/03/82/80/135038280.db2.gz XRQMNUCQTSJKJC-JQWIXIFHSA-N -1 3 276.336 1.546 10 0 CDAEHM Cc1cc(NC(=O)CN(C)C(=O)c2cccc([O-])c2)no1 ZINC000185334177 140038700 /nfs/dbraw/zinc/03/87/00/140038700.db2.gz ACQLUUUEUVLXLK-UHFFFAOYSA-N -1 3 289.291 1.399 10 0 CDAEHM O=C(Nc1cccc(Cl)c1[O-])c1n[nH]c2c1CNCC2 ZINC000188895443 140103751 /nfs/dbraw/zinc/10/37/51/140103751.db2.gz PZQMYCHWROJCNT-UHFFFAOYSA-N -1 3 292.726 1.667 10 0 CDAEHM Cc1nn(C)cc1S(=O)(=O)[N-]C(C)(C)C(C)(F)F ZINC000656186275 413083012 /nfs/dbraw/zinc/08/30/12/413083012.db2.gz OYQYMGVIEBNEDG-UHFFFAOYSA-N -1 3 281.328 1.441 10 0 CDAEHM CCc1nocc1CN1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000660471161 413150266 /nfs/dbraw/zinc/15/02/66/413150266.db2.gz RMGKNLZYVYSPBN-NSHDSACASA-N -1 3 276.344 1.115 10 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10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](O)CC2)o1 ZINC000334888957 150038665 /nfs/dbraw/zinc/03/86/65/150038665.db2.gz FJUGTINGLOJQAD-MGCOHNPYSA-N -1 3 259.327 1.170 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccn(C)n2)o1 ZINC000334894766 150045521 /nfs/dbraw/zinc/04/55/21/150045521.db2.gz GZMVGFQCONUSLB-SECBINFHSA-N -1 3 269.326 1.361 10 0 CDAEHM C[C@@H]1CC(C)(C)CN1C(=O)CNC(=O)c1cccc([O-])c1 ZINC000335200152 150399542 /nfs/dbraw/zinc/39/95/42/150399542.db2.gz HISBFKGLBXTERS-LLVKDONJSA-N -1 3 290.363 1.769 10 0 CDAEHM CN(C(=O)c1cc(F)c([O-])c(F)c1)[C@@H]1CN2CCC1CC2 ZINC000335814108 151042566 /nfs/dbraw/zinc/04/25/66/151042566.db2.gz MAWIZBMDKXTMKG-CYBMUJFWSA-N -1 3 296.317 1.837 10 0 CDAEHM CC(C)(C)c1ccc(NC(=O)[C@@H]2CCC(=O)N2)c([O-])c1 ZINC000335925777 151118416 /nfs/dbraw/zinc/11/84/16/151118416.db2.gz DPPNPSJLMOLEMI-NSHDSACASA-N -1 3 276.336 1.907 10 0 CDAEHM CC[C@@H]1CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000336428389 151525356 /nfs/dbraw/zinc/52/53/56/151525356.db2.gz BCTQCONLOMJEOV-GFCCVEGCSA-N -1 3 282.365 1.683 10 0 CDAEHM COc1cc(C(=O)N(C)[C@@H]2CCOC2)cc(OC)c1[O-] ZINC000343883405 152339483 /nfs/dbraw/zinc/33/94/83/152339483.db2.gz VDUQKQWQPMRHAE-SNVBAGLBSA-N -1 3 281.308 1.270 10 0 CDAEHM CCC(=O)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000344008192 152386892 /nfs/dbraw/zinc/38/68/92/152386892.db2.gz GQPLDSJPGVLZSY-UHFFFAOYSA-N -1 3 258.277 1.237 10 0 CDAEHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1c[nH]cn1 ZINC000347040638 153390178 /nfs/dbraw/zinc/39/01/78/153390178.db2.gz NAJZTLGHJDKOJA-NSHDSACASA-N -1 3 293.348 1.439 10 0 CDAEHM CC(=O)c1cc(C(=O)NCc2ncccc2[O-])cs1 ZINC000352211341 155025949 /nfs/dbraw/zinc/02/59/49/155025949.db2.gz KCOLVJYDZIQXSC-UHFFFAOYSA-N -1 3 276.317 1.981 10 0 CDAEHM CO[C@H]1CCC[C@H](C(=O)NCc2ncccc2[O-])C1 ZINC000352211327 155025955 /nfs/dbraw/zinc/02/59/55/155025955.db2.gz JWYNVHRTCGYGBA-QWRGUYRKSA-N -1 3 264.325 1.609 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CC[C@@]3(C2)CCCOC3)n1 ZINC000375290851 160362102 /nfs/dbraw/zinc/36/21/02/160362102.db2.gz DENLAZPLBPFAPE-OAHLLOKOSA-N -1 3 277.368 1.747 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1cccc2c1CC(=O)CC2 ZINC000356103542 157355941 /nfs/dbraw/zinc/35/59/41/157355941.db2.gz FFHKRIALTAUPAU-UHFFFAOYSA-N -1 3 296.326 1.775 10 0 CDAEHM O=C([N-]OCc1ccc(F)cc1)[C@@H]1C[C@@]12CCOC2 ZINC000372057964 160074449 /nfs/dbraw/zinc/07/44/49/160074449.db2.gz MDRBFHKAYXHSKP-GXTWGEPZSA-N -1 3 265.284 1.800 10 0 CDAEHM CC(C)[C@H](O)[C@H](N=c1ncnc2[nH][n-]cc1-2)c1ccccc1 ZINC000664533351 413467838 /nfs/dbraw/zinc/46/78/38/413467838.db2.gz ZGQKBLHNWHREKN-KGLIPLIRSA-N -1 3 297.362 1.897 10 0 CDAEHM [NH3+][C@H](Cc1ccc([O-])cc1Br)C(=O)[O-] ZINC000006092083 170175306 /nfs/dbraw/zinc/17/53/06/170175306.db2.gz UBPJIGYYLTZEDD-MRVPVSSYSA-N -1 3 260.087 1.109 10 0 CDAEHM Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)c(Cl)c1 ZINC000021510400 171310000 /nfs/dbraw/zinc/31/00/00/171310000.db2.gz ACXOCSSBJCCUCD-UHFFFAOYSA-N -1 3 288.678 1.763 10 0 CDAEHM NCc1cccc(S(=O)(=O)[N-]c2ccccn2)c1 ZINC000022174738 171370074 /nfs/dbraw/zinc/37/00/74/171370074.db2.gz OEFCUDAVJOORNG-UHFFFAOYSA-N -1 3 263.322 1.341 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CC[C@H](Cc2ccncc2)C1 ZINC000655393108 412168769 /nfs/dbraw/zinc/16/87/69/412168769.db2.gz XPVGERAMTTWJCC-CQSZACIVSA-N -1 3 297.358 1.816 10 0 CDAEHM Cc1cc(=O)[n-]c(C=Cc2cn(C3CCC3)nn2)n1 ZINC000656613018 413497404 /nfs/dbraw/zinc/49/74/04/413497404.db2.gz DZRIKZCLCQUWCG-WAYWQWQTSA-N -1 3 257.297 1.978 10 0 CDAEHM COc1ccc(NC(=O)CN[C@H](C)C(=O)[O-])cc1Cl ZINC000035387507 172169317 /nfs/dbraw/zinc/16/93/17/172169317.db2.gz DNDAJHNRJOOLPD-SSDOTTSWSA-N -1 3 286.715 1.350 10 0 CDAEHM C[C@H](NCC(=O)Nc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000035388418 172170238 /nfs/dbraw/zinc/17/02/38/172170238.db2.gz YCPFXFFMZGCAKS-LURJTMIESA-N -1 3 291.134 1.995 10 0 CDAEHM CCCCCNC(=O)[C@@H](C)N[C@@H](C(=O)[O-])C(C)C ZINC000035391033 172174813 /nfs/dbraw/zinc/17/48/13/172174813.db2.gz JTDPZHHRYZIYSV-GHMZBOCLSA-N -1 3 258.362 1.380 10 0 CDAEHM O=C([O-])[C@@H]1CCN(CCn2ccnc2)[C@H]2CCCC[C@@H]12 ZINC000656767040 413653117 /nfs/dbraw/zinc/65/31/17/413653117.db2.gz QJYVBVLGBZTGNB-MJBXVCDLSA-N -1 3 277.368 1.848 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C[C@H](C)c2ccccn2)c1 ZINC000657038366 413867532 /nfs/dbraw/zinc/86/75/32/413867532.db2.gz DVZHQUPJURRARY-NSHDSACASA-N -1 3 294.380 1.380 10 0 CDAEHM CC(C)(C)N1CC[C@H]1C[N-]S(=O)(=O)c1ccccn1 ZINC000657034383 413857194 /nfs/dbraw/zinc/85/71/94/413857194.db2.gz LSTZQQCRFUKGEH-NSHDSACASA-N -1 3 283.397 1.233 10 0 CDAEHM C[C@H]1CCCCN1CCNC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000663112527 413947421 /nfs/dbraw/zinc/94/74/21/413947421.db2.gz KVTSSTHSAKTBQO-NHYWBVRUSA-N -1 3 282.384 1.478 10 0 CDAEHM CCN1CCCC[C@H]1CNC(=O)[C@H](C(=O)[O-])C1CC1 ZINC000663112912 413949728 /nfs/dbraw/zinc/94/97/28/413949728.db2.gz CZHHEMKBTVMQAN-NWDGAFQWSA-N -1 3 268.357 1.088 10 0 CDAEHM Cc1ccncc1CC[N-]S(=O)(=O)c1cccs1 ZINC000657081747 413900764 /nfs/dbraw/zinc/90/07/64/413900764.db2.gz HVOQKVXTRSEKOP-UHFFFAOYSA-N -1 3 282.390 1.973 10 0 CDAEHM Cc1c(S(=O)(=O)[N-]C[C@]2(C)CC2(F)F)cnn1C ZINC000657158004 413983626 /nfs/dbraw/zinc/98/36/26/413983626.db2.gz YXWPKZBREACSBJ-VIFPVBQESA-N -1 3 279.312 1.052 10 0 CDAEHM Cc1nn(C)cc1S(=O)(=O)[N-]C[C@]1(C)CC1(F)F ZINC000657154915 413985544 /nfs/dbraw/zinc/98/55/44/413985544.db2.gz FHPYEUFLMKCHCH-VIFPVBQESA-N -1 3 279.312 1.052 10 0 CDAEHM O=C(N[C@@H]1CCc2cncn2C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000655071122 413998650 /nfs/dbraw/zinc/99/86/50/413998650.db2.gz VLCXSPRPZJBIEG-SNVBAGLBSA-N -1 3 299.334 1.001 10 0 CDAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C23CCC3)c1 ZINC000657189512 414024776 /nfs/dbraw/zinc/02/47/76/414024776.db2.gz UPLJMILEKJVCFM-WDEREUQCSA-N -1 3 299.396 1.046 10 0 CDAEHM CN[C@@](C)(C(=O)[O-])c1ccccc1Br ZINC000037180627 173013225 /nfs/dbraw/zinc/01/32/25/173013225.db2.gz KEYCKKUAZODYAJ-SNVBAGLBSA-N -1 3 258.115 1.968 10 0 CDAEHM CCN1CCC(NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000665301344 414044461 /nfs/dbraw/zinc/04/44/61/414044461.db2.gz VPGCNVVFVKUNPC-CYBMUJFWSA-N -1 3 297.399 1.271 10 0 CDAEHM COc1ccc([C@H](NC2CC2)C(=O)[O-])c(OC)c1 ZINC000037183664 173015996 /nfs/dbraw/zinc/01/59/96/173015996.db2.gz JIXBSPOFZXYQTE-LBPRGKRZSA-N -1 3 251.282 1.582 10 0 CDAEHM CN(CC(=O)c1cc(F)ccc1[O-])C1CCOCC1 ZINC000037339975 173141678 /nfs/dbraw/zinc/14/16/78/173141678.db2.gz CHSQOYYCXMCTHB-UHFFFAOYSA-N -1 3 267.300 1.825 10 0 CDAEHM C[C@@H]1C[C@H]1c1ccc(CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)o1 ZINC000665344784 414084320 /nfs/dbraw/zinc/08/43/20/414084320.db2.gz VAAQSHIQEDFOBR-QQHRNGFRSA-N -1 3 291.347 1.936 10 0 CDAEHM CCC[C@@H](C)CS(=O)(=O)[N-]Cc1cc(OC)no1 ZINC000660010202 414353989 /nfs/dbraw/zinc/35/39/89/414353989.db2.gz GQZJEOKACXJEIG-SECBINFHSA-N -1 3 276.358 1.539 10 0 CDAEHM COc1cc(C[N-]S(=O)(=O)CC2CCCCC2)on1 ZINC000660011165 414355390 /nfs/dbraw/zinc/35/53/90/414355390.db2.gz UKTSCGSDNKLMKE-UHFFFAOYSA-N -1 3 288.369 1.683 10 0 CDAEHM CC(C)C[C@H](N)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000040473762 174281580 /nfs/dbraw/zinc/28/15/80/174281580.db2.gz SQXYTSAIPJGYJI-VIFPVBQESA-N -1 3 268.288 1.836 10 0 CDAEHM CCC[C@@](C)(N)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000040479623 174283637 /nfs/dbraw/zinc/28/36/37/174283637.db2.gz SETRHCQYURVZMK-GFCCVEGCSA-N -1 3 256.346 1.408 10 0 CDAEHM CC(=O)Nc1ccc(NC(=O)[C@@H](N)C(C)C)c(C(=O)[O-])c1 ZINC000040479121 174283729 /nfs/dbraw/zinc/28/37/29/174283729.db2.gz MSAJTFOHJVJWRZ-LBPRGKRZSA-N -1 3 293.323 1.265 10 0 CDAEHM CSCC[C@H](N)C(=O)NCCCCCCC(=O)[O-] ZINC000040479873 174284254 /nfs/dbraw/zinc/28/42/54/174284254.db2.gz MATSVYXRODKEIR-JTQLQIEISA-N -1 3 276.402 1.218 10 0 CDAEHM CC(C)C[C@H](N)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000040479919 174284376 /nfs/dbraw/zinc/28/43/76/174284376.db2.gz GRHDEFZEUHIMEV-JTQLQIEISA-N -1 3 268.288 1.836 10 0 CDAEHM CCC1CCC(NC(=O)[C@@H]2CCCCN2)(C(=O)[O-])CC1 ZINC000040481385 174285169 /nfs/dbraw/zinc/28/51/69/174285169.db2.gz ORZNGKFOGZMKBN-AVERBVTBSA-N -1 3 282.384 1.668 10 0 CDAEHM C[C@@](N)(C(=O)N(CC(=O)[O-])c1ccc(Cl)cc1)C1CC1 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COCCS(=O)(=O)[N-]c1cc(Cl)ccc1N ZINC000042807407 174883241 /nfs/dbraw/zinc/88/32/41/174883241.db2.gz GSYIIWRJNZEHPN-UHFFFAOYSA-N -1 3 264.734 1.310 10 0 CDAEHM CC[C@@H](NC(=O)c1cc(OC)ccc1[O-])C(N)=S ZINC000043327842 175009787 /nfs/dbraw/zinc/00/97/87/175009787.db2.gz WYHRAEIWIQQKSN-SECBINFHSA-N -1 3 268.338 1.195 10 0 CDAEHM CC[C@@H](C)[C@H](NC(=O)NC[C@@H]1CCCCN1C)C(=O)[O-] ZINC000044565553 175208028 /nfs/dbraw/zinc/20/80/28/175208028.db2.gz HWTOZICATZHATJ-WOPDTQHZSA-N -1 3 285.388 1.269 10 0 CDAEHM C[C@@H](CNC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)N1CCCCC1 ZINC000045013270 175290321 /nfs/dbraw/zinc/29/03/21/175290321.db2.gz XBBWDNJLWUGFBK-RYUDHWBXSA-N -1 3 299.415 1.659 10 0 CDAEHM NC(=S)[C@@H]([N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000070665439 176000008 /nfs/dbraw/zinc/00/00/08/176000008.db2.gz TYKYEHPSAMVMDN-QMMMGPOBSA-N -1 3 276.408 1.091 10 0 CDAEHM C/C(C(=O)[O-])=C(\C)C(=O)N[C@@H](CN(C)C)C(C)C ZINC000071165688 176048341 /nfs/dbraw/zinc/04/83/41/176048341.db2.gz QQRBQHVBOKIPEC-JUDLJHIGSA-N -1 3 256.346 1.110 10 0 CDAEHM C[C@@H]1CCN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@H]1O ZINC000221896035 262320702 /nfs/dbraw/zinc/32/07/02/262320702.db2.gz NAKQJJWQXCGLEA-QMTHXVAHSA-N -1 3 286.331 1.371 10 0 CDAEHM CCc1cc(C(=O)NCC[C@@]2(O)CCOC2)ccc1[O-] ZINC000652801523 424223082 /nfs/dbraw/zinc/22/30/82/424223082.db2.gz OBCSYNCJVDMXIA-OAHLLOKOSA-N -1 3 279.336 1.226 10 0 CDAEHM C[C@H](C(=O)[O-])C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000122077864 424286343 /nfs/dbraw/zinc/28/63/43/424286343.db2.gz RHUIVWBGFJSVSQ-JQWIXIFHSA-N -1 3 264.325 1.126 10 0 CDAEHM Cc1n[nH]cc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000095311028 265301704 /nfs/dbraw/zinc/30/17/04/265301704.db2.gz OPCODPVHMZYVMC-UHFFFAOYSA-N -1 3 283.295 1.074 10 0 CDAEHM Cc1n[nH]cc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000095311028 265301710 /nfs/dbraw/zinc/30/17/10/265301710.db2.gz OPCODPVHMZYVMC-UHFFFAOYSA-N -1 3 283.295 1.074 10 0 CDAEHM O=C(NCCNC(=O)C1CCCC1)c1ccccc1[O-] ZINC000049023536 424350527 /nfs/dbraw/zinc/35/05/27/424350527.db2.gz SKXQWHJTGBXYPO-UHFFFAOYSA-N -1 3 276.336 1.428 10 0 CDAEHM Cc1noc(C)c1CC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000526961035 270651871 /nfs/dbraw/zinc/65/18/71/270651871.db2.gz JWPRJRAHJJFHKO-LBPRGKRZSA-N -1 3 290.323 1.469 10 0 CDAEHM O=C(NCCc1cccc2c1OC(F)(F)O2)c1c[n-]nn1 ZINC000529756569 271025790 /nfs/dbraw/zinc/02/57/90/271025790.db2.gz JZNLIKQXOBTYLB-UHFFFAOYSA-N -1 3 296.233 1.099 10 0 CDAEHM O=C(NCCc1cccc2c1OC(F)(F)O2)c1cnn[n-]1 ZINC000529756569 271025792 /nfs/dbraw/zinc/02/57/92/271025792.db2.gz JZNLIKQXOBTYLB-UHFFFAOYSA-N -1 3 296.233 1.099 10 0 CDAEHM O=C(NCCc1cccc2c1OC(F)(F)O2)c1cn[n-]n1 ZINC000529756569 271025794 /nfs/dbraw/zinc/02/57/94/271025794.db2.gz JZNLIKQXOBTYLB-UHFFFAOYSA-N -1 3 296.233 1.099 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000530075676 271098936 /nfs/dbraw/zinc/09/89/36/271098936.db2.gz KBUSAXOORLDCLH-GFCCVEGCSA-N -1 3 285.303 1.865 10 0 CDAEHM CC(C)OC[C@@H](O)CN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530164632 271119796 /nfs/dbraw/zinc/11/97/96/271119796.db2.gz BIIYQPWVMMUBCY-GXFFZTMASA-N -1 3 283.324 1.049 10 0 CDAEHM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(CO)ccc2F)C1 ZINC000530211815 271154697 /nfs/dbraw/zinc/15/46/97/271154697.db2.gz QRRQLDVUUAHFGY-ZWNOBZJWSA-N -1 3 281.327 1.861 10 0 CDAEHM CN(C)c1nc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)cc(=O)[n-]1 ZINC000408242411 276895710 /nfs/dbraw/zinc/89/57/10/276895710.db2.gz UJECIDPGCMFOEP-GHMZBOCLSA-N -1 3 290.367 1.510 10 0 CDAEHM C[C@H]1CCN(C(=O)[C@H]2CNC(=O)C2)c2c([O-])cccc21 ZINC000186258222 278361424 /nfs/dbraw/zinc/36/14/24/278361424.db2.gz SQRABVVVIGPRJA-VHSXEESVSA-N -1 3 274.320 1.369 10 0 CDAEHM COc1cccc(C(=O)N[C@@H]2C[C@@H](OC)C2(C)C)c1[O-] ZINC000227813685 280107349 /nfs/dbraw/zinc/10/73/49/280107349.db2.gz KQKBOBMWIOADHR-VXGBXAGGSA-N -1 3 279.336 1.944 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)o1 ZINC000528546634 281258460 /nfs/dbraw/zinc/25/84/60/281258460.db2.gz HCYHGFWJKQVFQA-GMOBBJLQSA-N -1 3 273.354 1.678 10 0 CDAEHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)[C@H]1CC12CCOCC2 ZINC000531372379 281753602 /nfs/dbraw/zinc/75/36/02/281753602.db2.gz FCTZTOOIHKNMJT-GFCCVEGCSA-N -1 3 298.346 1.649 10 0 CDAEHM C[C@H](Oc1cccc(CO)c1)C(=O)Nc1ncccc1[O-] ZINC000159158243 289327354 /nfs/dbraw/zinc/32/73/54/289327354.db2.gz QEIZSNLCGAKWIT-JTQLQIEISA-N -1 3 288.303 1.686 10 0 CDAEHM COc1cc(=NC(=O)CC[C@@H]2CCCCO2)[n-]n1C ZINC000547537620 289785117 /nfs/dbraw/zinc/78/51/17/289785117.db2.gz PRMOTTHTSTXYBR-JTQLQIEISA-N -1 3 267.329 1.138 10 0 CDAEHM COc1cc(=NC(=O)Cc2c[nH]c3cccc(C)c23)[n-]n1C ZINC000547817158 289812193 /nfs/dbraw/zinc/81/21/93/289812193.db2.gz ICGSDAVACNUZNP-UHFFFAOYSA-N -1 3 298.346 1.822 10 0 CDAEHM COc1cc(N[C@H](C)C(=O)[N-]c2cc(C)no2)nn1C ZINC000548467739 289891163 /nfs/dbraw/zinc/89/11/63/289891163.db2.gz STNCHJWBWFVLNY-MRVPVSSYSA-N -1 3 279.300 1.164 10 0 CDAEHM CC(=O)c1cccc(NC(=O)Cc2cncnc2)c1[O-] ZINC000552288296 290063874 /nfs/dbraw/zinc/06/38/74/290063874.db2.gz MWNJFVWSPJSQDF-UHFFFAOYSA-N -1 3 271.276 1.566 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)CO[C@@H](C)c2nccn2C)n1 ZINC000554596415 290180975 /nfs/dbraw/zinc/18/09/75/290180975.db2.gz JLTUQNRJMZLBHC-JTQLQIEISA-N -1 3 290.323 1.545 10 0 CDAEHM CCCSCC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000555533248 290222965 /nfs/dbraw/zinc/22/29/65/290222965.db2.gz DDEJBRBBUGKVRI-SECBINFHSA-N -1 3 283.401 1.034 10 0 CDAEHM COCC(C)(C)CCCNC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000558414577 290391977 /nfs/dbraw/zinc/39/19/77/290391977.db2.gz OJLFFEADNAYLNW-UHFFFAOYSA-N -1 3 298.387 1.425 10 0 CDAEHM O=C(N=c1cc2ccccn2[n-]1)NCC[C@@H]1CCOC1 ZINC000558463817 290396776 /nfs/dbraw/zinc/39/67/76/290396776.db2.gz LIZBDGAQWBYHDI-LLVKDONJSA-N -1 3 274.324 1.304 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CC2CC(C)(C)C2)nc1=N ZINC000565544853 293634104 /nfs/dbraw/zinc/63/41/04/293634104.db2.gz VTRSTKHCYFQPKW-NSHDSACASA-N -1 3 291.399 1.717 10 0 CDAEHM CC(C)CCNC(=O)[C@H](C)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000568510688 294049802 /nfs/dbraw/zinc/04/98/02/294049802.db2.gz BLTXTHGQRIWWQR-AGIUHOORSA-N -1 3 284.400 1.580 10 0 CDAEHM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000338884884 297375233 /nfs/dbraw/zinc/37/52/33/297375233.db2.gz TZYPVGZWCUWXRT-OUAUKWLOSA-N -1 3 292.383 1.755 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000367731872 304548966 /nfs/dbraw/zinc/54/89/66/304548966.db2.gz YDZJXJYRGMAIIU-KGLIPLIRSA-N -1 3 277.320 1.412 10 0 CDAEHM O=C(NCc1ncccc1[O-])NC[C@@H]1Cc2ccccc2O1 ZINC000349422241 316123655 /nfs/dbraw/zinc/12/36/55/316123655.db2.gz HQXPYNBYXXTDNR-LBPRGKRZSA-N -1 3 299.330 1.590 10 0 CDAEHM CC[C@H](NC(=O)c1cccc2nn[n-]c21)[C@@H](O)C(F)F ZINC000563597617 316338019 /nfs/dbraw/zinc/33/80/19/316338019.db2.gz VEDRPQQBYBMWRK-OIBJUYFYSA-N -1 3 284.266 1.092 10 0 CDAEHM CC[C@H](NC(=O)c1cccc2[n-]nnc21)[C@@H](O)C(F)F ZINC000563597617 316338020 /nfs/dbraw/zinc/33/80/20/316338020.db2.gz VEDRPQQBYBMWRK-OIBJUYFYSA-N -1 3 284.266 1.092 10 0 CDAEHM CC[C@H](NC(=O)c1cccc2n[n-]nc21)[C@@H](O)C(F)F ZINC000563597617 316338023 /nfs/dbraw/zinc/33/80/23/316338023.db2.gz VEDRPQQBYBMWRK-OIBJUYFYSA-N -1 3 284.266 1.092 10 0 CDAEHM CCC(C)(C)NC(=O)[C@H](C)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000563711545 316359756 /nfs/dbraw/zinc/35/97/56/316359756.db2.gz BCNJBIZSYIKWJU-WOPDTQHZSA-N -1 3 284.400 1.722 10 0 CDAEHM O=S(=O)(CCC1CCC1)[N-]Cc1noc(C2CC2)n1 ZINC000577247920 317293583 /nfs/dbraw/zinc/29/35/83/317293583.db2.gz ORZOKORCMISKMN-UHFFFAOYSA-N -1 3 285.369 1.557 10 0 CDAEHM C[C@]1(C[N-]S(=O)(=O)c2cscn2)CCCC[C@H]1O ZINC000577487808 317339135 /nfs/dbraw/zinc/33/91/35/317339135.db2.gz HZWIGWXVCCIEJA-MWLCHTKSSA-N -1 3 290.410 1.363 10 0 CDAEHM CC[C@H]1CN(C(=O)N=c2cc(OC)n(C)[n-]2)C[C@H](CC)O1 ZINC000578875119 324044387 /nfs/dbraw/zinc/04/43/87/324044387.db2.gz YWXIMADZGLHBPF-QWRGUYRKSA-N -1 3 296.371 1.272 10 0 CDAEHM Cc1noc([N-]C(=O)COCc2ccnn2C)c1C ZINC000578985605 324072875 /nfs/dbraw/zinc/07/28/75/324072875.db2.gz DFRPNRITUIWZMT-UHFFFAOYSA-N -1 3 264.285 1.180 10 0 CDAEHM 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/nfs/dbraw/zinc/98/75/26/341987526.db2.gz LHLBBFGTKMNSDJ-PSASIEDQSA-N -1 3 292.314 1.784 10 0 CDAEHM CCOC(=O)c1c[n-]nc1NC(=O)c1cccc(F)c1 ZINC000082283001 177944497 /nfs/dbraw/zinc/94/44/97/177944497.db2.gz LZDNJKLQSZHCMS-UHFFFAOYSA-N -1 3 277.255 1.978 10 0 CDAEHM COC(=O)[C@](C)(CCF)NC(=O)c1ccccc1[O-] ZINC000598274782 398191962 /nfs/dbraw/zinc/19/19/62/398191962.db2.gz HLTVTADJVBMOCK-ZDUSSCGKSA-N -1 3 269.272 1.413 10 0 CDAEHM Cc1ccc(Cl)cc1NC(=O)[C@@H](N)CC(=O)[O-] ZINC000082566846 178096799 /nfs/dbraw/zinc/09/67/99/178096799.db2.gz MHPBKTNUSVQFMT-QMMMGPOBSA-N -1 3 256.689 1.389 10 0 CDAEHM COc1ccc(C(=O)N2C[C@@H]3COC[C@@]3(C)C2)c([O-])c1 ZINC000618722330 349517073 /nfs/dbraw/zinc/51/70/73/349517073.db2.gz MIAPLTHIADCFHL-MEBBXXQBSA-N -1 3 277.320 1.509 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCOC2)c(F)c1F ZINC000624958253 342023919 /nfs/dbraw/zinc/02/39/19/342023919.db2.gz NPCRASBXTKOCBC-VIFPVBQESA-N -1 3 291.319 1.731 10 0 CDAEHM CCC(CC)(CNC(=O)[C@H]1NCCCC1(C)C)C(=O)[O-] ZINC000232933193 342035029 /nfs/dbraw/zinc/03/50/29/342035029.db2.gz RLXGQQVAEJRGPL-LLVKDONJSA-N -1 3 284.400 1.772 10 0 CDAEHM CC1(C)CCCN[C@@H]1C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000232792366 342032782 /nfs/dbraw/zinc/03/27/82/342032782.db2.gz VUJSNIMGPHOUPY-WCQYABFASA-N -1 3 282.384 1.478 10 0 CDAEHM Cc1cc(C(=O)N(C)C[C@@H]2CCS(=O)(=O)C2)ccc1[O-] ZINC000354742028 365658270 /nfs/dbraw/zinc/65/82/70/365658270.db2.gz TXTOWCWUEQZMAV-NSHDSACASA-N -1 3 297.376 1.207 10 0 CDAEHM CSc1ccc([O-])c(C(=O)N2CN(C)C(=O)[C@H]2C)c1 ZINC000616498654 342112103 /nfs/dbraw/zinc/11/21/03/342112103.db2.gz PBMDUAHGGOISRA-MRVPVSSYSA-N -1 3 280.349 1.374 10 0 CDAEHM Cc1cc(C(=O)NCC(O)(C2CC2)C2CC2)ccc1[O-] ZINC000619031618 349592873 /nfs/dbraw/zinc/59/28/73/349592873.db2.gz WRIYBDZGPKOSMC-UHFFFAOYSA-N -1 3 275.348 1.982 10 0 CDAEHM CC[C@@H](CNC(=O)c1cc(OC)ccc1[O-])C(=O)OC ZINC000592870755 342742139 /nfs/dbraw/zinc/74/21/39/342742139.db2.gz PCEPHMGOTZXAQP-VIFPVBQESA-N -1 3 281.308 1.330 10 0 CDAEHM C/C=C/C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000625556326 342187023 /nfs/dbraw/zinc/18/70/23/342187023.db2.gz GZSMBOKLSYQFFO-HMDXOVGESA-N -1 3 269.370 1.635 10 0 CDAEHM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)CCC1CCC1 ZINC000594863629 342965191 /nfs/dbraw/zinc/96/51/91/342965191.db2.gz BUOVLQTWQASJGS-GFCCVEGCSA-N -1 3 295.376 1.387 10 0 CDAEHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccccn1 ZINC000133345015 342300963 /nfs/dbraw/zinc/30/09/63/342300963.db2.gz QPMITAPYACZYCC-JTQLQIEISA-N -1 3 298.389 1.463 10 0 CDAEHM O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1c[n-]nn1 ZINC000108453179 349740297 /nfs/dbraw/zinc/74/02/97/349740297.db2.gz RWPQZOWLKLRVHI-BQBZGAKWSA-N -1 3 262.235 1.656 10 0 CDAEHM O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cnn[n-]1 ZINC000108453179 349740300 /nfs/dbraw/zinc/74/03/00/349740300.db2.gz RWPQZOWLKLRVHI-BQBZGAKWSA-N -1 3 262.235 1.656 10 0 CDAEHM O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cn[n-]n1 ZINC000108453179 349740302 /nfs/dbraw/zinc/74/03/02/349740302.db2.gz RWPQZOWLKLRVHI-BQBZGAKWSA-N -1 3 262.235 1.656 10 0 CDAEHM O=C(CNC(=O)c1ccc([O-])cc1)NCCCC1CC1 ZINC000077027468 342326597 /nfs/dbraw/zinc/32/65/97/342326597.db2.gz KXRMCEAMSNNOHA-UHFFFAOYSA-N -1 3 276.336 1.428 10 0 CDAEHM COC(=O)c1ccc(CN(CC(=O)[O-])CC(C)(C)C)nc1 ZINC000595888679 343181120 /nfs/dbraw/zinc/18/11/20/343181120.db2.gz ZLNXLTZYAJYKFH-UHFFFAOYSA-N -1 3 294.351 1.801 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCC[C@@](O)(C2CC2)C1 ZINC000618284028 342355589 /nfs/dbraw/zinc/35/55/89/342355589.db2.gz OQWQTRXIBRCNGP-HNNXBMFYSA-N -1 3 261.321 1.769 10 0 CDAEHM CCOC(=O)c1ccc(NC(=O)Cn2ccnc2)c([O-])c1 ZINC000092551974 342356733 /nfs/dbraw/zinc/35/67/33/342356733.db2.gz IRJVIQLIHAAJLQ-UHFFFAOYSA-N -1 3 289.291 1.404 10 0 CDAEHM Cc1nnc(-c2csc(S(=O)(=O)[N-]C(C)C)c2)o1 ZINC000065098557 362122485 /nfs/dbraw/zinc/12/24/85/362122485.db2.gz FGKNIUNUMRQELZ-UHFFFAOYSA-N -1 3 287.366 1.793 10 0 CDAEHM O=C(Nc1ccccc1[O-])[C@H](O)C1CCOCC1 ZINC000535354923 282253245 /nfs/dbraw/zinc/25/32/45/282253245.db2.gz LMHHAQPGYFYIOQ-GFCCVEGCSA-N -1 3 251.282 1.118 10 0 CDAEHM CCC(CC)(C[N-]S(=O)(=O)c1cscn1)OC ZINC000571280242 362231714 /nfs/dbraw/zinc/23/17/14/362231714.db2.gz HQVWBZJKHNWFLS-UHFFFAOYSA-N -1 3 278.399 1.627 10 0 CDAEHM COc1nnc(NC(=O)c2cccc3cccnc32)[n-]1 ZINC000158874006 362266203 /nfs/dbraw/zinc/26/62/03/362266203.db2.gz MMFVWLMINHQBCF-UHFFFAOYSA-N -1 3 269.264 1.614 10 0 CDAEHM COc1nc(NC(=O)c2cccc3cccnc32)n[n-]1 ZINC000158874006 362266211 /nfs/dbraw/zinc/26/62/11/362266211.db2.gz MMFVWLMINHQBCF-UHFFFAOYSA-N -1 3 269.264 1.614 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cccc3cccnc32)n1 ZINC000158874006 362266213 /nfs/dbraw/zinc/26/62/13/362266213.db2.gz MMFVWLMINHQBCF-UHFFFAOYSA-N -1 3 269.264 1.614 10 0 CDAEHM C/C=C\C[N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000599475087 344062697 /nfs/dbraw/zinc/06/26/97/344062697.db2.gz GJHQLGCMYXUJBK-ARJAWSKDSA-N -1 3 287.312 1.467 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)[C@@H]2C[C@@H](C)O[C@H]2C)[n-]1 ZINC000601530475 344190249 /nfs/dbraw/zinc/19/02/49/344190249.db2.gz URUPFPRGSZEPFD-HRDYMLBCSA-N -1 3 281.312 1.338 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)[C@@H]2C[C@@H](C)O[C@H]2C)c[n-]1 ZINC000601530475 344190252 /nfs/dbraw/zinc/19/02/52/344190252.db2.gz URUPFPRGSZEPFD-HRDYMLBCSA-N -1 3 281.312 1.338 10 0 CDAEHM O=C(N[C@@H]1CCCC[C@@H]1O)c1c([O-])cccc1O ZINC000092125459 295719845 /nfs/dbraw/zinc/71/98/45/295719845.db2.gz QVEPXFZVTVGKIK-BDAKNGLRSA-N -1 3 251.282 1.131 10 0 CDAEHM Cc1nnc(C[S@@](=O)c2ccc([O-])cc2)n1C1CC1 ZINC000194528317 362466091 /nfs/dbraw/zinc/46/60/91/362466091.db2.gz OSQDHIWOZYAVMK-LJQANCHMSA-N -1 3 277.349 1.935 10 0 CDAEHM C(Cc1nnn[n-]1)SCc1nc(C2CCC2)no1 ZINC000603345062 344774499 /nfs/dbraw/zinc/77/44/99/344774499.db2.gz XJFLEXOBQYWKKG-UHFFFAOYSA-N -1 3 266.330 1.326 10 0 CDAEHM C(Cc1nn[n-]n1)SCc1nc(C2CCC2)no1 ZINC000603345062 344774501 /nfs/dbraw/zinc/77/45/01/344774501.db2.gz XJFLEXOBQYWKKG-UHFFFAOYSA-N -1 3 266.330 1.326 10 0 CDAEHM CCc1ccc(C(=O)NC[C@H](OC)[C@H]2CCOC2)c([O-])c1 ZINC000617133720 344917948 /nfs/dbraw/zinc/91/79/48/344917948.db2.gz YZEHTKZZZLXAPB-WFASDCNBSA-N -1 3 293.363 1.736 10 0 CDAEHM Cc1ccc(C(=O)N2CC[C@@H](Cn3ccnn3)C2)c([O-])c1 ZINC000617258373 345076364 /nfs/dbraw/zinc/07/63/64/345076364.db2.gz GZBUKYNMUIAYTB-GFCCVEGCSA-N -1 3 286.335 1.454 10 0 CDAEHM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000398790444 345584601 /nfs/dbraw/zinc/58/46/01/345584601.db2.gz KDSZIAKHCKTKOI-UTUOFQBUSA-N -1 3 282.384 1.334 10 0 CDAEHM O=C(Nc1ccc([O-])c(F)c1)[C@H]1CSC(=O)N1 ZINC000085200507 178969531 /nfs/dbraw/zinc/96/95/31/178969531.db2.gz VGAXFDJNOCHVGU-SSDOTTSWSA-N -1 3 256.258 1.295 10 0 CDAEHM COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1cccc([O-])c1 ZINC000274796925 365809048 /nfs/dbraw/zinc/80/90/48/365809048.db2.gz NREOCXAHBFVZFC-GWCFXTLKSA-N -1 3 277.320 1.806 10 0 CDAEHM COC[C@](C)(O)CCNCc1cccc([O-])c1Cl ZINC000449387595 362681616 /nfs/dbraw/zinc/68/16/16/362681616.db2.gz XWRDTIXIPNLQPX-CYBMUJFWSA-N -1 3 273.760 1.923 10 0 CDAEHM C[C@H](N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1nn[n-]n1 ZINC000085675855 179112320 /nfs/dbraw/zinc/11/23/20/179112320.db2.gz IKULLTHWNGOYLY-QEYWKRMJSA-N -1 3 251.334 1.054 10 0 CDAEHM C[C@H](N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1nnn[n-]1 ZINC000085675855 179112322 /nfs/dbraw/zinc/11/23/22/179112322.db2.gz IKULLTHWNGOYLY-QEYWKRMJSA-N -1 3 251.334 1.054 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)Nc1c2ncsc2ccc1Cl ZINC000085812599 179178739 /nfs/dbraw/zinc/17/87/39/179178739.db2.gz KYKFJYIHGQVVIY-ZCFIWIBFSA-N -1 3 299.739 1.690 10 0 CDAEHM C[C@@H](Cc1ccccc1Cl)NC(=O)[C@@H](N)CC(=O)[O-] ZINC000085812712 179178744 /nfs/dbraw/zinc/17/87/44/179178744.db2.gz ZOKLAHWRGVPWSH-KWQFWETISA-N -1 3 284.743 1.189 10 0 CDAEHM C[C@H](Cc1ccccc1Cl)NC(=O)[C@@H](N)CC(=O)[O-] ZINC000085812716 179178201 /nfs/dbraw/zinc/17/82/01/179178201.db2.gz ZOKLAHWRGVPWSH-KCJUWKMLSA-N -1 3 284.743 1.189 10 0 CDAEHM CC[C@@H](C)c1ccc(NC(=O)[C@H](N)CC(=O)[O-])cc1 ZINC000085812863 179178316 /nfs/dbraw/zinc/17/83/16/179178316.db2.gz AWAAKEKFYBXMPB-BXKDBHETSA-N -1 3 264.325 1.941 10 0 CDAEHM C[C@@H](NC(=O)[C@@H](N)CCC(=O)[O-])c1ccsc1 ZINC000085844451 179185716 /nfs/dbraw/zinc/18/57/16/179185716.db2.gz RLSDBGHNOHPKCK-APPZFPTMSA-N -1 3 256.327 1.117 10 0 CDAEHM CN(C(=O)[C@@H](N)CC(=O)[O-])[C@H]1CCCc2ccccc21 ZINC000085815456 179178993 /nfs/dbraw/zinc/17/89/93/179178993.db2.gz KFNDYBFRSVLSRJ-STQMWFEESA-N -1 3 276.336 1.324 10 0 CDAEHM CCC1CCC(CNC(=O)[C@@H](N)CC(=O)[O-])CC1 ZINC000085816829 179180015 /nfs/dbraw/zinc/18/00/15/179180015.db2.gz URNWGXXGPKVNHQ-ILDUYXDCSA-N -1 3 256.346 1.121 10 0 CDAEHM CCc1ccc([C@H](NC(=O)[C@@H](N)CC(=O)[O-])C(C)C)cc1 ZINC000085817375 179180428 /nfs/dbraw/zinc/18/04/28/179180428.db2.gz DXOHJVYOMDUVLK-DZGCQCFKSA-N -1 3 292.379 1.864 10 0 CDAEHM Cc1ccc([C@H](C)N(C)C(=O)[C@H](N)CC(=O)[O-])cc1 ZINC000085815913 179180544 /nfs/dbraw/zinc/18/05/44/179180544.db2.gz WJTSCBRUSNCHBI-CMPLNLGQSA-N -1 3 264.325 1.316 10 0 CDAEHM CCc1ccc(CN2CC[C@@](COC)(C(=O)[O-])C2)o1 ZINC000311850960 362789966 /nfs/dbraw/zinc/78/99/66/362789966.db2.gz IPFOGXDJLARVDP-CQSZACIVSA-N -1 3 267.325 1.765 10 0 CDAEHM O=c1nc(CNC[C@@H]2CCCC[C@@H]2O)[n-]c2ccsc21 ZINC000085986299 179211915 /nfs/dbraw/zinc/21/19/15/179211915.db2.gz MCECYQDHNVHGFC-ONGXEEELSA-N -1 3 293.392 1.625 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)c2cc(C)nc(C)n2)n1 ZINC000352093939 362845839 /nfs/dbraw/zinc/84/58/39/362845839.db2.gz VQDIAOPCBOJDOU-UHFFFAOYSA-N -1 3 258.281 1.755 10 0 CDAEHM CC1(C)CCC[C@](O)(C(=O)NCc2ncccc2[O-])C1 ZINC000614254958 348059502 /nfs/dbraw/zinc/05/95/02/348059502.db2.gz MNOCOYJEJHKJFZ-OAHLLOKOSA-N -1 3 278.352 1.735 10 0 CDAEHM CC(C)[C@H]1C[C@@H]1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614914978 348270298 /nfs/dbraw/zinc/27/02/98/348270298.db2.gz JWFWBYVLHCXJNC-MNOVXSKESA-N -1 3 251.330 1.051 10 0 CDAEHM O=C(NCC1CSC1)c1c[n-]c2ccccc2c1=O ZINC000616063612 349276786 /nfs/dbraw/zinc/27/67/86/349276786.db2.gz JTDDJQORFWWWRG-UHFFFAOYSA-N -1 3 274.345 1.621 10 0 CDAEHM CCc1cc(C(=O)N2CCc3nccnc3C2)ccc1[O-] ZINC000620418779 350174982 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C[C@H]([N-]S(=O)(=O)c1ccccc1C#N)C(F)F ZINC000390379414 351353595 /nfs/dbraw/zinc/35/35/95/351353595.db2.gz XCJBJRBKARGDOX-ZETCQYMHSA-N -1 3 260.265 1.490 10 0 CDAEHM CO[C@@](C)(C(=O)Nc1cc(-c2nccn2C)[n-]n1)C1CC1 ZINC000291965722 198119716 /nfs/dbraw/zinc/11/97/16/198119716.db2.gz RYKPQSOMOADICM-CQSZACIVSA-N -1 3 289.339 1.564 10 0 CDAEHM CO[C@@](C)(C(=O)Nc1cc(-c2nccn2C)n[n-]1)C1CC1 ZINC000291965722 198119718 /nfs/dbraw/zinc/11/97/18/198119718.db2.gz RYKPQSOMOADICM-CQSZACIVSA-N -1 3 289.339 1.564 10 0 CDAEHM Cc1cc(C(=O)N2CC[C@@H](CO)C[C@H]2C)ccc1[O-] ZINC000629675936 363325223 /nfs/dbraw/zinc/32/52/23/363325223.db2.gz JAZQQVZFRIILBC-VXGBXAGGSA-N -1 3 263.337 1.934 10 0 CDAEHM CCO[N-]C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000273574361 192210675 /nfs/dbraw/zinc/21/06/75/192210675.db2.gz CVSIOZKLTZQDNN-UHFFFAOYSA-N -1 3 251.242 1.091 10 0 CDAEHM O=c1[n-]c(CN2CC[C@H](CO)C2)nc2c3ccccc3oc21 ZINC000304414420 538441095 /nfs/dbraw/zinc/44/10/95/538441095.db2.gz BVPDBKWJBBQQTH-JTQLQIEISA-N -1 3 299.330 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CCCn1c(=O)[n-]nc1SCC(=O)CC1CC1 ZINC000447295677 250355455 /nfs/dbraw/zinc/35/54/55/250355455.db2.gz PZWILTVOPNPMEQ-UHFFFAOYSA-N -1 3 255.343 1.855 10 0 CDAEHM C[C@@H](C[N-]S(=O)(=O)c1c[nH]cn1)C1CCCCC1 ZINC000660080299 412912219 /nfs/dbraw/zinc/91/22/19/412912219.db2.gz GOYSQPLFKZAYNF-JTQLQIEISA-N -1 3 271.386 1.904 10 0 CDAEHM CCC[C@](C)(CO)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000344469679 379655843 /nfs/dbraw/zinc/65/58/43/379655843.db2.gz GBZSRQXNXGGWIC-MRXNPFEDSA-N -1 3 288.347 1.809 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2CCCSCC2)n1 ZINC000279041772 194261064 /nfs/dbraw/zinc/26/10/64/194261064.db2.gz GBIIPFWGKPJKLR-JTQLQIEISA-N -1 3 253.371 1.991 10 0 CDAEHM C[C@@H](CN1CCOCC1)N(C)C(=O)c1cccc([O-])c1 ZINC000279280312 194366558 /nfs/dbraw/zinc/36/65/58/194366558.db2.gz KKQGHOZJDAXRHA-LBPRGKRZSA-N -1 3 278.352 1.185 10 0 CDAEHM Cc1cccc2c1O[C@H](C(=O)NCc1ncccc1[O-])C2 ZINC000451348939 251687354 /nfs/dbraw/zinc/68/73/54/251687354.db2.gz YGCOPSOAKOFRKC-AWEZNQCLSA-N -1 3 284.315 1.716 10 0 CDAEHM 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/nfs/dbraw/zinc/27/98/56/391279856.db2.gz OMNLKEXILSBFKV-UHFFFAOYSA-N -1 3 296.419 1.308 10 0 CDAEHM CCC(CC)[C@@H](C)C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000411102255 391384257 /nfs/dbraw/zinc/38/42/57/391384257.db2.gz BKSMEZXIQPGNPS-MRVPVSSYSA-N -1 3 293.371 1.708 10 0 CDAEHM CCC(CC)[C@@H](C)C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000411102255 391384260 /nfs/dbraw/zinc/38/42/60/391384260.db2.gz BKSMEZXIQPGNPS-MRVPVSSYSA-N -1 3 293.371 1.708 10 0 CDAEHM CCC(CC)[C@@H](C)C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000411102255 391384261 /nfs/dbraw/zinc/38/42/61/391384261.db2.gz BKSMEZXIQPGNPS-MRVPVSSYSA-N -1 3 293.371 1.708 10 0 CDAEHM Cc1cccc2c(=O)c(C(=O)NCc3ccnn3C)c[n-]c12 ZINC000162031055 391614433 /nfs/dbraw/zinc/61/44/33/391614433.db2.gz FDSSOJUPHCEEJY-UHFFFAOYSA-N -1 3 296.330 1.912 10 0 CDAEHM Cc1ccc(C)c(CN[C@H](C(=O)[O-])c2cnn(C)c2)c1 ZINC000417599442 391693753 /nfs/dbraw/zinc/69/37/53/391693753.db2.gz OYVCPJKRQSODAH-AWEZNQCLSA-N -1 3 273.336 1.952 10 0 CDAEHM Cc1cnc(N)c(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)c1 ZINC000341897241 130139448 /nfs/dbraw/zinc/13/94/48/130139448.db2.gz KHSTWPLSKYDVTO-LURJTMIESA-N -1 3 283.275 1.201 10 0 CDAEHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1cscn1 ZINC000516179008 391808852 /nfs/dbraw/zinc/80/88/52/391808852.db2.gz SYBCBESYDVLTFR-NSHDSACASA-N -1 3 298.389 1.463 10 0 CDAEHM CC(F)(F)CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000429814831 391884387 /nfs/dbraw/zinc/88/43/87/391884387.db2.gz XHPUOSPGLPTAIC-UHFFFAOYSA-N -1 3 281.266 1.774 10 0 CDAEHM CC(F)(F)CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000429814831 391884388 /nfs/dbraw/zinc/88/43/88/391884388.db2.gz XHPUOSPGLPTAIC-UHFFFAOYSA-N -1 3 281.266 1.774 10 0 CDAEHM COC(=O)c1cc(C(=O)[N-]c2cc(Cl)ccn2)no1 ZINC000438918838 391981150 /nfs/dbraw/zinc/98/11/50/391981150.db2.gz LILCPOJZYQXIAR-UHFFFAOYSA-N -1 3 281.655 1.762 10 0 CDAEHM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)[N-]c1cnns1 ZINC000429669347 392077986 /nfs/dbraw/zinc/07/79/86/392077986.db2.gz FQDJNSPQTCNQNM-UWVGGRQHSA-N -1 3 296.396 1.808 10 0 CDAEHM CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cccc(OC)c1[O-] ZINC000439498165 392080466 /nfs/dbraw/zinc/08/04/66/392080466.db2.gz MHFUDSALDARMKZ-BMIGLBTASA-N -1 3 281.352 1.928 10 0 CDAEHM CC[C@H]1C[C@@H](NC(=O)c2c([O-])cccc2O)CCO1 ZINC000422111200 392230393 /nfs/dbraw/zinc/23/03/93/392230393.db2.gz GSJIESFWQODZHY-UWVGGRQHSA-N -1 3 265.309 1.785 10 0 CDAEHM COC(=O)c1cnc(SCc2ncccn2)[n-]1 ZINC000432663071 392251545 /nfs/dbraw/zinc/25/15/45/392251545.db2.gz DNGKXGQCHRKFGI-UHFFFAOYSA-N -1 3 250.283 1.279 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2C(=O)[C@H]2CCCC23CC3)nc1=N ZINC000529264940 392294080 /nfs/dbraw/zinc/29/40/80/392294080.db2.gz JAZHWYRVWCPBPO-GHMZBOCLSA-N -1 3 289.383 1.471 10 0 CDAEHM COc1cccc(CN(C)CCOCC(=O)[O-])c1 ZINC000568061974 392349417 /nfs/dbraw/zinc/34/94/17/392349417.db2.gz YUHHNGXLSKEQKT-UHFFFAOYSA-N -1 3 253.298 1.228 10 0 CDAEHM CCOC[C@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000489052921 392460574 /nfs/dbraw/zinc/46/05/74/392460574.db2.gz PLYJBFSVBCKKGQ-VIFPVBQESA-N -1 3 270.304 1.756 10 0 CDAEHM COCCCn1c(=O)[n-]nc1S[C@@H](C(C)=O)C(C)C ZINC000574276080 392559427 /nfs/dbraw/zinc/55/94/27/392559427.db2.gz FIOJIPSBZYDCGH-SNVBAGLBSA-N -1 3 287.385 1.726 10 0 CDAEHM Cc1ccc([O-])c(C(=O)NCC(C)(C)[C@@]2(O)CCOC2)c1 ZINC000649094819 392747522 /nfs/dbraw/zinc/74/75/22/392747522.db2.gz IAJBCNZYSYSCBC-MRXNPFEDSA-N -1 3 293.363 1.608 10 0 CDAEHM CSc1nsc([N-]C(=O)c2cn(C(C)C)nn2)n1 ZINC000449231404 392719017 /nfs/dbraw/zinc/71/90/17/392719017.db2.gz OYURFBUASVJNNE-UHFFFAOYSA-N -1 3 284.370 1.685 10 0 CDAEHM C[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)CCC1=O ZINC000517015881 392811880 /nfs/dbraw/zinc/81/18/80/392811880.db2.gz KUXZILGGZNDVCM-SECBINFHSA-N -1 3 261.325 1.471 10 0 CDAEHM CCCN(CC(=O)OC)Cc1nc(C)ccc1[O-] ZINC000269342898 132157870 /nfs/dbraw/zinc/15/78/70/132157870.db2.gz HAQXUENIEJABLL-UHFFFAOYSA-N -1 3 252.314 1.481 10 0 CDAEHM Cc1ccn2c(c1)nnc2NC(=O)c1ccc2n[n-]nc2c1 ZINC000131114297 393000897 /nfs/dbraw/zinc/00/08/97/393000897.db2.gz AWVDGXTUALTURB-UHFFFAOYSA-N -1 3 293.290 1.561 10 0 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CDAEHM Cc1ccc(C(=O)NCCC(=O)NC[C@H]2C[C@@H]2C)c([O-])c1 ZINC000263979754 131372918 /nfs/dbraw/zinc/37/29/18/131372918.db2.gz YZHJPINSSATEHJ-NWDGAFQWSA-N -1 3 290.363 1.593 10 0 CDAEHM O=C(NCC1CCCCC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000264354488 131437791 /nfs/dbraw/zinc/43/77/91/131437791.db2.gz ZQLTYQOYRRWLRB-UHFFFAOYSA-N -1 3 286.331 1.880 10 0 CDAEHM C[C@@H]1CCN(CC(=O)NCC2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000574322785 392570659 /nfs/dbraw/zinc/57/06/59/392570659.db2.gz UGUHUOWDDHIHGP-OCCSQVGLSA-N -1 3 296.411 1.726 10 0 CDAEHM O=C(N=c1cc[nH][nH]1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646753080 392736608 /nfs/dbraw/zinc/73/66/08/392736608.db2.gz HKPYDIGEGIMTDG-UHFFFAOYSA-N -1 3 271.198 1.808 10 0 CDAEHM Cc1ccc(C(=O)NC2COCCOC2)c([O-])c1C ZINC000646805603 392828449 /nfs/dbraw/zinc/82/84/49/392828449.db2.gz CJFYFBCYIFCDHQ-UHFFFAOYSA-N -1 3 265.309 1.154 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)C2=CCCC2)nc1=N ZINC000517381012 392881598 /nfs/dbraw/zinc/88/15/98/392881598.db2.gz HQVLKLZTXRTPHP-JTQLQIEISA-N -1 3 261.329 1.001 10 0 CDAEHM CN(Cc1cc(=O)[n-]c(C2CC2)n1)C[C@@H]1CCCO1 ZINC000459298718 393070385 /nfs/dbraw/zinc/07/03/85/393070385.db2.gz KFEHEMGVFPFKPI-LBPRGKRZSA-N -1 3 263.341 1.670 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CCc2ncncc2C1 ZINC000649228435 393123300 /nfs/dbraw/zinc/12/33/00/393123300.db2.gz PHICUFXXEKKVPX-NSHDSACASA-N -1 3 299.378 1.797 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cc(N(C)C)ccn1 ZINC000649231987 393127776 /nfs/dbraw/zinc/12/77/76/393127776.db2.gz OBYLCXGJBQDUBD-UHFFFAOYSA-N -1 3 287.367 1.977 10 0 CDAEHM COc1ccc(C(=O)NCC[C@H](C)[S@](C)=O)c([O-])c1 ZINC000134011624 393235796 /nfs/dbraw/zinc/23/57/96/393235796.db2.gz SEWCRLVSWIHEBV-ZRNGKTOUSA-N -1 3 285.365 1.288 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1C[C@H]1C1CC1)c1cn2c(n1)CCCC2 ZINC000452045885 393433606 /nfs/dbraw/zinc/43/36/06/393433606.db2.gz JNZVRPYJEXWFIQ-RYUDHWBXSA-N -1 3 295.408 1.544 10 0 CDAEHM C[C@@H]1CCc2ccccc2N1C(=O)[C@@H](N)CC(=O)[O-] ZINC000085810852 135038145 /nfs/dbraw/zinc/03/81/45/135038145.db2.gz UIQQSBTZTBAJOF-KOLCDFICSA-N -1 3 262.309 1.156 10 0 CDAEHM Cc1ccc2c(c1)CCCN2C(=O)[C@@H](N)CCC(=O)[O-] ZINC000085818683 135038185 /nfs/dbraw/zinc/03/81/85/135038185.db2.gz MCJUGHGGOHXKHE-LBPRGKRZSA-N -1 3 276.336 1.466 10 0 CDAEHM C[C@H]1Cc2ccccc2N(C(=O)[C@H](N)CC(=O)[O-])C1 ZINC000085818114 135038257 /nfs/dbraw/zinc/03/82/57/135038257.db2.gz ADUMROGZPGVURI-GXSJLCMTSA-N -1 3 262.309 1.014 10 0 CDAEHM COCCS(=O)(=O)[N-]c1cc(F)cc(N(C)C)c1 ZINC000650490999 398016525 /nfs/dbraw/zinc/01/65/25/398016525.db2.gz OYDWVHGUGBJOQS-UHFFFAOYSA-N -1 3 276.333 1.280 10 0 CDAEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccon1 ZINC000095174392 147112305 /nfs/dbraw/zinc/11/23/05/147112305.db2.gz UIYCNBJADKHSBR-UHFFFAOYSA-N -1 3 270.252 1.031 10 0 CDAEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccon1 ZINC000095174392 147112307 /nfs/dbraw/zinc/11/23/07/147112307.db2.gz UIYCNBJADKHSBR-UHFFFAOYSA-N -1 3 270.252 1.031 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)c2ccncc2)n[n-]1 ZINC000119689175 147327035 /nfs/dbraw/zinc/32/70/35/147327035.db2.gz QQFKKUUISANBQI-UHFFFAOYSA-N -1 3 268.280 1.458 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)c2ccncc2)[n-]n1 ZINC000119689175 147327037 /nfs/dbraw/zinc/32/70/37/147327037.db2.gz QQFKKUUISANBQI-UHFFFAOYSA-N -1 3 268.280 1.458 10 0 CDAEHM Cn1ccnc1-c1noc([N-]Cc2cccc3nccn32)n1 ZINC000181529041 148207625 /nfs/dbraw/zinc/20/76/25/148207625.db2.gz OLBKGRAAAXBEKX-UHFFFAOYSA-N -1 3 295.306 1.730 10 0 CDAEHM CO[C@@H](CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)C1CCCC1 ZINC000660556388 413237862 /nfs/dbraw/zinc/23/78/62/413237862.db2.gz HAICOVOLEXGBCI-STQMWFEESA-N -1 3 294.399 1.895 10 0 CDAEHM CCN(CC)C(=O)CCC(=O)NCc1ncccc1[O-] ZINC000352515317 155240808 /nfs/dbraw/zinc/24/08/08/155240808.db2.gz FXCGPOJHHQYIGD-UHFFFAOYSA-N -1 3 279.340 1.052 10 0 CDAEHM NC(=O)C1CCC(NCc2c(F)ccc([O-])c2F)CC1 ZINC000352534933 155255530 /nfs/dbraw/zinc/25/55/30/155255530.db2.gz ZGALSXRPRLUYPF-UHFFFAOYSA-N -1 3 284.306 1.804 10 0 CDAEHM CC1CN(C(=O)C(=O)[N-]c2nccn2-c2ccccc2)C1 ZINC000335170770 150366755 /nfs/dbraw/zinc/36/67/55/150366755.db2.gz CVMNKZIAQZHDSH-UHFFFAOYSA-N -1 3 284.319 1.289 10 0 CDAEHM O=S(=O)([N-]C[C@H]1CCCS1)c1cscn1 ZINC000335349314 150570723 /nfs/dbraw/zinc/57/07/23/150570723.db2.gz HGXVNBBLGYMTBN-SSDOTTSWSA-N -1 3 264.397 1.317 10 0 CDAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1csc2ccccc12 ZINC000336151602 151314716 /nfs/dbraw/zinc/31/47/16/151314716.db2.gz NVKQGCPBTVFXLL-QMMMGPOBSA-N -1 3 289.316 1.438 10 0 CDAEHM C[C@H]1OCC[C@]1(C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000345540775 152869214 /nfs/dbraw/zinc/86/92/14/152869214.db2.gz KTFIWIHEAOVXTC-HWPZZCPQSA-N -1 3 286.331 1.825 10 0 CDAEHM C[C@@H](CO)[C@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345977392 153014856 /nfs/dbraw/zinc/01/48/56/153014856.db2.gz YTLWVCWFJSDGDK-QWRGUYRKSA-N -1 3 283.343 1.987 10 0 CDAEHM COC[C@H](NC(=O)c1csc(=O)[n-]1)c1ccccc1 ZINC000349511103 154127668 /nfs/dbraw/zinc/12/76/68/154127668.db2.gz UPMUBFGNURINBR-JTQLQIEISA-N -1 3 278.333 1.966 10 0 CDAEHM O=C(NCc1ncccc1[O-])NC[C@@H]1CCCS1 ZINC000349675778 154177254 /nfs/dbraw/zinc/17/72/54/154177254.db2.gz ZAIDKRXZDOHXAW-VIFPVBQESA-N -1 3 267.354 1.482 10 0 CDAEHM CO[C@@H]1[C@H](C)[C@@H](NC(=O)NCc2ncccc2[O-])C1(C)C ZINC000349794016 154219298 /nfs/dbraw/zinc/21/92/98/154219298.db2.gz ZURPSTBYHSAAOV-OASPWFOLSA-N -1 3 293.367 1.646 10 0 CDAEHM CCOC1CC(CCNC(=O)NCc2ncccc2[O-])C1 ZINC000349935943 154277407 /nfs/dbraw/zinc/27/74/07/154277407.db2.gz PDFLTKSFUYDDIR-UHFFFAOYSA-N -1 3 293.367 1.792 10 0 CDAEHM CCc1ccc([O-])c(C(=O)NC[C@@H](CO)C2CC2)c1 ZINC000359817775 158388278 /nfs/dbraw/zinc/38/82/78/158388278.db2.gz FCRXAALWRPXFID-LBPRGKRZSA-N -1 3 263.337 1.703 10 0 CDAEHM CCc1nc(C[N-]S(=O)(=O)Cc2ccon2)cs1 ZINC000360409070 158545460 /nfs/dbraw/zinc/54/54/60/158545460.db2.gz UUDKRVJALDSKTQ-UHFFFAOYSA-N -1 3 287.366 1.313 10 0 CDAEHM CCCn1c(S[C@H](C(N)=O)c2ccccc2)n[n-]c1=O ZINC000010124551 170398252 /nfs/dbraw/zinc/39/82/52/170398252.db2.gz UZFOICILWCNQQA-JTQLQIEISA-N -1 3 292.364 1.712 10 0 CDAEHM CC(C)(C)NC(=O)COc1ccc2c([O-])coc2c1 ZINC000057524331 412156270 /nfs/dbraw/zinc/15/62/70/412156270.db2.gz JVUYNBXMWPDOSJ-UHFFFAOYSA-N -1 3 263.293 1.555 10 0 CDAEHM CC[C@H](NC(=O)NCc1ncccc1[O-])[C@@H]1CCCCO1 ZINC000654716443 413632882 /nfs/dbraw/zinc/63/28/82/413632882.db2.gz OXFLXKPSAYHFDW-FZMZJTMJSA-N -1 3 293.367 1.934 10 0 CDAEHM COC[C@@H](CC[N-]S(=O)(=O)c1ccccc1F)OC ZINC000657053825 413878154 /nfs/dbraw/zinc/87/81/54/413878154.db2.gz STZPYJZEJLYABE-SNVBAGLBSA-N -1 3 291.344 1.156 10 0 CDAEHM COC1CC(CC[N-]S(=O)(=O)c2ccccn2)C1 ZINC000657035756 413858465 /nfs/dbraw/zinc/85/84/65/413858465.db2.gz UJFLHOHXSWAUBT-UHFFFAOYSA-N -1 3 270.354 1.175 10 0 CDAEHM Cc1ccc([O-])c(CNCC2(S(C)(=O)=O)CCCC2)n1 ZINC000285548915 196323265 /nfs/dbraw/zinc/32/32/65/196323265.db2.gz RJQRACMLUBIFKB-UHFFFAOYSA-N -1 3 298.408 1.543 10 0 CDAEHM CC[C@H](C)CC[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000657081003 413900949 /nfs/dbraw/zinc/90/09/49/413900949.db2.gz JDFXMYSOJOCKIK-JTQLQIEISA-N -1 3 259.375 1.618 10 0 CDAEHM CCn1c(=O)[n-]nc1SC[C@H](OC)C1CCC1 ZINC000657234966 414056564 /nfs/dbraw/zinc/05/65/64/414056564.db2.gz WNFSUDOBKBPEHI-VIFPVBQESA-N -1 3 257.359 1.911 10 0 CDAEHM O=C([O-])COCCN1CC2CC1(c1ccccc1)C2 ZINC000663317004 414140834 /nfs/dbraw/zinc/14/08/34/414140834.db2.gz JZAVZLLKKQKFPO-UHFFFAOYSA-N -1 3 261.321 1.709 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCNC(=O)CC2)c1 ZINC000665658135 414338701 /nfs/dbraw/zinc/33/87/01/414338701.db2.gz KYFLKWHSYBULTF-NSHDSACASA-N -1 3 276.336 1.353 10 0 CDAEHM CCc1cccc(C(=O)N2CCO[C@H]([C@@H](C)O)C2)c1[O-] ZINC000665673968 414350907 /nfs/dbraw/zinc/35/09/07/414350907.db2.gz AIVMHAWUNSIRBN-MFKMUULPSA-N -1 3 279.336 1.176 10 0 CDAEHM CCC[C@@H](C)NC(=O)[C@H](C)N(CC)CCC(=O)[O-] ZINC000038025106 174009158 /nfs/dbraw/zinc/00/91/58/174009158.db2.gz SVDAQDJWRUKNCN-MNOVXSKESA-N -1 3 258.362 1.476 10 0 CDAEHM COc1ccc(N)cc1CNC(=O)c1ccc([O-])cc1 ZINC000038033266 174030776 /nfs/dbraw/zinc/03/07/76/174030776.db2.gz REXUOWOTJSFPOI-UHFFFAOYSA-N -1 3 272.304 1.913 10 0 CDAEHM CCOC(=O)[C@H](C)Sc1nc2ccccc2c(=O)[n-]1 ZINC000039128012 174163931 /nfs/dbraw/zinc/16/39/31/174163931.db2.gz DRZIBSGRXVKRAS-QMMMGPOBSA-N -1 3 278.333 1.967 10 0 CDAEHM CN(C)CCOc1nc(C(=O)[O-])cc2ccccc21 ZINC000040239856 174212638 /nfs/dbraw/zinc/21/26/38/174212638.db2.gz KWSUEMARXFHMJF-UHFFFAOYSA-N -1 3 260.293 1.873 10 0 CDAEHM CCCC[C@H](N)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000040472956 174280970 /nfs/dbraw/zinc/28/09/70/174280970.db2.gz WMKSVTGPRNCNAN-NSHDSACASA-N -1 3 250.298 1.841 10 0 CDAEHM O=C([O-])[C@@H]1Cc2ccccc2N1C(=O)CNC1CCCC1 ZINC000040480758 174284652 /nfs/dbraw/zinc/28/46/52/174284652.db2.gz PPNBIKRRXMYBCX-AWEZNQCLSA-N -1 3 288.347 1.561 10 0 CDAEHM CCC[C@](C)(N)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000040481820 174285756 /nfs/dbraw/zinc/28/57/56/174285756.db2.gz KOKPETHLSGANDX-ZDUSSCGKSA-N -1 3 270.373 1.798 10 0 CDAEHM CCC[C@@](C)(NC(=O)[C@H](N)Cc1ccccc1)C(=O)[O-] ZINC000040482809 174286342 /nfs/dbraw/zinc/28/63/42/174286342.db2.gz ZCVZHGSADMFWBD-IUODEOHRSA-N -1 3 278.352 1.316 10 0 CDAEHM CC[C@H](C)[C@@H](N)C(=O)N(CCC(=O)[O-])C(C)(C)C ZINC000040484442 174287947 /nfs/dbraw/zinc/28/79/47/174287947.db2.gz RADMLMNEKNABFC-GXSJLCMTSA-N -1 3 258.362 1.462 10 0 CDAEHM CCC[C@H](N)C(=O)N(CC(=O)[O-])c1ccc(Cl)cc1 ZINC000040484750 174288103 /nfs/dbraw/zinc/28/81/03/174288103.db2.gz ZFBWTJSSOVSSHV-NSHDSACASA-N -1 3 284.743 1.885 10 0 CDAEHM CC[C@@H](C)[C@H](NC(=O)C[C@@H](N)c1ccccc1)C(=O)[O-] ZINC000040490823 174292063 /nfs/dbraw/zinc/29/20/63/174292063.db2.gz JUEQMBTYEUWIOP-QKCSRTOESA-N -1 3 278.352 1.692 10 0 CDAEHM CN(C(=O)NC1CCN(C)CC1)c1ccccc1C(=O)[O-] ZINC000040573612 174339826 /nfs/dbraw/zinc/33/98/26/174339826.db2.gz XLHBGRAEVYJJKI-UHFFFAOYSA-N -1 3 291.351 1.625 10 0 CDAEHM CCc1nnc(SCC(=O)[O-])n1[C@@H]1CCCN(C)C1 ZINC000040715916 174383319 /nfs/dbraw/zinc/38/33/19/174383319.db2.gz ZNFDUKMXXNKLMP-SECBINFHSA-N -1 3 284.385 1.284 10 0 CDAEHM Cc1cccc(C(=O)[O-])c1NC(=O)N[C@H]1CCCN(C)C1 ZINC000040716327 174383670 /nfs/dbraw/zinc/38/36/70/174383670.db2.gz XNYAQLSAMOFIQX-NSHDSACASA-N -1 3 291.351 1.909 10 0 CDAEHM Cc1cc(C[N-]S(=O)(=O)c2c(C)cccc2N)on1 ZINC000044986837 175284836 /nfs/dbraw/zinc/28/48/36/175284836.db2.gz UTOFQIMNSWOTID-UHFFFAOYSA-N -1 3 281.337 1.352 10 0 CDAEHM C[C@@H](CNC(=O)N[C@](C)(C(=O)[O-])C1CC1)N1CCCCC1 ZINC000045013396 175290526 /nfs/dbraw/zinc/29/05/26/175290526.db2.gz BZNSTRXDAWCWMF-NHYWBVRUSA-N -1 3 297.399 1.413 10 0 CDAEHM CCCC[C@H](NC(=O)NC[C@@H](C)N1CCCCC1)C(=O)[O-] ZINC000045013284 175290627 /nfs/dbraw/zinc/29/06/27/175290627.db2.gz DZFNIPFMOSNSIA-OLZOCXBDSA-N -1 3 299.415 1.803 10 0 CDAEHM C[C@H](CN(C)C(=O)NC[C@H](C)N1CCCCC1)C(=O)[O-] ZINC000045013500 175290702 /nfs/dbraw/zinc/29/07/02/175290702.db2.gz HUTRUDKQTQWGQP-NEPJUHHUSA-N -1 3 285.388 1.223 10 0 CDAEHM CC1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(CN)s1 ZINC000045138371 175314608 /nfs/dbraw/zinc/31/46/08/175314608.db2.gz QJPFOPSFAPSTAB-MRVPVSSYSA-N -1 3 260.384 1.284 10 0 CDAEHM CC[C@H](C)[N-]S(=O)(=O)c1cc(N)c(C)cc1F ZINC000070484822 175954025 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3 253.302 1.652 10 0 CDAEHM C[C@@H]1OCC[C@@H]1c1n[n-]nc1C(=O)OC(C)(C)C ZINC000725266374 538457377 /nfs/dbraw/zinc/45/73/77/538457377.db2.gz OUKOXFIHJOKADB-YUMQZZPRSA-N -1 3 253.302 1.652 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000336421714 363535366 /nfs/dbraw/zinc/53/53/66/363535366.db2.gz ATYBRTPQCMQVPU-TXEJJXNPSA-N -1 3 261.321 1.958 10 0 CDAEHM C[C@H]([N-]S(=O)(=O)[C@H]1COC(C)(C)C1)c1csnn1 ZINC000625253513 356639851 /nfs/dbraw/zinc/63/98/51/356639851.db2.gz GCKALLFMTBPKJV-JGVFFNPUSA-N -1 3 291.398 1.086 10 0 CDAEHM CCN1CCC[C@@H](n2nnc3c2C[C@@H](C(=O)[O-])CC3)C1 ZINC000584883043 356667384 /nfs/dbraw/zinc/66/73/84/356667384.db2.gz FJGORYPWXUVOAG-WDEREUQCSA-N -1 3 278.356 1.124 10 0 CDAEHM CC(=O)c1cccc(NC(=O)CCCCC(N)=O)c1[O-] ZINC000560551465 290504405 /nfs/dbraw/zinc/50/44/05/290504405.db2.gz YJAZDKGFCIMTEL-UHFFFAOYSA-N -1 3 278.308 1.579 10 0 CDAEHM Cc1ccc(-c2nnc(NC(=O)c3ccnnc3)[n-]2)o1 ZINC000133158119 538815359 /nfs/dbraw/zinc/81/53/59/538815359.db2.gz YMLLLYGKEKSPBR-UHFFFAOYSA-N -1 3 270.252 1.415 10 0 CDAEHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccnnc3)n2)o1 ZINC000133158119 538815362 /nfs/dbraw/zinc/81/53/62/538815362.db2.gz YMLLLYGKEKSPBR-UHFFFAOYSA-N -1 3 270.252 1.415 10 0 CDAEHM Cc1ccc(-c2nc(NC(=O)c3ccnnc3)n[n-]2)o1 ZINC000133158119 538815372 /nfs/dbraw/zinc/81/53/72/538815372.db2.gz YMLLLYGKEKSPBR-UHFFFAOYSA-N -1 3 270.252 1.415 10 0 CDAEHM Cc1ccccc1[C@@H](C(=O)[O-])N1C[C@H]2CC[C@@H](C1)O2 ZINC000634695973 357258694 /nfs/dbraw/zinc/25/86/94/357258694.db2.gz DOECMGHRNONPKH-SCRDCRAPSA-N -1 3 261.321 1.984 10 0 CDAEHM NC(=O)NC[C@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000182290887 357429633 /nfs/dbraw/zinc/42/96/33/357429633.db2.gz UMHMJOOWYKYIHV-LLVKDONJSA-N -1 3 277.324 1.055 10 0 CDAEHM CC(C)c1cc(C[N-]S(=O)(=O)[C@H]2CCO[C@H]2C)on1 ZINC000135665787 538887764 /nfs/dbraw/zinc/88/77/64/538887764.db2.gz PXSZMPOQFLZIKO-CABZTGNLSA-N -1 3 288.369 1.395 10 0 CDAEHM CCc1nn(C)cc1[N-]S(=O)(=O)N1CCC[C@@H]1C ZINC000407960488 357677728 /nfs/dbraw/zinc/67/77/28/357677728.db2.gz YDXWDPFEIYAENO-VIFPVBQESA-N -1 3 272.374 1.124 10 0 CDAEHM Cc1ccc(C(=O)N2CCO[C@@]3(CCOC3)C2)c([O-])c1 ZINC000187169689 357736390 /nfs/dbraw/zinc/73/63/90/357736390.db2.gz RMYACELBNUQVRB-HNNXBMFYSA-N -1 3 277.320 1.332 10 0 CDAEHM CO[C@@H]1COCC[C@H]1CC(=O)[N-]OCc1ccccc1 ZINC000294335114 199002916 /nfs/dbraw/zinc/00/29/16/199002916.db2.gz IELRWRIORVGRKK-UONOGXRCSA-N -1 3 279.336 1.676 10 0 CDAEHM COc1cc(C)cc(C[N-]S(=O)(=O)c2cscn2)c1 ZINC000567467722 293789888 /nfs/dbraw/zinc/78/98/88/293789888.db2.gz KRNPPRGMXNEXSK-UHFFFAOYSA-N -1 3 298.389 1.939 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2Cc3ccccc3S2)[n-]1 ZINC000129582192 358288209 /nfs/dbraw/zinc/28/82/09/358288209.db2.gz AIRGEVVTSQYXNY-VIFPVBQESA-N -1 3 276.321 1.469 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2Cc3ccccc3S2)n[n-]1 ZINC000129582192 358288212 /nfs/dbraw/zinc/28/82/12/358288212.db2.gz AIRGEVVTSQYXNY-VIFPVBQESA-N -1 3 276.321 1.469 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2Cc3ccccc3S2)n1 ZINC000129582192 358288216 /nfs/dbraw/zinc/28/82/16/358288216.db2.gz AIRGEVVTSQYXNY-VIFPVBQESA-N -1 3 276.321 1.469 10 0 CDAEHM CC(C)c1n[nH]cc1C(=O)[N-]N1Cc2ccccc2C1=O ZINC000193900312 358329979 /nfs/dbraw/zinc/32/99/79/358329979.db2.gz AZTRSGLYQRCDLW-UHFFFAOYSA-N -1 3 284.319 1.834 10 0 CDAEHM CN(Cc1c(C(=O)[O-])cnn1C)C1CCCCC1 ZINC000132191504 358520355 /nfs/dbraw/zinc/52/03/55/358520355.db2.gz XEXAUGPUJUKYIZ-UHFFFAOYSA-N -1 3 251.330 1.883 10 0 CDAEHM CCN1CN(C(=O)c2cc([O-])ccc2Cl)CC1=O ZINC000336472527 363610601 /nfs/dbraw/zinc/61/06/01/363610601.db2.gz KHPFEZIICXHVRD-UHFFFAOYSA-N -1 3 268.700 1.307 10 0 CDAEHM CCc1cccc(C(=O)N[C@@H](C)[C@H](C)CO)c1[O-] ZINC000305422853 358680103 /nfs/dbraw/zinc/68/01/03/358680103.db2.gz AEAPWNUQAFGOKH-ZJUUUORDSA-N -1 3 251.326 1.701 10 0 CDAEHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)[C@@H]1CCCOCC1 ZINC000366918157 358950546 /nfs/dbraw/zinc/95/05/46/358950546.db2.gz ULLQMGXNNUTSKU-LLVKDONJSA-N -1 3 286.335 1.649 10 0 CDAEHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)[C@H]1CCCOCC1 ZINC000366918158 358951052 /nfs/dbraw/zinc/95/10/52/358951052.db2.gz ULLQMGXNNUTSKU-NSHDSACASA-N -1 3 286.335 1.649 10 0 CDAEHM COC(=O)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000112282198 359308240 /nfs/dbraw/zinc/30/82/40/359308240.db2.gz DEOJPKHNXOUKIJ-JTQLQIEISA-N -1 3 263.293 1.417 10 0 CDAEHM COCCc1cc(NC(=O)c2ccc(C)cc2[O-])n(C)n1 ZINC000158517746 237132485 /nfs/dbraw/zinc/13/24/85/237132485.db2.gz BRELDKPDJILUMJ-UHFFFAOYSA-N -1 3 289.335 1.875 10 0 CDAEHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CNC(=O)C2)c1[O-] ZINC000116980551 359654449 /nfs/dbraw/zinc/65/44/49/359654449.db2.gz JUOJTQFRPSWCRB-ZETCQYMHSA-N -1 3 268.700 1.429 10 0 CDAEHM Cn1cc(NC([O-])=NOCC2CC2)c(C2CC2)n1 ZINC000297336584 200152621 /nfs/dbraw/zinc/15/26/21/200152621.db2.gz ICSBMLVNDPJGGW-UHFFFAOYSA-N -1 3 250.302 1.761 10 0 CDAEHM Cn1cc(NC(=O)[N-]OCC2CC2)c(C2CC2)n1 ZINC000297336584 200152623 /nfs/dbraw/zinc/15/26/23/200152623.db2.gz ICSBMLVNDPJGGW-UHFFFAOYSA-N -1 3 250.302 1.761 10 0 CDAEHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C[C@@](C)(O)C(=O)[O-] ZINC000566361458 359952007 /nfs/dbraw/zinc/95/20/07/359952007.db2.gz JWUIIKGHWQIOKH-IQMDTDKHSA-N -1 3 281.327 1.969 10 0 CDAEHM Cc1ccnc(C(=O)[N-]c2sccc2S(C)(=O)=O)n1 ZINC000348277441 359955043 /nfs/dbraw/zinc/95/50/43/359955043.db2.gz MJFDYTIPTHTURE-UHFFFAOYSA-N -1 3 297.361 1.502 10 0 CDAEHM C[C@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1cn[nH]c1 ZINC000337479293 360167527 /nfs/dbraw/zinc/16/75/27/360167527.db2.gz VSMMANITENZVCF-LURJTMIESA-N -1 3 274.259 1.311 10 0 CDAEHM C[C@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1cn[nH]c1 ZINC000337479293 360167532 /nfs/dbraw/zinc/16/75/32/360167532.db2.gz VSMMANITENZVCF-LURJTMIESA-N -1 3 274.259 1.311 10 0 CDAEHM C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1cn[nH]c1 ZINC000337479293 360167534 /nfs/dbraw/zinc/16/75/34/360167534.db2.gz VSMMANITENZVCF-LURJTMIESA-N -1 3 274.259 1.311 10 0 CDAEHM O=C(NCCCc1ccccn1)c1cc(F)cc2nn[n-]c21 ZINC000337518142 360221812 /nfs/dbraw/zinc/22/18/12/360221812.db2.gz KUWQHVGCDKBOEF-UHFFFAOYSA-N -1 3 299.309 1.855 10 0 CDAEHM O=C(NCCCc1ccccn1)c1cc(F)cc2[n-]nnc21 ZINC000337518142 360221815 /nfs/dbraw/zinc/22/18/15/360221815.db2.gz KUWQHVGCDKBOEF-UHFFFAOYSA-N -1 3 299.309 1.855 10 0 CDAEHM O=C(NCCCc1ccccn1)c1cc(F)cc2n[n-]nc21 ZINC000337518142 360221817 /nfs/dbraw/zinc/22/18/17/360221817.db2.gz KUWQHVGCDKBOEF-UHFFFAOYSA-N -1 3 299.309 1.855 10 0 CDAEHM COc1cc(C(=O)N[C@H]2COCC2(C)C)cc(OC)c1[O-] ZINC000456554603 363712348 /nfs/dbraw/zinc/71/23/48/363712348.db2.gz VPHYBJDWHBBWEW-LBPRGKRZSA-N -1 3 295.335 1.564 10 0 CDAEHM CCC[C@](C)([N-]S(=O)(=O)c1cscn1)C(=O)OC ZINC000515379096 360484839 /nfs/dbraw/zinc/48/48/39/360484839.db2.gz IOOWLPDGOWTMNT-JTQLQIEISA-N -1 3 292.382 1.153 10 0 CDAEHM CSCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000177822569 189071798 /nfs/dbraw/zinc/07/17/98/189071798.db2.gz FEOSTLMGCFHUGS-UHFFFAOYSA-N -1 3 252.299 1.675 10 0 CDAEHM CSCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000177822569 189071799 /nfs/dbraw/zinc/07/17/99/189071799.db2.gz FEOSTLMGCFHUGS-UHFFFAOYSA-N -1 3 252.299 1.675 10 0 CDAEHM CSCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000177822569 189071800 /nfs/dbraw/zinc/07/18/00/189071800.db2.gz FEOSTLMGCFHUGS-UHFFFAOYSA-N -1 3 252.299 1.675 10 0 CDAEHM CCC[C@H](C(=O)OCC)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000516475824 360607214 /nfs/dbraw/zinc/60/72/14/360607214.db2.gz LZBHSCOYRWBYRA-GRYCIOLGSA-N -1 3 271.357 1.761 10 0 CDAEHM Cn1cc([C@@H]2C[C@H]2C(=O)[N-]OCC(F)(F)F)cn1 ZINC000367074813 360732009 /nfs/dbraw/zinc/73/20/09/360732009.db2.gz PYQQZOOHEHEXJL-JGVFFNPUSA-N -1 3 263.219 1.134 10 0 CDAEHM Cc1cnc(C(=O)N2CCC[C@@H](c3nc[nH]n3)C2)c([O-])c1 ZINC000408371009 360731325 /nfs/dbraw/zinc/73/13/25/360731325.db2.gz SNSVIISGITUFDL-SNVBAGLBSA-N -1 3 287.323 1.234 10 0 CDAEHM CNC(=O)[C@@H](C)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000335704361 360815808 /nfs/dbraw/zinc/81/58/08/360815808.db2.gz ANMNFVZYOZPIJE-SECBINFHSA-N -1 3 276.336 1.135 10 0 CDAEHM CSc1ccc([O-])c(C(=O)NC[C@H](O)[C@@H]2CCCO2)c1 ZINC000628601717 360845010 /nfs/dbraw/zinc/84/50/10/360845010.db2.gz YCHMLZOSVVWNNP-STQMWFEESA-N -1 3 297.376 1.384 10 0 CDAEHM CN1CC[C@H](NC(=O)c2cncc([O-])c2)[C@@H]1c1ccccc1 ZINC000179223787 189178842 /nfs/dbraw/zinc/17/88/42/189178842.db2.gz BQDITBQIZXVYOF-HOTGVXAUSA-N -1 3 297.358 1.962 10 0 CDAEHM COc1nnc(NC(=O)[C@H](C)CCOc2ccccc2)[n-]1 ZINC000179364328 189188899 /nfs/dbraw/zinc/18/88/99/189188899.db2.gz NRQOSMNNSGJJPO-SNVBAGLBSA-N -1 3 290.323 1.857 10 0 CDAEHM COc1nc(NC(=O)[C@H](C)CCOc2ccccc2)n[n-]1 ZINC000179364328 189188900 /nfs/dbraw/zinc/18/89/00/189188900.db2.gz NRQOSMNNSGJJPO-SNVBAGLBSA-N -1 3 290.323 1.857 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H](C)CCOc2ccccc2)n1 ZINC000179364328 189188901 /nfs/dbraw/zinc/18/89/01/189188901.db2.gz NRQOSMNNSGJJPO-SNVBAGLBSA-N -1 3 290.323 1.857 10 0 CDAEHM Cn1c(=O)[n-]nc1SCc1cn(-c2ccccc2)nn1 ZINC000338910507 361117617 /nfs/dbraw/zinc/11/76/17/361117617.db2.gz FNFYBNPOKOMASP-UHFFFAOYSA-N -1 3 288.336 1.394 10 0 CDAEHM CCCS(=O)(=O)[N-][C@@](C)(c1noc(C)n1)C1CC1 ZINC000432269838 361133438 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/nfs/dbraw/zinc/77/17/73/366771773.db2.gz QPNUGMHANHBHLV-UHFFFAOYSA-N -1 3 270.214 1.195 10 0 CDAEHM Cc1ccc(F)c(S(=O)(=O)[N-]CC(=O)C(C)C)c1 ZINC000133636938 361417073 /nfs/dbraw/zinc/41/70/73/361417073.db2.gz GTZRQDCEOZBFHT-UHFFFAOYSA-N -1 3 273.329 1.638 10 0 CDAEHM O=S(=O)([N-][C@@H]1CCCn2nccc21)c1ccccn1 ZINC000632789580 361510473 /nfs/dbraw/zinc/51/04/73/361510473.db2.gz XCUCQXFAQCHJPS-SNVBAGLBSA-N -1 3 278.337 1.092 10 0 CDAEHM CC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(=O)s2)cc1 ZINC000436478223 361518757 /nfs/dbraw/zinc/51/87/57/361518757.db2.gz OQSZOVXZIULOMT-UHFFFAOYSA-N -1 3 298.345 1.852 10 0 CDAEHM Cc1cccc(C(=O)Nc2ccc(-n3cnnn3)cc2)c1[O-] ZINC000436754054 361570928 /nfs/dbraw/zinc/57/09/28/361570928.db2.gz GQUKFKSHCOEILP-UHFFFAOYSA-N -1 3 295.302 1.929 10 0 CDAEHM CC(=O)c1ccc(C(=O)N[C@@H](C)[C@H](C)CO)cc1[O-] ZINC000436654527 361551884 /nfs/dbraw/zinc/55/18/84/361551884.db2.gz AJTLPADDLDDCKA-BDAKNGLRSA-N -1 3 265.309 1.342 10 0 CDAEHM Cc1cccc(C(=O)NCCc2csc(=O)[nH]2)c1[O-] 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O=C(c1cccc([O-])c1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000182593463 140022705 /nfs/dbraw/zinc/02/27/05/140022705.db2.gz NYQSCAJLVLKQCN-KGLIPLIRSA-N -1 3 277.320 1.412 10 0 CDAEHM Cc1cc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)ccc1[O-] ZINC000226955329 140182086 /nfs/dbraw/zinc/18/20/86/140182086.db2.gz QNJVYQJENWLKRW-CMPLNLGQSA-N -1 3 276.336 1.427 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000664192246 413134705 /nfs/dbraw/zinc/13/47/05/413134705.db2.gz KBJQJVCHIOQIIX-NEPJUHHUSA-N -1 3 294.326 1.709 10 0 CDAEHM COc1cc(=NC(=O)N2CCCC(F)(F)C2)[n-]n1C ZINC000650133907 397735370 /nfs/dbraw/zinc/73/53/70/397735370.db2.gz CCOJQLOVSAVTNP-UHFFFAOYSA-N -1 3 274.271 1.114 10 0 CDAEHM CSc1nnc(NC(=O)Cc2cn3c(n2)CCCC3)[n-]1 ZINC000651205301 397878778 /nfs/dbraw/zinc/87/87/78/397878778.db2.gz HLEBZDWXQIUTBD-UHFFFAOYSA-N -1 3 292.368 1.241 10 0 CDAEHM CSc1n[n-]c(NC(=O)Cc2cn3c(n2)CCCC3)n1 ZINC000651205301 397878782 /nfs/dbraw/zinc/87/87/82/397878782.db2.gz HLEBZDWXQIUTBD-UHFFFAOYSA-N -1 3 292.368 1.241 10 0 CDAEHM CSc1nc(NC(=O)Cc2cn3c(n2)CCCC3)n[n-]1 ZINC000651205301 397878785 /nfs/dbraw/zinc/87/87/85/397878785.db2.gz HLEBZDWXQIUTBD-UHFFFAOYSA-N -1 3 292.368 1.241 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)N1C[C@H](O)CC(F)(F)C1 ZINC000649673918 397895649 /nfs/dbraw/zinc/89/56/49/397895649.db2.gz ZYBOLYODRPIWTR-SECBINFHSA-N -1 3 289.253 1.302 10 0 CDAEHM CCO[C@@H](CC(=O)NCc1ncccc1[O-])C(C)C ZINC000352502806 155231993 /nfs/dbraw/zinc/23/19/93/155231993.db2.gz YSCOBLBUZPLRGY-ZDUSSCGKSA-N -1 3 266.341 1.855 10 0 CDAEHM CC(C)[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000334901972 150054693 /nfs/dbraw/zinc/05/46/93/150054693.db2.gz BTXWUDXUDYYXKB-SECBINFHSA-N -1 3 257.359 1.467 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2cn(C)nc2C)o1 ZINC000335900999 151096804 /nfs/dbraw/zinc/09/68/04/151096804.db2.gz ROBKIANVRCLYOL-SNVBAGLBSA-N -1 3 283.353 1.669 10 0 CDAEHM COc1nc(NC(=O)CCC(=O)c2cccc(F)c2)n[n-]1 ZINC000352644362 155320751 /nfs/dbraw/zinc/32/07/51/155320751.db2.gz DWKTYQZEMOODBM-UHFFFAOYSA-N -1 3 292.270 1.554 10 0 CDAEHM COc1nnc(NC(=O)CCC(=O)c2cccc(F)c2)[n-]1 ZINC000352644362 155320752 /nfs/dbraw/zinc/32/07/52/155320752.db2.gz DWKTYQZEMOODBM-UHFFFAOYSA-N -1 3 292.270 1.554 10 0 CDAEHM COc1n[n-]c(NC(=O)CCC(=O)c2cccc(F)c2)n1 ZINC000352644362 155320754 /nfs/dbraw/zinc/32/07/54/155320754.db2.gz DWKTYQZEMOODBM-UHFFFAOYSA-N -1 3 292.270 1.554 10 0 CDAEHM COc1nc(NC(=O)CCCOc2cccnc2)n[n-]1 ZINC000352647824 155323593 /nfs/dbraw/zinc/32/35/93/155323593.db2.gz QXFKZKGXITWTNM-UHFFFAOYSA-N -1 3 277.284 1.006 10 0 CDAEHM COc1nnc(NC(=O)CCCOc2cccnc2)[n-]1 ZINC000352647824 155323595 /nfs/dbraw/zinc/32/35/95/155323595.db2.gz QXFKZKGXITWTNM-UHFFFAOYSA-N -1 3 277.284 1.006 10 0 CDAEHM COc1n[n-]c(NC(=O)CCCOc2cccnc2)n1 ZINC000352647824 155323598 /nfs/dbraw/zinc/32/35/98/155323598.db2.gz QXFKZKGXITWTNM-UHFFFAOYSA-N -1 3 277.284 1.006 10 0 CDAEHM O=c1cc[nH]c2cc(CN=c3ncnc4[nH][n-]cc3-4)ccc12 ZINC000343049527 152012290 /nfs/dbraw/zinc/01/22/90/152012290.db2.gz AOILUUKXIPEXQM-UHFFFAOYSA-N -1 3 292.302 1.180 10 0 CDAEHM Cc1ccc(F)c(S(=O)(=O)[N-]CC[C@H]2CCOC2)c1 ZINC000343997310 152383841 /nfs/dbraw/zinc/38/38/41/152383841.db2.gz UMHCMRVBTPKLDN-NSHDSACASA-N -1 3 287.356 1.839 10 0 CDAEHM COc1nnc(NC(=O)c2cc(OC)c(OC)cc2C)[n-]1 ZINC000352687820 155366444 /nfs/dbraw/zinc/36/64/44/155366444.db2.gz SUODZTVRHUEYJC-UHFFFAOYSA-N -1 3 292.295 1.391 10 0 CDAEHM COc1nc(NC(=O)c2cc(OC)c(OC)cc2C)n[n-]1 ZINC000352687820 155366449 /nfs/dbraw/zinc/36/64/49/155366449.db2.gz SUODZTVRHUEYJC-UHFFFAOYSA-N -1 3 292.295 1.391 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cc(OC)c(OC)cc2C)n1 ZINC000352687820 155366451 /nfs/dbraw/zinc/36/64/51/155366451.db2.gz SUODZTVRHUEYJC-UHFFFAOYSA-N -1 3 292.295 1.391 10 0 CDAEHM CC(C)n1nccc1NC(=O)NCc1ncccc1[O-] ZINC000348457854 153901507 /nfs/dbraw/zinc/90/15/07/153901507.db2.gz CEYSHZJMPJTUMJ-UHFFFAOYSA-N -1 3 275.312 1.886 10 0 CDAEHM CCCn1c(=O)[n-]nc1SCc1nc(CCOC)no1 ZINC000349041587 154036846 /nfs/dbraw/zinc/03/68/46/154036846.db2.gz USHIMNYUTNHHST-UHFFFAOYSA-N -1 3 299.356 1.258 10 0 CDAEHM O=C(NCc1ccsc1)NCc1ncccc1[O-] ZINC000349355668 154097488 /nfs/dbraw/zinc/09/74/88/154097488.db2.gz OXBPSNSBNAZQHF-UHFFFAOYSA-N -1 3 263.322 1.848 10 0 CDAEHM CCCC[C@H]([N-]S(=O)(=O)CC(C)(C)OC)C(=O)OC ZINC000349501104 154125754 /nfs/dbraw/zinc/12/57/54/154125754.db2.gz QIIAXBHKSRILIJ-JTQLQIEISA-N -1 3 295.401 1.063 10 0 CDAEHM CC1(C)C[C@H](NC(=O)NCc2ncccc2[O-])C(C)(C)O1 ZINC000349798101 154219714 /nfs/dbraw/zinc/21/97/14/154219714.db2.gz DHONSNWUJQFOES-LBPRGKRZSA-N -1 3 293.367 1.933 10 0 CDAEHM O=C(NCc1ncccc1[O-])N[C@H]1CCC[C@@H]1CCO ZINC000349954279 154285355 /nfs/dbraw/zinc/28/53/55/154285355.db2.gz KDXBDYSRPDFLRR-MNOVXSKESA-N -1 3 279.340 1.138 10 0 CDAEHM CO[C@@H](C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)C(C)C ZINC000352996783 155575598 /nfs/dbraw/zinc/57/55/98/155575598.db2.gz ZMAPNBXJCDNJLB-CMPLNLGQSA-N -1 3 267.329 1.293 10 0 CDAEHM C[C@H](c1ccccc1)[C@@H](NC(=O)c1cccc([O-])c1)C(N)=O ZINC000359239998 158178165 /nfs/dbraw/zinc/17/81/65/158178165.db2.gz BMRYFVDPCQXWPJ-IAQYHMDHSA-N -1 3 298.342 1.780 10 0 CDAEHM COCC1=CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000359316422 158212580 /nfs/dbraw/zinc/21/25/80/158212580.db2.gz WSWPPRXNMMRAJB-UHFFFAOYSA-N -1 3 298.342 1.947 10 0 CDAEHM CCCn1c(=O)[n-]nc1SCC(=O)COCC ZINC000362699677 159217293 /nfs/dbraw/zinc/21/72/93/159217293.db2.gz QHAHJXDEUQUDKI-UHFFFAOYSA-N -1 3 259.331 1.091 10 0 CDAEHM CC(=O)NC(C)(C)c1noc(/C=C\c2cncc([O-])c2)n1 ZINC000362722717 159222490 /nfs/dbraw/zinc/22/24/90/159222490.db2.gz LEKJSIZWRJYHDV-PLNGDYQASA-N -1 3 288.307 1.712 10 0 CDAEHM Cc1cc(=O)[n-]c(C(C)(C)NC[C@H](O)C(F)(F)F)n1 ZINC000660750268 413437730 /nfs/dbraw/zinc/43/77/30/413437730.db2.gz ADZYRTHDVWIUNC-ZETCQYMHSA-N -1 3 279.262 1.239 10 0 CDAEHM NC(=O)c1ccc(C(=O)[N-]c2ccnc(F)c2F)s1 ZINC001587734639 1172997627 /nfs/dbraw/zinc/99/76/27/1172997627.db2.gz SZPOHQXXVZFTTF-UHFFFAOYSA-N -1 3 283.259 1.773 10 0 CDAEHM COc1cc(CNC2(C(=O)[O-])CC2)cc2c1OCCO2 ZINC000284313901 196027201 /nfs/dbraw/zinc/02/72/01/196027201.db2.gz SQBJUVTXIAGPFG-UHFFFAOYSA-N -1 3 279.292 1.173 10 0 CDAEHM COC(C)(C)CS(=O)(=O)[N-]c1ccc2c(c1)CCOC2 ZINC000656645633 413510196 /nfs/dbraw/zinc/51/01/96/413510196.db2.gz PXIBIQCCSRIBBR-UHFFFAOYSA-N -1 3 299.392 1.926 10 0 CDAEHM CC(C)[C@](C)(CC(=O)NC1CCN(C)CC1)C(=O)[O-] ZINC000035720562 172375432 /nfs/dbraw/zinc/37/54/32/172375432.db2.gz TYLLWVRMRAXVAD-AWEZNQCLSA-N -1 3 270.373 1.334 10 0 CDAEHM C[C@@H]1CCN(C(=O)[C@H](CN)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000656854981 413740819 /nfs/dbraw/zinc/74/08/19/413740819.db2.gz DPXGICPVGVSPOS-MRVWCRGKSA-N -1 3 290.363 1.298 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CCc2cnccc2C)c1 ZINC000657082778 413905463 /nfs/dbraw/zinc/90/54/63/413905463.db2.gz UDYNTZLRWDIOLH-UHFFFAOYSA-N -1 3 294.380 1.127 10 0 CDAEHM CCCn1c(=O)[n-]nc1SC[C@H](OC)[C@H]1CCOC1 ZINC000657232368 414052900 /nfs/dbraw/zinc/05/29/00/414052900.db2.gz XRECJFZTHRWTAA-UWVGGRQHSA-N -1 3 287.385 1.537 10 0 CDAEHM CCOc1cccc(CNCCC(=O)[O-])c1OC ZINC000037252410 173064645 /nfs/dbraw/zinc/06/46/45/173064645.db2.gz UJCDNBKWTFTOEV-UHFFFAOYSA-N -1 3 253.298 1.658 10 0 CDAEHM Cn1ncc(Cl)c1CNC[C@H](C(=O)[O-])C1CCC1 ZINC000665359373 414107998 /nfs/dbraw/zinc/10/79/98/414107998.db2.gz AXIJOZMJJPEZBM-VIFPVBQESA-N -1 3 271.748 1.664 10 0 CDAEHM N[C@@H](CC(=O)NC[C@H](C(=O)[O-])C1CCC1)c1ccccc1 ZINC000663279772 414116971 /nfs/dbraw/zinc/11/69/71/414116971.db2.gz LXDASYCEVIRLFR-KBPBESRZSA-N -1 3 290.363 1.694 10 0 CDAEHM [O-]c1ccc(CNCc2cc3n(n2)CCC3)cc1F ZINC000657369828 414241397 /nfs/dbraw/zinc/24/13/97/414241397.db2.gz GTFZXYIYENCFCP-UHFFFAOYSA-N -1 3 261.300 1.964 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N[C@H]2CCNC(=O)CC2)c1 ZINC000665658134 414339079 /nfs/dbraw/zinc/33/90/79/414339079.db2.gz KYFLKWHSYBULTF-LLVKDONJSA-N -1 3 276.336 1.353 10 0 CDAEHM CCc1cccc(C(=O)N2CCO[C@@H]([C@H](C)O)C2)c1[O-] ZINC000665673967 414352251 /nfs/dbraw/zinc/35/22/51/414352251.db2.gz AIVMHAWUNSIRBN-GXFFZTMASA-N -1 3 279.336 1.176 10 0 CDAEHM Cc1nn(C)cc1S(=O)(=O)[N-]C[C@@H]1C(C)(C)C1(F)F ZINC000660023098 414368199 /nfs/dbraw/zinc/36/81/99/414368199.db2.gz WXJCJABLRVUQAC-SECBINFHSA-N -1 3 293.339 1.298 10 0 CDAEHM C[C@@H](C(=O)NC1CCCC1)N1CCCC[C@@H]1CC(=O)[O-] ZINC000038028019 174015605 /nfs/dbraw/zinc/01/56/05/174015605.db2.gz JBBSVIXRGCLPIS-WCQYABFASA-N -1 3 282.384 1.763 10 0 CDAEHM CN1CCC[C@@H]1c1ccc(NC(=O)NCC(=O)[O-])nc1 ZINC000038527177 174144186 /nfs/dbraw/zinc/14/41/86/174144186.db2.gz IDQBOUPFIJUSKB-SNVBAGLBSA-N -1 3 278.312 1.054 10 0 CDAEHM CCC[C@](C)(N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000040469742 174278381 /nfs/dbraw/zinc/27/83/81/174278381.db2.gz FLBMJQDXSUUKBH-CJNGLKHVSA-N -1 3 290.363 1.542 10 0 CDAEHM CCCC[C@@H](N)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000040470055 174278994 /nfs/dbraw/zinc/27/89/94/174278994.db2.gz OFEMHROMPJBQHC-LLVKDONJSA-N -1 3 250.298 1.841 10 0 CDAEHM CC[C@@H](C)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)[O-] ZINC000040472544 174280775 /nfs/dbraw/zinc/28/07/75/174280775.db2.gz JWBLQDDHSDGEGR-KGYLQXTDSA-N -1 3 278.352 1.172 10 0 endogenous,in-vitro CDAEHM CC[C@@H](C)NCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-] ZINC000040480750 174284578 /nfs/dbraw/zinc/28/45/78/174284578.db2.gz CJFLTEDHAOJCQR-MFKMUULPSA-N -1 3 276.336 1.417 10 0 CDAEHM CCC[C@@](C)(NC(=O)C[C@@H](N)c1ccccc1)C(=O)[O-] ZINC000040482851 174286509 /nfs/dbraw/zinc/28/65/09/174286509.db2.gz MTMFKWMZMUMHQO-IUODEOHRSA-N -1 3 278.352 1.836 10 0 CDAEHM Cc1ccc(N(CCC(=O)[O-])C(=O)CNC2CC2)cc1 ZINC000040483768 174286748 /nfs/dbraw/zinc/28/67/48/174286748.db2.gz DTJNPLASOYGZEI-UHFFFAOYSA-N -1 3 276.336 1.555 10 0 CDAEHM Cc1ccccc1N(CCC(=O)[O-])C(=O)[C@](C)(N)C1CC1 ZINC000040483967 174287363 /nfs/dbraw/zinc/28/73/63/174287363.db2.gz QCSVRYOZZRAOHM-MRXNPFEDSA-N -1 3 290.363 1.930 10 0 CDAEHM NC1(C(=O)N(CC(=O)[O-])c2ccccc2)CCCCC1 ZINC000040484136 174287774 /nfs/dbraw/zinc/28/77/74/174287774.db2.gz XJHBNAMFVQPYJQ-UHFFFAOYSA-N -1 3 276.336 1.766 10 0 CDAEHM O=C([O-])CN(C(=O)[C@H]1CCCCN1)c1cccc(Cl)c1 ZINC000040484567 174287929 /nfs/dbraw/zinc/28/79/29/174287929.db2.gz MLJRLTFFVZGFLU-GFCCVEGCSA-N -1 3 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CCOc1n[n-]c(NC(=O)c2sccc2C)n1 ZINC000228770467 745603776 /nfs/dbraw/zinc/60/37/76/745603776.db2.gz CHJKQNDZAGXUSJ-UHFFFAOYSA-N -1 3 252.299 1.826 10 0 CDAEHM CN(CCCF)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000925535328 745642851 /nfs/dbraw/zinc/64/28/51/745642851.db2.gz DLVPCBLWYDPIKT-UHFFFAOYSA-N -1 3 262.284 1.960 10 0 CDAEHM Cc1ccc(C(=O)N2CCC3=C(CCC(=O)N3)C2)c([O-])c1 ZINC000855153324 745771832 /nfs/dbraw/zinc/77/18/32/745771832.db2.gz TWWFVUXWBJKKQU-UHFFFAOYSA-N -1 3 286.331 1.711 10 0 CDAEHM CN(C[C@@H]1CCCO1)C(=O)c1nnc2ccccc2c1[O-] ZINC000109961851 745802788 /nfs/dbraw/zinc/80/27/88/745802788.db2.gz XJRIUUJHJVXDKX-JTQLQIEISA-N -1 3 287.319 1.174 10 0 CDAEHM O=C(OCc1cncc(C(F)(F)F)c1)c1cnn[n-]1 ZINC000812598420 745804009 /nfs/dbraw/zinc/80/40/09/745804009.db2.gz LQVILANCHSUZSD-UHFFFAOYSA-N -1 3 272.186 1.576 10 0 CDAEHM O=C(OCc1cncc(C(F)(F)F)c1)c1c[n-]nn1 ZINC000812598420 745804011 /nfs/dbraw/zinc/80/40/11/745804011.db2.gz LQVILANCHSUZSD-UHFFFAOYSA-N -1 3 272.186 1.576 10 0 CDAEHM C[C@H]1C[C@H](COC(=O)c2cncc([O-])c2)CCO1 ZINC000783624908 745810131 /nfs/dbraw/zinc/81/01/31/745810131.db2.gz PPJUSZWHVCBHPV-VHSXEESVSA-N -1 3 251.282 1.759 10 0 CDAEHM COc1cc(C(=O)OCc2ncccn2)cc(OC)c1[O-] ZINC000791423499 745811163 /nfs/dbraw/zinc/81/11/63/745811163.db2.gz IDSWFFPFSMTGIM-UHFFFAOYSA-N -1 3 290.275 1.556 10 0 CDAEHM C[C@]1(c2nc(-c3ccc([O-])cc3F)no2)CNCCO1 ZINC000872180054 745821162 /nfs/dbraw/zinc/82/11/62/745821162.db2.gz MDTZNRSSBNKBLD-CYBMUJFWSA-N -1 3 279.271 1.416 10 0 CDAEHM C[C@H](NCc1cn(C)nn1)c1cc([O-])cc(F)c1 ZINC000926126865 745833830 /nfs/dbraw/zinc/83/38/30/745833830.db2.gz NHCMCUHWDXNNEH-QMMMGPOBSA-N -1 3 250.277 1.511 10 0 CDAEHM Cc1nc(C)c(CC(=O)OCCC[C@H]2CCOC2)c(=O)[n-]1 ZINC000828723882 745836802 /nfs/dbraw/zinc/83/68/02/745836802.db2.gz DPSCVSUTZQHHEB-LBPRGKRZSA-N -1 3 294.351 1.701 10 0 CDAEHM O=C(c1cc([O-])c2ccccc2c1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000863757021 745870390 /nfs/dbraw/zinc/87/03/90/745870390.db2.gz RLTGBRBVGRDLAI-TZMCWYRMSA-N -1 3 297.310 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Nc1ccc(C(=O)N[C@@H]2CCCn3nccc32)c([O-])c1 ZINC000871021105 749229886 /nfs/dbraw/zinc/22/98/86/749229886.db2.gz PXHBJYWBLDBDNJ-LLVKDONJSA-N -1 3 272.308 1.436 10 0 CDAEHM COc1ccc(C(=O)N(C)[C@@H]2CC[C@H]2OC)c([O-])c1 ZINC000724131370 749307205 /nfs/dbraw/zinc/30/72/05/749307205.db2.gz YLYBIQPIFHDHEQ-DGCLKSJQSA-N -1 3 265.309 1.650 10 0 CDAEHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000866812173 749346142 /nfs/dbraw/zinc/34/61/42/749346142.db2.gz AMTSSXPYNIQYES-NSHDSACASA-N -1 3 287.385 1.269 10 0 CDAEHM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1cnncc1[O-] ZINC001620689222 1165667813 /nfs/dbraw/zinc/66/78/13/1165667813.db2.gz KATJEWVMNNOORX-UKRRQHHQSA-N -1 3 269.304 1.642 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@H](C)C1CC1 ZINC001627152112 1165979828 /nfs/dbraw/zinc/97/98/28/1165979828.db2.gz CMWOWENVNFBRPA-KWQFWETISA-N -1 3 251.330 1.051 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)NCCNc1ncccn1 ZINC001631883292 1166311017 /nfs/dbraw/zinc/31/10/17/1166311017.db2.gz NCYYACBHQJXTOD-UHFFFAOYSA-N -1 3 290.298 1.092 10 0 CDAEHM CCOc1nnc(NC(=O)c2cccc(OC)c2C)[n-]1 ZINC000691131288 913919828 /nfs/dbraw/zinc/91/98/28/913919828.db2.gz IPUNMUSROKEYDO-UHFFFAOYSA-N -1 3 276.296 1.773 10 0 CDAEHM CCOc1nc(NC(=O)c2cccc(OC)c2C)n[n-]1 ZINC000691131288 913919838 /nfs/dbraw/zinc/91/98/38/913919838.db2.gz IPUNMUSROKEYDO-UHFFFAOYSA-N -1 3 276.296 1.773 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2cccc(OC)c2C)n1 ZINC000691131288 913919849 /nfs/dbraw/zinc/91/98/49/913919849.db2.gz IPUNMUSROKEYDO-UHFFFAOYSA-N -1 3 276.296 1.773 10 0 CDAEHM CC(C)C(C)(C)C(=O)NCCNC(=O)c1ccccc1[O-] ZINC001282914996 895383247 /nfs/dbraw/zinc/38/32/47/895383247.db2.gz YFIVWKODVUKTMY-UHFFFAOYSA-N -1 3 292.379 1.920 10 0 CDAEHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cccnc2F)O1 ZINC000401863243 901906096 /nfs/dbraw/zinc/90/60/96/901906096.db2.gz DVDHFMCRLDSIEM-RKDXNWHRSA-N -1 3 274.317 1.067 10 0 CDAEHM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cccnc2F)O1 ZINC000401863242 901906325 /nfs/dbraw/zinc/90/63/25/901906325.db2.gz DVDHFMCRLDSIEM-IUCAKERBSA-N -1 3 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CDAEHM CNC(=O)CCCNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000271226869 191014716 /nfs/dbraw/zinc/01/47/16/191014716.db2.gz DURSKAUQZXXGSF-UHFFFAOYSA-N -1 3 290.363 1.527 10 0 CDAEHM Cc1ccc(C(=O)N2CCc3nccnc3C2)c([O-])c1 ZINC000620420468 350176480 /nfs/dbraw/zinc/17/64/80/350176480.db2.gz IPZUSPHHINWLHW-UHFFFAOYSA-N -1 3 269.304 1.689 10 0 CDAEHM COc1ccc(C(=O)NC[C@@H]2CCOC2(C)C)c([O-])c1 ZINC000620506540 350230244 /nfs/dbraw/zinc/23/02/44/350230244.db2.gz GJDOTSLIGYDIGP-JTQLQIEISA-N -1 3 279.336 1.946 10 0 CDAEHM CC[C@@H](NC(=O)c1ccc(OC)cc1[O-])C(=O)OC ZINC000271350231 191087853 /nfs/dbraw/zinc/08/78/53/191087853.db2.gz HHKCXDWEWIXVNW-SNVBAGLBSA-N -1 3 267.281 1.082 10 0 CDAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cccc(C(F)F)c1 ZINC000271355900 191093889 /nfs/dbraw/zinc/09/38/89/191093889.db2.gz IFMRBBQGIJXZBZ-QMMMGPOBSA-N -1 3 283.234 1.161 10 0 CDAEHM C[C@H](O)[C@@H](NC(=O)Cc1cncc([O-])c1)c1ccccc1 ZINC000620999894 350400916 /nfs/dbraw/zinc/40/09/16/350400916.db2.gz VGTFVVPHJJIHPE-MEDUHNTESA-N -1 3 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200268879 /nfs/dbraw/zinc/26/88/79/200268879.db2.gz LVZSBQHWIJDORE-UHFFFAOYSA-N -1 3 277.309 1.011 10 0 CDAEHM O=C(Nc1nn[n-]c1C(=O)NC1CC1)c1ccsc1 ZINC000297725492 200268880 /nfs/dbraw/zinc/26/88/80/200268880.db2.gz LVZSBQHWIJDORE-UHFFFAOYSA-N -1 3 277.309 1.011 10 0 CDAEHM O=C(Nc1n[n-]nc1C(=O)NC1CC1)c1ccsc1 ZINC000297725492 200268882 /nfs/dbraw/zinc/26/88/82/200268882.db2.gz LVZSBQHWIJDORE-UHFFFAOYSA-N -1 3 277.309 1.011 10 0 CDAEHM CC[C@H](C)N1CCN(C(=O)c2ncc(C)cc2[O-])CC1 ZINC000456536103 363703757 /nfs/dbraw/zinc/70/37/57/363703757.db2.gz UZHVCCSVVLPELF-LBPRGKRZSA-N -1 3 277.368 1.652 10 0 CDAEHM COc1cc(=NC(=O)N(C)[C@H](C)c2ccco2)[n-]n1C ZINC000548501345 359938420 /nfs/dbraw/zinc/93/84/20/359938420.db2.gz VOMQKFNZRIYXCC-SECBINFHSA-N -1 3 278.312 1.669 10 0 CDAEHM COc1cccc(C(=O)N[C@H](C)C(OC)OC)c1[O-] ZINC000079611857 359989190 /nfs/dbraw/zinc/98/91/90/359989190.db2.gz KRWZCKIFPVRXSW-MRVPVSSYSA-N -1 3 269.297 1.138 10 0 CDAEHM COCCCn1nccc1CN1CCC[C@H](C)[C@@H]1C(=O)[O-] 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CDAEHM CC[C@@H](NC(=O)c1cccc([O-])c1)[C@H](O)C(C)C ZINC000413983198 241007099 /nfs/dbraw/zinc/00/70/99/241007099.db2.gz STVOPBUAEXAIME-CHWSQXEVSA-N -1 3 251.326 1.918 10 0 CDAEHM O=C(N[C@H](CO)c1ccc(F)cc1)c1cccc([O-])c1 ZINC000357490170 367025579 /nfs/dbraw/zinc/02/55/79/367025579.db2.gz RCULBACLZXEWJH-CQSZACIVSA-N -1 3 275.279 1.995 10 0 CDAEHM CC(F)(F)C(=O)[N-][C@H]1CCCN(c2ccccc2)C1=O ZINC000367283138 367223401 /nfs/dbraw/zinc/22/34/01/367223401.db2.gz SDFVBXIOFISQHH-NSHDSACASA-N -1 3 282.290 1.953 10 0 CDAEHM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]CCF ZINC000280764160 367522529 /nfs/dbraw/zinc/52/25/29/367522529.db2.gz NTCQBUGWIVKVEM-UHFFFAOYSA-N -1 3 275.301 1.029 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N(C)C)o1 ZINC000358476198 367712022 /nfs/dbraw/zinc/71/20/22/367712022.db2.gz QBMFDGJDKZBGPJ-NSHDSACASA-N -1 3 298.364 1.762 10 0 CDAEHM Cc1ccc([O-])c(CN[C@H](CO)C[C@H](O)C(C)(C)C)n1 ZINC000284141381 368491230 /nfs/dbraw/zinc/49/12/30/368491230.db2.gz VBLDNSGWHZBBJD-FZMZJTMJSA-N -1 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10 0 CDAEHM Cc1ccc([O-])c(CN[C@@H](C)C(=O)OC(C)C)n1 ZINC000449661008 392846883 /nfs/dbraw/zinc/84/68/83/392846883.db2.gz HMXJMDGEKBEUIF-JTQLQIEISA-N -1 3 252.314 1.525 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H]2CCC(C)(C)O2)c1 ZINC000494334720 392978345 /nfs/dbraw/zinc/97/83/45/392978345.db2.gz VQRJZPJSODCODI-JTQLQIEISA-N -1 3 287.385 1.139 10 0 CDAEHM COC(=O)c1[n-]c(=NC[C@@H](O)C2CCC2)sc1C ZINC000450919796 393006383 /nfs/dbraw/zinc/00/63/83/393006383.db2.gz QJPJUDRQJVGVMH-SECBINFHSA-N -1 3 270.354 1.233 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C(=O)N1CCC(C)CC1 ZINC000649230827 393124541 /nfs/dbraw/zinc/12/45/41/393124541.db2.gz YWKSHFCFGVORLQ-UHFFFAOYSA-N -1 3 292.383 1.460 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000649233172 393130541 /nfs/dbraw/zinc/13/05/41/393130541.db2.gz BZHPWTNPILXLMT-JTQLQIEISA-N -1 3 278.356 1.070 10 0 CDAEHM CCOc1cc(C(=O)[N-]c2cc(COC)ccn2)on1 ZINC000650953420 397726146 /nfs/dbraw/zinc/72/61/46/397726146.db2.gz JPDDZNWOLXTYSL-UHFFFAOYSA-N 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3 253.287 1.085 10 0 CDAEHM CCc1ncsc1C(=O)Nc1nc(OC)n[n-]1 ZINC000182982192 148280224 /nfs/dbraw/zinc/28/02/24/148280224.db2.gz FHGAFWKHFJDHSM-UHFFFAOYSA-N -1 3 253.287 1.085 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1ccnc(C2CC2)n1 ZINC000352499399 155228824 /nfs/dbraw/zinc/22/88/24/155228824.db2.gz GHPTYWHHAUBNRL-UHFFFAOYSA-N -1 3 270.292 1.385 10 0 CDAEHM CC(C)CCn1cc(C(=O)NCc2ncccc2[O-])nn1 ZINC000352500624 155230346 /nfs/dbraw/zinc/23/03/46/155230346.db2.gz KWIDOTSRCRWEOH-UHFFFAOYSA-N -1 3 289.339 1.355 10 0 CDAEHM Cc1noc(Cl)c1CCC(=O)NCc1ncccc1[O-] ZINC000352506079 155234279 /nfs/dbraw/zinc/23/42/79/155234279.db2.gz DCCQIJTZSGGRHI-UHFFFAOYSA-N -1 3 295.726 1.986 10 0 CDAEHM COC(=O)c1cccc(C(=O)NCc2ncccc2[O-])c1 ZINC000352511488 155239265 /nfs/dbraw/zinc/23/92/65/155239265.db2.gz YHWWSSDUDIERDS-UHFFFAOYSA-N -1 3 286.287 1.504 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2n[nH]c(C)n2)o1 ZINC000352538520 155257055 /nfs/dbraw/zinc/25/70/55/155257055.db2.gz LKSJESFBYHMDKG-ZETCQYMHSA-N -1 3 270.314 1.054 10 0 CDAEHM CC1(C)COC[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000335152383 150343679 /nfs/dbraw/zinc/34/36/79/150343679.db2.gz QDJXBUDLWKZYDZ-GFCCVEGCSA-N -1 3 267.300 1.615 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N(C)[C@@H]2CN3CCC2CC3)c1 ZINC000335918255 151112185 /nfs/dbraw/zinc/11/21/85/151112185.db2.gz UQTMOGGDGAZMQJ-CQSZACIVSA-N -1 3 274.364 1.867 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CN(C3CC3)C[C@H]2C)o1 ZINC000335965090 151154538 /nfs/dbraw/zinc/15/45/38/151154538.db2.gz KGAKKISAUSZTTP-BXKDBHETSA-N -1 3 284.381 1.349 10 0 CDAEHM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)c2ccco2)C1 ZINC000336216500 151366382 /nfs/dbraw/zinc/36/63/82/151366382.db2.gz IGOUWNKRAJNUSI-ZDUSSCGKSA-N -1 3 287.381 1.889 10 0 CDAEHM CCn1nccc1NC(=O)NCc1ncccc1[O-] ZINC000346918444 153348729 /nfs/dbraw/zinc/34/87/29/153348729.db2.gz RZXYBZSCIQRRLR-UHFFFAOYSA-N -1 3 261.285 1.325 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)CC(C)(C)OC)c1nccs1 ZINC000349593568 154150357 /nfs/dbraw/zinc/15/03/57/154150357.db2.gz YEKPYKLIDLXSBS-SECBINFHSA-N 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DKBQOTPZMNEEDZ-HNNXBMFYSA-N -1 3 290.367 1.394 10 0 CDAEHM CC12CC(C1)CN2C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000664496291 413438481 /nfs/dbraw/zinc/43/84/81/413438481.db2.gz HVZJBWCJGUUCGH-UHFFFAOYSA-N -1 3 285.303 1.586 10 0 CDAEHM CC[C@H](NC(=O)Cc1cncc([O-])c1)[C@@H]1CCCCO1 ZINC000655411237 412188182 /nfs/dbraw/zinc/18/81/82/412188182.db2.gz HSPRTXMZPYJFQQ-KBPBESRZSA-N -1 3 278.352 1.794 10 0 CDAEHM Cc1cc(=O)[n-]c(C=Cc2cn(C3CCC3)nn2)n1 ZINC000656613017 413498052 /nfs/dbraw/zinc/49/80/52/413498052.db2.gz DZRIKZCLCQUWCG-AATRIKPKSA-N -1 3 257.297 1.978 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1cccc2c1CCNC2 ZINC000662791416 413508006 /nfs/dbraw/zinc/50/80/06/413508006.db2.gz UOFNNEJABZOKIS-UHFFFAOYSA-N -1 3 283.331 1.363 10 0 CDAEHM CCN1CCN(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000035222102 172065387 /nfs/dbraw/zinc/06/53/87/172065387.db2.gz LFGBREOUFCADMG-UHFFFAOYSA-N -1 3 255.391 1.663 10 0 CDAEHM CCN(CC)CCc1noc(CCCCC(=O)[O-])n1 ZINC000035323711 172126331 /nfs/dbraw/zinc/12/63/31/172126331.db2.gz 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ZINC000040479739 174284325 /nfs/dbraw/zinc/28/43/25/174284325.db2.gz QNIFLWRJQWRGMD-ZYHUDNBSSA-N -1 3 258.362 1.511 10 0 CDAEHM O=C([O-])c1cc(F)ccc1NC(=O)CNC1CCCC1 ZINC000040480038 174284373 /nfs/dbraw/zinc/28/43/73/174284373.db2.gz MZRRJJRYRNZDRN-UHFFFAOYSA-N -1 3 280.299 1.995 10 0 CDAEHM CC(C)(C)N(CCC(=O)[O-])C(=O)C1(N)CCCC1 ZINC000040484513 174288265 /nfs/dbraw/zinc/28/82/65/174288265.db2.gz WJYROVXGFDUCHZ-UHFFFAOYSA-N -1 3 256.346 1.360 10 0 CDAEHM CN1CCC[C@H](NC(=O)Nc2cccc(F)c2C(=O)[O-])C1 ZINC000040716374 174383155 /nfs/dbraw/zinc/38/31/55/174383155.db2.gz XEKJBMAVFOQSHW-VIFPVBQESA-N -1 3 295.314 1.740 10 0 CDAEHM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NCCN1CCCCCC1 ZINC000040768010 174398229 /nfs/dbraw/zinc/39/82/29/174398229.db2.gz ZPQWYYZZEYMLBF-UONOGXRCSA-N -1 3 294.395 1.646 10 0 CDAEHM Cc1ccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c2cccnc12 ZINC000043506426 175059290 /nfs/dbraw/zinc/05/92/90/175059290.db2.gz CSHOLKWDXFNGLC-NSHDSACASA-N -1 3 298.302 1.080 10 0 CDAEHM C[C@@H](C(=O)N(CC(=O)[O-])CC1CC1)N1[C@H](C)CC[C@@H]1C ZINC000043559593 175065757 /nfs/dbraw/zinc/06/57/57/175065757.db2.gz FECDKJJRIFKFGS-TUAOUCFPSA-N -1 3 282.384 1.571 10 0 CDAEHM CCC[C@@H](N)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000043586229 175071588 /nfs/dbraw/zinc/07/15/88/175071588.db2.gz QPHFPFQKLBSORT-WDEREUQCSA-N -1 3 256.346 1.217 10 0 CDAEHM O=C([O-])[C@H]1c2ccsc2CCN1CCN1CCCC1 ZINC000044592275 175213777 /nfs/dbraw/zinc/21/37/77/175213777.db2.gz PFZNIGFSCJBPPU-CYBMUJFWSA-N -1 3 280.393 1.828 10 0 CDAEHM O=C([O-])c1ccc(NC(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000044681149 175229036 /nfs/dbraw/zinc/22/90/36/175229036.db2.gz ONGZSOKBFKKTJU-LBPRGKRZSA-N -1 3 289.335 1.743 10 0 CDAEHM COc1cccc(C2CC(NCc3nn[n-]n3)C2)c1 ZINC000044928593 175278728 /nfs/dbraw/zinc/27/87/28/175278728.db2.gz DLDVUBSNTIAHOZ-UHFFFAOYSA-N -1 3 259.313 1.244 10 0 CDAEHM COc1cccc(C2CC(NCc3nnn[n-]3)C2)c1 ZINC000044928593 175278730 /nfs/dbraw/zinc/27/87/30/175278730.db2.gz DLDVUBSNTIAHOZ-UHFFFAOYSA-N -1 3 259.313 1.244 10 0 CDAEHM C[C@H](CNC(=O)N(CCC(=O)[O-])C(C)(C)C)N(C)C ZINC000045111805 175310350 /nfs/dbraw/zinc/31/03/50/175310350.db2.gz MYYYVPCKLZCWFR-SNVBAGLBSA-N -1 3 273.377 1.221 10 0 CDAEHM CCN(CCCCCC(=O)[O-])CC(=O)NC(C)C ZINC000071286417 176109727 /nfs/dbraw/zinc/10/97/27/176109727.db2.gz RZPKCHSXQOYPDQ-UHFFFAOYSA-N -1 3 258.362 1.478 10 0 CDAEHM Cc1ccc([C@H](N)C(=O)[O-])cc1I ZINC000072197016 176339626 /nfs/dbraw/zinc/33/96/26/176339626.db2.gz AAZTXOLRFDPWHJ-QMMMGPOBSA-N -1 3 291.088 1.684 10 0 CDAEHM COc1cc(C)c([C@H](NC2CC2)C(=O)[O-])c(OC)c1 ZINC000076371393 177007978 /nfs/dbraw/zinc/00/79/78/177007978.db2.gz AAKPLDOHTPFTEY-ZDUSSCGKSA-N -1 3 265.309 1.890 10 0 CDAEHM O=C(c1ccccc1[O-])N1CC[C@@](O)(C(F)(F)F)C1 ZINC000077990059 177315391 /nfs/dbraw/zinc/31/53/91/177315391.db2.gz KORPTVMYDVAFPW-NSHDSACASA-N -1 3 275.226 1.532 10 0 CDAEHM O=C(NCCc1c[nH]cn1)c1cc(=O)c2ccccc2[n-]1 ZINC000078741741 177379831 /nfs/dbraw/zinc/37/98/31/177379831.db2.gz HYGHUFHZTNYVMD-UHFFFAOYSA-N -1 3 282.303 1.224 10 0 CDAEHM O=C(NCCc1cnc[nH]1)c1cc(=O)c2ccccc2[n-]1 ZINC000078741741 177379832 /nfs/dbraw/zinc/37/98/32/177379832.db2.gz HYGHUFHZTNYVMD-UHFFFAOYSA-N -1 3 282.303 1.224 10 0 CDAEHM C[C@H](CCNC(=O)N(C)CCN1CCCC1)CCC(=O)[O-] ZINC000079076931 177428748 /nfs/dbraw/zinc/42/87/48/177428748.db2.gz LKNQLDNFRHJJEZ-ZDUSSCGKSA-N -1 3 299.415 1.615 10 0 CDAEHM CC1(C)COC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000313065385 260243041 /nfs/dbraw/zinc/24/30/41/260243041.db2.gz MYLAMJIXGZPBKI-NSHDSACASA-N -1 3 251.282 1.253 10 0 CDAEHM Cc1nn(C)cc1[C@H](C)[N-]S(=O)(=O)c1cscn1 ZINC000518176293 260349329 /nfs/dbraw/zinc/34/93/29/260349329.db2.gz ROWPLISTLQPRLU-QMMMGPOBSA-N -1 3 286.382 1.225 10 0 CDAEHM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1n[n-]c(OC)n1 ZINC000185002915 270255359 /nfs/dbraw/zinc/25/53/59/270255359.db2.gz VRTYBNBPEZZHHK-VHSXEESVSA-N -1 3 282.344 1.737 10 0 CDAEHM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1nc(OC)n[n-]1 ZINC000185002915 270255360 /nfs/dbraw/zinc/25/53/60/270255360.db2.gz VRTYBNBPEZZHHK-VHSXEESVSA-N -1 3 282.344 1.737 10 0 CDAEHM COc1cccc(S(=O)(=O)[N-]CC[C@H](C)F)c1F ZINC000655598743 424154307 /nfs/dbraw/zinc/15/43/07/424154307.db2.gz NCLIQCUUBQKMDM-QMMMGPOBSA-N -1 3 279.308 1.861 10 0 CDAEHM CCN(C(=O)COC(=O)c1ccc([O-])cc1O)C1CC1 ZINC000046220396 424196351 /nfs/dbraw/zinc/19/63/51/424196351.db2.gz CBACDONMUBHSHP-UHFFFAOYSA-N -1 3 279.292 1.266 10 0 CDAEHM C[C@H](C(=O)[O-])C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000122078324 424286313 /nfs/dbraw/zinc/28/63/13/424286313.db2.gz RHUIVWBGFJSVSQ-CMPLNLGQSA-N -1 3 264.325 1.126 10 0 CDAEHM C[C@H]([N-]S(=O)(=O)c1c[nH]cn1)C1CCC(F)(F)CC1 ZINC000655663254 424329133 /nfs/dbraw/zinc/32/91/33/424329133.db2.gz BKBJZWAXSYZHHT-QMMMGPOBSA-N -1 3 293.339 1.902 10 0 CDAEHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc2n(n1)CCCC2 ZINC000652490519 424494443 /nfs/dbraw/zinc/49/44/43/424494443.db2.gz KXXLVMBSRPLYRJ-DFBGVHRSSA-N -1 3 289.379 1.905 10 0 CDAEHM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1nnc(OC)[n-]1 ZINC000185002915 270255357 /nfs/dbraw/zinc/25/53/57/270255357.db2.gz VRTYBNBPEZZHHK-VHSXEESVSA-N -1 3 282.344 1.737 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-][C@@]23C[C@@H]2COC3(C)C)c1 ZINC000528494838 270827437 /nfs/dbraw/zinc/82/74/37/270827437.db2.gz SGPMIXIHTATGPP-SKDRFNHKSA-N -1 3 287.406 1.902 10 0 CDAEHM Cc1cc(F)cc2c(=O)c(C(=O)NCC3COC3)c[n-]c12 ZINC000530117625 271110787 /nfs/dbraw/zinc/11/07/87/271110787.db2.gz QKZQYDVSBKELKV-UHFFFAOYSA-N -1 3 290.294 1.352 10 0 CDAEHM CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1c[n-]c2ccccc2c1=O ZINC000530273018 271191001 /nfs/dbraw/zinc/19/10/01/271191001.db2.gz JXJBVHGEMPVMOH-DYZYQPBXSA-N -1 3 298.342 1.825 10 0 CDAEHM COc1cnc(C(=O)N2CCCc3cccc([O-])c32)nc1 ZINC000344559530 278071469 /nfs/dbraw/zinc/07/14/69/278071469.db2.gz APYPHFZEIAZJBT-UHFFFAOYSA-N -1 3 285.303 1.784 10 0 CDAEHM CC(C)C[C@H](CNC(=O)N(C)C[C@H]1CCCN1C)C(=O)[O-] ZINC000094706383 279148908 /nfs/dbraw/zinc/14/89/08/279148908.db2.gz NGKPBTKBDYNGOH-CHWSQXEVSA-N -1 3 299.415 1.469 10 0 CDAEHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000246185794 280261837 /nfs/dbraw/zinc/26/18/37/280261837.db2.gz SFNYSOBRTWSZHX-UTUOFQBUSA-N -1 3 295.383 1.115 10 0 CDAEHM O=C(c1cccc2[n-]nnc21)N1CCC[C@@H]2COCC[C@H]21 ZINC000527357177 281131296 /nfs/dbraw/zinc/13/12/96/281131296.db2.gz CORBNYQWPMENCJ-ZWNOBZJWSA-N -1 3 286.335 1.599 10 0 CDAEHM O=C(c1cccc2nn[n-]c21)N1CCC[C@@H]2COCC[C@H]21 ZINC000527357177 281131297 /nfs/dbraw/zinc/13/12/97/281131297.db2.gz CORBNYQWPMENCJ-ZWNOBZJWSA-N -1 3 286.335 1.599 10 0 CDAEHM O=C(c1cccc2n[n-]nc21)N1CCC[C@@H]2COCC[C@H]21 ZINC000527357177 281131298 /nfs/dbraw/zinc/13/12/98/281131298.db2.gz CORBNYQWPMENCJ-ZWNOBZJWSA-N -1 3 286.335 1.599 10 0 CDAEHM CC1CCN(CC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)CC1 ZINC000527499383 281145480 /nfs/dbraw/zinc/14/54/80/281145480.db2.gz AKIQERVXDGBKHM-ZDUSSCGKSA-N -1 3 292.383 1.354 10 0 CDAEHM C[C@H](C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cnn(C)c1 ZINC000527499824 281145767 /nfs/dbraw/zinc/14/57/67/281145767.db2.gz AAAFEMOEKGFWBQ-CABZTGNLSA-N -1 3 289.339 1.159 10 0 CDAEHM CCn1ncc(C[N-]S(=O)(=O)c2cccc(F)c2C)n1 ZINC000528445438 281231385 /nfs/dbraw/zinc/23/13/85/281231385.db2.gz FBBYWBCUBNGALI-UHFFFAOYSA-N -1 3 298.343 1.224 10 0 CDAEHM O=S(=O)([N-]CC[C@H]1CCCOC1)c1cncc(F)c1 ZINC000528449150 281233743 /nfs/dbraw/zinc/23/37/43/281233743.db2.gz LQFWXSMEXPAWEH-SNVBAGLBSA-N -1 3 288.344 1.316 10 0 CDAEHM Cn1ccc(S(=O)(=O)[N-]CC[C@@H]2CC=CCC2)n1 ZINC000528531644 281254867 /nfs/dbraw/zinc/25/48/67/281254867.db2.gz ZIMHBCMLADRIBT-LLVKDONJSA-N -1 3 269.370 1.445 10 0 CDAEHM CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1ccc(O)cc1[O-] ZINC000529793049 281363532 /nfs/dbraw/zinc/36/35/32/281363532.db2.gz OAYHTWHABHDOCA-RMLUDKJBSA-N -1 3 263.293 1.395 10 0 CDAEHM Cc1nc2[nH]ccc2c(N2CCc3nc[n-]c(=O)c3C2)n1 ZINC000433819641 282005201 /nfs/dbraw/zinc/00/52/01/282005201.db2.gz QHQSDWFAXMHKOG-UHFFFAOYSA-N -1 3 282.307 1.325 10 0 CDAEHM CCc1cccc(C(=O)N2CCO[C@@]3(CCOC3)C2)c1[O-] ZINC000547425134 289772461 /nfs/dbraw/zinc/77/24/61/289772461.db2.gz QEVKWZYGZSCBCV-INIZCTEOSA-N -1 3 291.347 1.586 10 0 CDAEHM COc1cc(=NC(=O)CCC(=O)c2cccs2)[n-]n1C ZINC000547816893 289812037 /nfs/dbraw/zinc/81/20/37/289812037.db2.gz JGLZTUSGMIYYEX-UHFFFAOYSA-N -1 3 293.348 1.514 10 0 CDAEHM COc1cc(=NC(=O)NCC2(C(C)C)CC2)[n-]n1C ZINC000548494161 289895414 /nfs/dbraw/zinc/89/54/14/289895414.db2.gz IGMFXEVIRNKBEL-UHFFFAOYSA-N -1 3 266.345 1.408 10 0 CDAEHM Cc1ccccc1CC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000549729618 289974449 /nfs/dbraw/zinc/97/44/49/289974449.db2.gz YRKLIKVHASDGNE-CYBMUJFWSA-N -1 3 299.378 1.442 10 0 CDAEHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1nc(C)n(C)n1 ZINC000552599387 290076880 /nfs/dbraw/zinc/07/68/80/290076880.db2.gz VJMOZQWLNUNAPC-UHFFFAOYSA-N -1 3 275.312 1.625 10 0 CDAEHM O=C(COc1ccsc1)N=c1cc2ccccn2[n-]1 ZINC000552993052 290088664 /nfs/dbraw/zinc/08/86/64/290088664.db2.gz KPHBLNWVCQCFTK-UHFFFAOYSA-N -1 3 273.317 1.835 10 0 CDAEHM CC(C)(C[N-]S(=O)(=O)c1cccnc1)C(F)(F)F ZINC000554674269 290187085 /nfs/dbraw/zinc/18/70/85/290187085.db2.gz CKOXVRQFOZWOQN-UHFFFAOYSA-N -1 3 282.287 1.948 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2CC[C@H](OC(F)F)C2)cs1 ZINC000555347383 290215905 /nfs/dbraw/zinc/21/59/05/290215905.db2.gz DYIYIODWZMFMCH-ZETCQYMHSA-N -1 3 291.323 1.451 10 0 CDAEHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000560727579 290516982 /nfs/dbraw/zinc/51/69/82/290516982.db2.gz LWPVUKBMEJKKDD-MVWJERBFSA-N -1 3 296.330 1.447 10 0 CDAEHM COc1cc(=NC(=O)[C@H]2CCC(=O)c3ccccc32)[n-]n1C ZINC000565495977 293624830 /nfs/dbraw/zinc/62/48/30/293624830.db2.gz DZPCOXUIYXJRKK-LBPRGKRZSA-N -1 3 299.330 1.549 10 0 CDAEHM CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)CCC(C)C)C(=O)OC ZINC000567779013 293869635 /nfs/dbraw/zinc/86/96/35/293869635.db2.gz VCQFRXRUHAMINO-VXGBXAGGSA-N -1 3 293.429 1.930 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-][C@H]2CC3CCC2CC3)cn1C ZINC000568344795 294016694 /nfs/dbraw/zinc/01/66/94/294016694.db2.gz XXKZSCWSMDFARJ-MCIGGMRASA-N -1 3 283.397 1.586 10 0 CDAEHM O=C(c1csc(=O)[n-]1)N1CCOC[C@@H]1CC1CCC1 ZINC000570754282 294301932 /nfs/dbraw/zinc/30/19/32/294301932.db2.gz MORDEXYSCCVJIA-JTQLQIEISA-N -1 3 282.365 1.880 10 0 CDAEHM CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccco1)C(=O)OC ZINC000571204733 294389141 /nfs/dbraw/zinc/38/91/41/294389141.db2.gz SVRFIRKRZPMVHY-NXEZZACHSA-N -1 3 289.353 1.536 10 0 CDAEHM Cn1cc(C(=O)N=c2cc(C3(C)CCCC3)o[n-]2)nn1 ZINC000574607231 295026286 /nfs/dbraw/zinc/02/62/86/295026286.db2.gz QRCWPOXIGKTRRY-UHFFFAOYSA-N -1 3 275.312 1.309 10 0 CDAEHM Cc1cc(C(=O)N2CCSC[C@@H]2C2CC2)[n-]c(=O)n1 ZINC000333972615 301110834 /nfs/dbraw/zinc/11/08/34/301110834.db2.gz XFTUCWNAVTWYHQ-LLVKDONJSA-N -1 3 279.365 1.458 10 0 CDAEHM N[C@@H]1C[C@@H](C(=O)[O-])Oc2ccc(Br)cc21 ZINC000040544511 303475140 /nfs/dbraw/zinc/47/51/40/303475140.db2.gz YFIMBERLQFNBNG-APPZFPTMSA-N -1 3 272.098 1.685 10 0 CDAEHM Cc1cccc(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)c1[O-] ZINC000177411218 315933873 /nfs/dbraw/zinc/93/38/73/315933873.db2.gz MGNNQNGWGKQCNI-MNOVXSKESA-N -1 3 276.336 1.475 10 0 CDAEHM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccccc1F ZINC000566338774 316557821 /nfs/dbraw/zinc/55/78/21/316557821.db2.gz VDXXHSAQILDBQM-PWSUYJOCSA-N -1 3 289.372 1.901 10 0 CDAEHM O=C(CNC(=O)c1cccc([O-])c1)N1CCCC12CCC2 ZINC000576219176 317097199 /nfs/dbraw/zinc/09/71/99/317097199.db2.gz YUPVASBSYXMWQX-UHFFFAOYSA-N -1 3 288.347 1.667 10 0 CDAEHM CC1(C)COC[C@@H]1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000576919324 317230158 /nfs/dbraw/zinc/23/01/58/317230158.db2.gz JRLLBXASONQGFQ-JTQLQIEISA-N -1 3 278.287 1.252 10 0 CDAEHM CC1(C)COC[C@@H]1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000576919324 317230162 /nfs/dbraw/zinc/23/01/62/317230162.db2.gz JRLLBXASONQGFQ-JTQLQIEISA-N -1 3 278.287 1.252 10 0 CDAEHM CC1(C)COC[C@@H]1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000576919324 317230165 /nfs/dbraw/zinc/23/01/65/317230165.db2.gz JRLLBXASONQGFQ-JTQLQIEISA-N -1 3 278.287 1.252 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2C2CC2)c1 ZINC000579069412 324093512 /nfs/dbraw/zinc/09/35/12/324093512.db2.gz IOFJQBZIEWPWMU-WCQYABFASA-N -1 3 274.320 1.879 10 0 CDAEHM COC1CCC(CNc2ccncc2C(=O)[O-])CC1 ZINC000582065559 324895297 /nfs/dbraw/zinc/89/52/97/324895297.db2.gz UZCRMHJIWKYPME-UHFFFAOYSA-N -1 3 264.325 1.819 10 0 CDAEHM CCc1cccc(C(=O)N[C@@H](CF)C(=O)OC)c1[O-] ZINC000583892719 325262433 /nfs/dbraw/zinc/26/24/33/325262433.db2.gz SUPKNLCWSXFSAO-JTQLQIEISA-N -1 3 269.272 1.196 10 0 CDAEHM CCCN(C)S(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000672429944 482580871 /nfs/dbraw/zinc/58/08/71/482580871.db2.gz XCXSKLXFHUFQAH-MRVPVSSYSA-N -1 3 256.318 1.350 10 0 CDAEHM CN1CCC[C@@H](C(=O)NCc2ccc([O-])c(F)c2)C1=O ZINC000336206367 482903057 /nfs/dbraw/zinc/90/30/57/482903057.db2.gz XTYHOJYPSORLRU-JTQLQIEISA-N -1 3 280.299 1.016 10 0 CDAEHM CC1=C[C@H](C)CN(Cc2nc3c(cnn3C)c(=O)[n-]2)C1 ZINC000684669583 482929627 /nfs/dbraw/zinc/92/96/27/482929627.db2.gz WDFBCKIJKGWOLM-VIFPVBQESA-N -1 3 273.340 1.467 10 0 CDAEHM CO[C@H](C)CS(=O)(=O)[N-]c1cnn(-c2ccncc2)c1 ZINC000669821087 483158036 /nfs/dbraw/zinc/15/80/36/483158036.db2.gz SKPXUIMZPFPPOO-SNVBAGLBSA-N -1 3 296.352 1.044 10 0 CDAEHM CCN1CCC[C@@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)C1 ZINC000163948041 483235570 /nfs/dbraw/zinc/23/55/70/483235570.db2.gz DRTVNBAXSSQREP-MNOVXSKESA-N -1 3 270.373 1.334 10 0 CDAEHM CCOc1nc(C(=O)[N-]c2ncc(C(C)=O)s2)co1 ZINC000680370475 483599149 /nfs/dbraw/zinc/59/91/49/483599149.db2.gz GIDRITSMYVJKGE-UHFFFAOYSA-N -1 3 281.293 1.985 10 0 CDAEHM CC(C)[C@H](CN(C)C)Nc1ccc(C(=O)[O-])nn1 ZINC000049226196 519814941 /nfs/dbraw/zinc/81/49/41/519814941.db2.gz FTYYKMCUOCXECD-JTQLQIEISA-N -1 3 252.318 1.173 10 0 CDAEHM CCN(C(=O)N[C@H](CN(C)C)C(C)C)C(C)(C)C(=O)[O-] ZINC000061175634 519987668 /nfs/dbraw/zinc/98/76/68/519987668.db2.gz MDXHERGANNCPPS-LLVKDONJSA-N -1 3 287.404 1.467 10 0 CDAEHM CC(C)C[C@H](N)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000061564348 519369242 /nfs/dbraw/zinc/36/92/42/519369242.db2.gz LOEZSDSLVAGHKZ-JTQLQIEISA-N -1 3 286.278 1.975 10 0 CDAEHM CC(C)[C@@H](CN(C)C)NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000049230349 519793308 /nfs/dbraw/zinc/79/33/08/519793308.db2.gz SGPJSMLDGKWKAM-VXGBXAGGSA-N -1 3 285.388 1.079 10 0 CDAEHM CCNC(C)(C)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000061297675 519904519 /nfs/dbraw/zinc/90/45/19/519904519.db2.gz BIEOVLPZRBLWDQ-LBPRGKRZSA-N -1 3 292.335 1.253 10 0 CDAEHM CCN(C(=O)NC[C@@H](C)N1CCCCC1)[C@@H](C)CC(=O)[O-] ZINC000061214578 519964585 /nfs/dbraw/zinc/96/45/85/519964585.db2.gz XKQGSHCLYWCKBF-QWHCGFSZSA-N -1 3 299.415 1.756 10 0 CDAEHM CCN(CC(=O)N(CC)C1CC1)C[C@H](C)C(=O)[O-] ZINC000061218859 520308250 /nfs/dbraw/zinc/30/82/50/520308250.db2.gz DZQLCGNGWRYQIJ-JTQLQIEISA-N -1 3 256.346 1.040 10 0 CDAEHM CCN(CC(=O)N1CCCCC1)[C@@H](C)CC(=O)[O-] ZINC000061183291 520308942 /nfs/dbraw/zinc/30/89/42/520308942.db2.gz YNEMGVQGMPJEPU-NSHDSACASA-N -1 3 256.346 1.184 10 0 CDAEHM CCO[C@@H](CN1CCN(c2cccc(C)c2)CC1)C(=O)[O-] ZINC000062750721 520310813 /nfs/dbraw/zinc/31/08/13/520310813.db2.gz RVBUFDBUAHEEFV-HNNXBMFYSA-N -1 3 292.379 1.607 10 0 CDAEHM CCN(CC(=O)NCc1ccc(F)cc1)C[C@@H](C)C(=O)[O-] ZINC000061221033 520337622 /nfs/dbraw/zinc/33/76/22/520337622.db2.gz GMEGAFWKOBYGNC-LLVKDONJSA-N -1 3 296.342 1.485 10 0 CDAEHM CCOc1ccc(CN[C@@]2(C(=O)[O-])CCOC2)cc1OC ZINC000340687459 521008458 /nfs/dbraw/zinc/00/84/58/521008458.db2.gz ZWGATCGSYKYARC-HNNXBMFYSA-N -1 3 295.335 1.427 10 0 CDAEHM CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000182444716 521042113 /nfs/dbraw/zinc/04/21/13/521042113.db2.gz OJYXFOXYIZVFHT-UWVGGRQHSA-N -1 3 265.309 1.710 10 0 CDAEHM CCCC[C@@H](N)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000061609167 521065441 /nfs/dbraw/zinc/06/54/41/521065441.db2.gz IDBHRKSGJQBRRX-CHWSQXEVSA-N -1 3 278.352 1.489 10 0 CDAEHM CCC[C@H](N)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000050927289 521106788 /nfs/dbraw/zinc/10/67/88/521106788.db2.gz PYWUBDFOZVDVDV-QWRGUYRKSA-N -1 3 256.346 1.360 10 0 CDAEHM CCC[C@H](NC(=O)N[C@@H](CN(C)C)C(C)C)C(=O)[O-] ZINC000049230667 521133510 /nfs/dbraw/zinc/13/35/10/521133510.db2.gz QOYPRYRXEHOQQU-QWRGUYRKSA-N -1 3 273.377 1.125 10 0 CDAEHM CCC(CC)(CC(=O)NCCN1CCCCC1)C(=O)[O-] ZINC000049575065 521387027 /nfs/dbraw/zinc/38/70/27/521387027.db2.gz LXIFENLJEOMPJR-UHFFFAOYSA-N -1 3 284.400 1.870 10 0 CDAEHM CNCCS(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000049630135 522016869 /nfs/dbraw/zinc/01/68/69/522016869.db2.gz QWGRVGBDUKLEFU-UHFFFAOYSA-N -1 3 280.296 1.249 10 0 CDAEHM COCCNCc1ccccc1O[C@H](C)C(=O)[O-] ZINC000062729688 523956069 /nfs/dbraw/zinc/95/60/69/523956069.db2.gz FTCQJOUZBSQLRH-SNVBAGLBSA-N -1 3 253.298 1.275 10 0 CDAEHM COCCOc1cccc(CN[C@]2(C(=O)[O-])CCOC2)c1 ZINC000340680424 524055661 /nfs/dbraw/zinc/05/56/61/524055661.db2.gz PTEGIDUBBBJYEH-OAHLLOKOSA-N -1 3 295.335 1.045 10 0 CDAEHM C[C@@H](CN1CCCC1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000049188757 524589189 /nfs/dbraw/zinc/58/91/89/524589189.db2.gz NSFQBELSJDJSQC-NSHDSACASA-N -1 3 276.336 1.599 10 0 CDAEHM C[C@@H](CN1CCCCC1)NC(=O)NC1(C(=O)[O-])CCCC1 ZINC000049502768 524602125 /nfs/dbraw/zinc/60/21/25/524602125.db2.gz HSRSPKYKQRBZIJ-LBPRGKRZSA-N -1 3 297.399 1.557 10 0 CDAEHM C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000049502730 524602592 /nfs/dbraw/zinc/60/25/92/524602592.db2.gz IPQMFONRLXADFV-RYUDHWBXSA-N -1 3 283.372 1.119 10 0 CDAEHM Cc1cc(C[C@H](C)NC(=O)c2cccc([O-])c2)[nH]n1 ZINC000182831235 524836502 /nfs/dbraw/zinc/83/65/02/524836502.db2.gz ZYWYGXLISMZUSG-VIFPVBQESA-N -1 3 259.309 1.785 10 0 CDAEHM Cc1cc2cc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)ccc2[nH]1 ZINC000056888392 525643060 /nfs/dbraw/zinc/64/30/60/525643060.db2.gz LDQNORMECVLUPQ-NSHDSACASA-N -1 3 286.291 1.013 10 0 CDAEHM C[C@H](O)CC(C)(C)CNC(=O)c1cccc([O-])c1 ZINC000182533696 525705968 /nfs/dbraw/zinc/70/59/68/525705968.db2.gz XUIYKDHRTHDSBM-JTQLQIEISA-N -1 3 251.326 1.919 10 0 CDAEHM C[C@H](C(=O)N1CCCC1)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925414 525961613 /nfs/dbraw/zinc/96/16/13/525961613.db2.gz MCASGHPRGFQBTC-CHWSQXEVSA-N -1 3 282.384 1.717 10 0 CDAEHM Cc1nnc(N[C@H]2CCCN(C)C2)c(C(=O)[O-])c1C ZINC000054529363 526373913 /nfs/dbraw/zinc/37/39/13/526373913.db2.gz HRWLYBJFIQKQOG-JTQLQIEISA-N -1 3 264.329 1.298 10 0 CDAEHM O=C(CCCNC(=O)C1CC1)[N-]OCc1ccc(F)cc1 ZINC000184242778 526436297 /nfs/dbraw/zinc/43/62/97/526436297.db2.gz KQLYULMJBDBRHL-UHFFFAOYSA-N -1 3 294.326 1.680 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000182889133 526769292 /nfs/dbraw/zinc/76/92/92/526769292.db2.gz JXMFFIXJFURHTO-GFCCVEGCSA-N -1 3 286.335 1.536 10 0 CDAEHM Cc1nc(N(C)[C@H]2CCCN(C)C2)sc1C(=O)[O-] ZINC000054968342 526951766 /nfs/dbraw/zinc/95/17/66/526951766.db2.gz QVNNPRHKGJNIDW-VIFPVBQESA-N -1 3 269.370 1.680 10 0 CDAEHM O=S(=O)([N-]c1ccc2c(c1)CNCC2)c1cccnc1 ZINC000069052810 527249323 /nfs/dbraw/zinc/24/93/23/527249323.db2.gz GWAINDDBBADVBB-UHFFFAOYSA-N -1 3 289.360 1.528 10 0 CDAEHM CCNC(=O)N1CC[C@H](NCc2cccc([O-])c2Cl)C1 ZINC000293438878 528155801 /nfs/dbraw/zinc/15/58/01/528155801.db2.gz BUCFIBWJAHTOJX-NSHDSACASA-N -1 3 297.786 1.939 10 0 CDAEHM COCCN(Cc1nc(C)ccc1[O-])[C@@H]1CCOC1 ZINC000426499944 536849988 /nfs/dbraw/zinc/84/99/88/536849988.db2.gz SCDDODCSELTSGZ-GFCCVEGCSA-N -1 3 266.341 1.333 10 0 CDAEHM COC(=O)c1cnc(SCc2nnc(C)n2C2CC2)[n-]1 ZINC000187583857 536863603 /nfs/dbraw/zinc/86/36/03/536863603.db2.gz AIJJCZIPNGUNCA-UHFFFAOYSA-N -1 3 293.352 1.723 10 0 CDAEHM C[C@@H]1CCC[C@H](C)N1CC[N-]C(=O)C(F)(F)F ZINC000730787287 575008036 /nfs/dbraw/zinc/00/80/36/575008036.db2.gz URJHVMKPUIXUKT-DTORHVGOSA-N -1 3 252.280 1.928 10 0 CDAEHM CCCCCC[C@@H](C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000731867621 575068730 /nfs/dbraw/zinc/06/87/30/575068730.db2.gz OGBNGFYOUUNDHZ-SNVBAGLBSA-N -1 3 269.345 1.013 10 0 CDAEHM NC(=O)C1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCCC1 ZINC000733780977 575138803 /nfs/dbraw/zinc/13/88/03/575138803.db2.gz SLIJNJMHFLGYTE-UHFFFAOYSA-N -1 3 299.330 1.056 10 0 CDAEHM CNC(=O)c1cccc(CCC(=O)[N-]OC2CCCC2)c1 ZINC000774868647 575247456 /nfs/dbraw/zinc/24/74/56/575247456.db2.gz WYAJEEIKKYNCLE-UHFFFAOYSA-N -1 3 290.363 1.969 10 0 CDAEHM C[C@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)n1cccn1 ZINC000772482228 575708006 /nfs/dbraw/zinc/70/80/06/575708006.db2.gz 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/nfs/dbraw/zinc/07/65/28/576076528.db2.gz MOGXHVFSRKOMIC-UHFFFAOYSA-N -1 3 294.384 1.666 10 0 CDAEHM CC(C)OC[C@@H](O)COC(=O)c1ccc(Cl)cc1[O-] ZINC000769086545 576328355 /nfs/dbraw/zinc/32/83/55/576328355.db2.gz YNQJVZSERKUXSD-SNVBAGLBSA-N -1 3 288.727 1.988 10 0 CDAEHM CN(C)c1nc(CO[N-]C(=O)C(C)(C)C)ns1 ZINC000760350355 576479367 /nfs/dbraw/zinc/47/93/67/576479367.db2.gz FKSFIJPSZIZLTO-UHFFFAOYSA-N -1 3 258.347 1.198 10 0 CDAEHM Cc1cc(=O)[nH]cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000755459853 576945617 /nfs/dbraw/zinc/94/56/17/576945617.db2.gz AQLWFIIURWONJS-UHFFFAOYSA-N -1 3 296.286 1.997 10 0 CDAEHM COCCO[N-]C(=O)C/C=C/c1cccc(F)c1 ZINC000749417787 576947827 /nfs/dbraw/zinc/94/78/27/576947827.db2.gz KEJUACLYILUQGJ-HWKANZROSA-N -1 3 253.273 1.923 10 0 CDAEHM COCCO[N-]C(=O)/C(C)=C\c1ccc(F)cc1 ZINC000749418370 576947855 /nfs/dbraw/zinc/94/78/55/576947855.db2.gz UKVDUTXGUAMZEU-KTKRTIGZSA-N -1 3 253.273 1.923 10 0 CDAEHM CC(C)(C)n1cc([C@@H]2C[C@@H](C(=O)[O-])CCN2)cn1 ZINC000757240303 577036904 /nfs/dbraw/zinc/03/69/04/577036904.db2.gz VUYZHTMFWMITRX-ONGXEEELSA-N -1 3 251.330 1.763 10 0 CDAEHM O=C([N-]c1nc2cc[nH]cc-2n1)c1ncc(F)cc1F ZINC000758891370 577138980 /nfs/dbraw/zinc/13/89/80/577138980.db2.gz QXXGLLVJSHQGAF-UHFFFAOYSA-N -1 3 275.218 1.883 10 0 CDAEHM CC[C@@H](C)CC(=O)NCc1nc(CNCCF)cc(=O)[n-]1 ZINC001689137212 1175099463 /nfs/dbraw/zinc/09/94/63/1175099463.db2.gz IZPRWXMAISTASE-SNVBAGLBSA-N -1 3 298.362 1.294 10 0 CDAEHM Cn1ncc(C[N-]c2nc(-c3ccccc3)no2)n1 ZINC000804849776 617361266 /nfs/dbraw/zinc/36/12/66/617361266.db2.gz XSJKMZHNTQVCTQ-UHFFFAOYSA-N -1 3 256.269 1.477 10 0 CDAEHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000935136523 618030566 /nfs/dbraw/zinc/03/05/66/618030566.db2.gz BWTPSQVDBCZZMH-JUOYZQDGSA-N -1 3 263.268 1.893 10 0 CDAEHM C[C@@](CCF)(NCc1cc2n(n1)CCC2)C(=O)[O-] ZINC000901914922 618335965 /nfs/dbraw/zinc/33/59/65/618335965.db2.gz GTRFGGYZYOPKOA-LBPRGKRZSA-N -1 3 255.293 1.122 10 0 CDAEHM Cn1c(CN[C@@](C)(CCF)C(=O)[O-])nc2ccccc21 ZINC000901915480 618337477 /nfs/dbraw/zinc/33/74/77/618337477.db2.gz NLXHLFIZEJBAHP-AWEZNQCLSA-N -1 3 279.315 1.866 10 0 CDAEHM O=C([O-])[C@]1(F)CN(CC2=CCCOC2)CC12CCC2 ZINC000901909858 618362354 /nfs/dbraw/zinc/36/23/54/618362354.db2.gz DDZVMPLTECZMIC-CQSZACIVSA-N -1 3 269.316 1.612 10 0 CDAEHM Cn1c(Cl)ncc1CN1CCCCC[C@@H]1C(=O)[O-] ZINC000902032984 618532323 /nfs/dbraw/zinc/53/23/23/618532323.db2.gz CUVCCOSKRGEZPP-SNVBAGLBSA-N -1 3 271.748 1.903 10 0 CDAEHM CCOC(=O)c1nc([C@@H](C)NCc2cccc(F)c2)n[n-]1 ZINC000895237131 619480496 /nfs/dbraw/zinc/48/04/96/619480496.db2.gz QTNJALGYTHONLW-SECBINFHSA-N -1 3 292.314 1.971 10 0 CDAEHM CCOC(=O)c1n[n-]c([C@@H](C)NCc2cccc(F)c2)n1 ZINC000895237131 619480497 /nfs/dbraw/zinc/48/04/97/619480497.db2.gz QTNJALGYTHONLW-SECBINFHSA-N -1 3 292.314 1.971 10 0 CDAEHM CCOC(=O)c1nnc([C@@H](C)NCc2cccc(F)c2)[n-]1 ZINC000895237131 619480505 /nfs/dbraw/zinc/48/05/05/619480505.db2.gz QTNJALGYTHONLW-SECBINFHSA-N -1 3 292.314 1.971 10 0 CDAEHM COC(=O)N[C@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000895847716 619871872 /nfs/dbraw/zinc/87/18/72/619871872.db2.gz FJEOOGSHDALSAM-QMMMGPOBSA-N -1 3 286.278 1.601 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC2(C)CCC2)nn1 ZINC000866928717 620489755 /nfs/dbraw/zinc/48/97/55/620489755.db2.gz OCWHHRRSAWEZAU-UHFFFAOYSA-N -1 3 255.343 1.254 10 0 CDAEHM O=C(c1ccsc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898205322 621361410 /nfs/dbraw/zinc/36/14/10/621361410.db2.gz MSDHZWUUCJMMEE-QMMMGPOBSA-N -1 3 263.322 1.807 10 0 CDAEHM O=C(Cc1ccc(F)cc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898207480 621363484 /nfs/dbraw/zinc/36/34/84/621363484.db2.gz LFLICLRVEDYNJK-NSHDSACASA-N -1 3 289.310 1.813 10 0 CDAEHM CO[C@H](C)CCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217731 621370828 /nfs/dbraw/zinc/37/08/28/621370828.db2.gz QKZWPCIXFUBUDR-ZJUUUORDSA-N -1 3 267.329 1.246 10 0 CDAEHM O=C(c1cnn(C2CC2)c1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898226652 621414625 /nfs/dbraw/zinc/41/46/25/621414625.db2.gz 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C[C@H](CNC(=O)NCCN1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000655866976 414271863 /nfs/dbraw/zinc/27/18/63/414271863.db2.gz FUYGITHCPAXCOC-UTUOFQBUSA-N -1 3 285.388 1.269 10 0 CDAEHM O=C1NCC[C@H]1NCc1cc([O-])ccc1Br ZINC000657525090 414417378 /nfs/dbraw/zinc/41/73/78/414417378.db2.gz PVTJSFMHLXAJEI-SNVBAGLBSA-N -1 3 285.141 1.133 10 0 CDAEHM O=C([O-])c1cc(Cl)nc(OCCN2CCCC2)c1 ZINC000040240100 174212901 /nfs/dbraw/zinc/21/29/01/174212901.db2.gz XFLUKKIMZJCUOJ-UHFFFAOYSA-N -1 3 270.716 1.908 10 0 CDAEHM CC[C@](C)([N-]S(=O)(=O)c1cccs1)C(N)=S ZINC000040364672 174247878 /nfs/dbraw/zinc/24/78/78/174247878.db2.gz LUSXFFLYZRUMQQ-VIFPVBQESA-N -1 3 278.424 1.481 10 0 CDAEHM Cc1cc(C(=O)[N-]c2cc(F)ccc2S(N)(=O)=O)no1 ZINC000040381713 174250996 /nfs/dbraw/zinc/25/09/96/174250996.db2.gz ZDYGSOJWYJMFTO-UHFFFAOYSA-N -1 3 299.283 1.022 10 0 CDAEHM N[C@H](c1nn[n-]n1)c1ccc(OC(F)(F)F)cc1 ZINC000040397167 174253365 /nfs/dbraw/zinc/25/33/65/174253365.db2.gz USOXYUZDPLSGLX-ZETCQYMHSA-N -1 3 259.191 1.146 10 0 CDAEHM 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NGIZUADTVXVTKO-UHFFFAOYSA-N -1 3 265.313 1.212 10 0 CDAEHM CC1(C)Cc2ccc(C(=O)N3CCOCC3)c([O-])c2O1 ZINC000408410390 281372749 /nfs/dbraw/zinc/37/27/49/281372749.db2.gz PLVQCRVJWHPOBT-UHFFFAOYSA-N -1 3 277.320 1.578 10 0 CDAEHM CN(CCN1CCCC1)C(=O)N=c1ncn(C(C)(C)C)[n-]1 ZINC000544319155 289632509 /nfs/dbraw/zinc/63/25/09/289632509.db2.gz XJKAWCDLISAVDT-UHFFFAOYSA-N -1 3 294.403 1.015 10 0 CDAEHM COc1cc(=NC(=O)N2CC[C@H](C)[C@@H]2C)[n-]n1C ZINC000547515280 289783226 /nfs/dbraw/zinc/78/32/26/289783226.db2.gz PYYZSFFYKQZXQC-IUCAKERBSA-N -1 3 252.318 1.113 10 0 CDAEHM COc1cc(=NC(=O)NCCC[C@@H]2CCCCO2)[n-]n1C ZINC000547838763 289814874 /nfs/dbraw/zinc/81/48/74/289814874.db2.gz XORDAMBWUSBSAQ-NSHDSACASA-N -1 3 296.371 1.321 10 0 CDAEHM COc1cc(=NC(=O)[C@H]2C[C@]2(C)C(C)C)[n-]n1C ZINC000548500182 289896502 /nfs/dbraw/zinc/89/65/02/289896502.db2.gz ZPNKSIXQNNIWGB-NOZJJQNGSA-N -1 3 251.330 1.471 10 0 CDAEHM COc1cc(=NC(=O)N(C)Cc2ccc(C)cc2)[n-]n1C ZINC000548501044 289896892 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ZINC000161703412 363886022 /nfs/dbraw/zinc/88/60/22/363886022.db2.gz QKMGVOAIDUAZGJ-UHFFFAOYSA-N -1 3 265.309 1.006 10 0 CDAEHM COC[C@@](C)(CCO)NCc1cccc([O-])c1Cl ZINC000293734023 370771397 /nfs/dbraw/zinc/77/13/97/370771397.db2.gz ZNYKHPXOWHDICV-CYBMUJFWSA-N -1 3 273.760 1.923 10 0 CDAEHM Cc1[n-][nH]c(=NC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1-c1ccc(C)cc1 ZINC000630021931 364436688 /nfs/dbraw/zinc/43/66/88/364436688.db2.gz ZRYRJQZTIYDGHU-NHAGDIPZSA-N -1 3 297.358 1.946 10 0 CDAEHM Cc1c2occ([O-])c2ccc1OC[C@@H](O)COC(C)C ZINC000634560437 364656795 /nfs/dbraw/zinc/65/67/95/364656795.db2.gz IWIOWSHTPFICMG-NSHDSACASA-N -1 3 280.320 1.735 10 0 CDAEHM CCOC(=O)CC[C@H](C)NC(=O)c1cc(OC)ccc1[O-] ZINC000270626406 364681561 /nfs/dbraw/zinc/68/15/61/364681561.db2.gz PPGOROIKVDTEQH-JTQLQIEISA-N -1 3 295.335 1.862 10 0 CDAEHM O=C(Cc1ccccc1O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352982460 364694317 /nfs/dbraw/zinc/69/43/17/364694317.db2.gz CFEXIUHQWDEZCO-CYBMUJFWSA-N -1 3 287.319 1.570 10 0 CDAEHM CC[C@H](OC)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352986956 364697426 /nfs/dbraw/zinc/69/74/26/364697426.db2.gz JSPFPMMUTDRERG-VHSXEESVSA-N -1 3 253.302 1.047 10 0 CDAEHM O=C(Cc1ccoc1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352994774 364700424 /nfs/dbraw/zinc/70/04/24/364700424.db2.gz UXUNAYJJNXQOHO-LLVKDONJSA-N -1 3 261.281 1.457 10 0 CDAEHM CCOC(=O)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000471797735 364986625 /nfs/dbraw/zinc/98/66/25/364986625.db2.gz KEMBBOPGCUOMJI-UHFFFAOYSA-N -1 3 273.288 1.838 10 0 CDAEHM C[C@@H](CC(N)=O)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436964259 364982724 /nfs/dbraw/zinc/98/27/24/364982724.db2.gz HVURYMNTKGKDBW-VIFPVBQESA-N -1 3 276.336 1.265 10 0 CDAEHM CO[C@H](C)CCNC(=O)NCc1ncccc1[O-] ZINC000471837385 365001205 /nfs/dbraw/zinc/00/12/05/365001205.db2.gz URRJVRKXIHVCFB-SECBINFHSA-N -1 3 253.302 1.011 10 0 CDAEHM Cc1nc([N-]C(=O)c2ccoc2C(F)(F)F)nn1C ZINC000293767882 370788758 /nfs/dbraw/zinc/78/87/58/370788758.db2.gz UYQKYSNONUCVJK-UHFFFAOYSA-N -1 3 274.202 1.988 10 0 CDAEHM CN([O-])S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000307088408 365218115 /nfs/dbraw/zinc/21/81/15/365218115.db2.gz MUOIFWBQXPZSGQ-UHFFFAOYSA-N -1 3 284.106 1.598 10 0 CDAEHM CCn1nnc(C)c1CNC(=O)c1ccc(OC)cc1[O-] ZINC000627875235 365448413 /nfs/dbraw/zinc/44/84/13/365448413.db2.gz VPGZPDASEYINDK-UHFFFAOYSA-N -1 3 290.323 1.251 10 0 CDAEHM CCOC1(C)CN(C(=O)c2cccc(OC)c2[O-])C1 ZINC000400005601 366921587 /nfs/dbraw/zinc/92/15/87/366921587.db2.gz YSHSEDFHONCEJT-UHFFFAOYSA-N -1 3 265.309 1.652 10 0 CDAEHM CC(C)(C)CC(C)(C)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000414059533 241048913 /nfs/dbraw/zinc/04/89/13/241048913.db2.gz WMAXRUORVMBLFI-UHFFFAOYSA-N -1 3 270.373 1.430 10 0 CDAEHM COC(=O)[C@@H](CC1CC1)NCc1nc(C)ccc1[O-] ZINC000414489756 241230210 /nfs/dbraw/zinc/23/02/10/241230210.db2.gz NKNHZPBFZQMOBP-LLVKDONJSA-N -1 3 264.325 1.527 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1ccnc2ccncc21 ZINC000357459870 367012033 /nfs/dbraw/zinc/01/20/33/367012033.db2.gz ASXKVTGGVNMROO-UHFFFAOYSA-N -1 3 280.287 1.660 10 0 CDAEHM CN(CCc1cnccn1)C(=O)c1cccc([O-])c1 ZINC000357523978 367045746 /nfs/dbraw/zinc/04/57/46/367045746.db2.gz SRGYQRMMVIJKRH-UHFFFAOYSA-N -1 3 257.293 1.497 10 0 CDAEHM CSc1c(C(=O)[N-]c2nncs2)cnn1C ZINC000357789274 367209958 /nfs/dbraw/zinc/20/99/58/367209958.db2.gz BCFJCHUIQBIPDK-UHFFFAOYSA-N -1 3 255.328 1.246 10 0 CDAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C1CCC1 ZINC000416506178 242027700 /nfs/dbraw/zinc/02/77/00/242027700.db2.gz HJEXEZSSAKHZAD-UHFFFAOYSA-N -1 3 287.337 1.514 10 0 CDAEHM COC(=O)CCCC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358428390 367676403 /nfs/dbraw/zinc/67/64/03/367676403.db2.gz PCJONHOMUKRUAK-UHFFFAOYSA-N -1 3 275.326 1.210 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H](CO)c2ccccc2)o1 ZINC000358609717 367815006 /nfs/dbraw/zinc/81/50/06/367815006.db2.gz KJKLFCXQNOOKRM-CYBMUJFWSA-N -1 3 295.360 1.642 10 0 CDAEHM Cn1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccsc2)n1 ZINC000528544286 367890069 /nfs/dbraw/zinc/89/00/69/367890069.db2.gz CNCTUIQPYIDONY-VHSXEESVSA-N -1 3 283.378 1.316 10 0 CDAEHM 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ZINC000043327749 175009667 /nfs/dbraw/zinc/00/96/67/175009667.db2.gz NBPZPCPJQQCEFU-UHFFFAOYSA-N -1 3 273.292 1.655 10 0 CDAEHM COc1ccc([O-])c(C(=O)N(C)C[C@H](C)C(N)=S)c1 ZINC000043327853 175009775 /nfs/dbraw/zinc/00/97/75/175009775.db2.gz LKNVHHXCPFTVBH-QMMMGPOBSA-N -1 3 282.365 1.395 10 0 CDAEHM CN1CCC[C@@H](CNC(=O)NC2(C(=O)[O-])CCCC2)C1 ZINC000044560121 175204203 /nfs/dbraw/zinc/20/42/03/175204203.db2.gz VRQCGQUVJPQRGF-NSHDSACASA-N -1 3 283.372 1.025 10 0 CDAEHM Cc1nc(C(=O)NC[C@@H]2CCCCN2C)ccc1C(=O)[O-] ZINC000044566054 175208186 /nfs/dbraw/zinc/20/81/86/175208186.db2.gz MLVMJTFLDIMLTO-NSHDSACASA-N -1 3 291.351 1.302 10 0 CDAEHM C[C@](N)(C(=O)N1CCc2sccc2[C@@H]1C(=O)[O-])C1CC1 ZINC000044592639 175213308 /nfs/dbraw/zinc/21/33/08/175213308.db2.gz PYWCTWBUITZTQG-BXUZGUMPSA-N -1 3 294.376 1.386 10 0 CDAEHM O=C([O-])[C@H]1c2ccsc2CCN1CCn1cccn1 ZINC000044592453 175213393 /nfs/dbraw/zinc/21/33/93/175213393.db2.gz NJUYVNLSWWVSGB-GFCCVEGCSA-N -1 3 277.349 1.629 10 0 CDAEHM 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287.337 1.251 10 0 CDAEHM Cc1ncc(C(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)c(=O)[n-]1 ZINC000077460110 177271680 /nfs/dbraw/zinc/27/16/80/177271680.db2.gz NOTYDTSBTDCGHS-NHCYSSNCSA-N -1 3 261.325 1.387 10 0 CDAEHM CCCCN(C)S(=O)(=O)[N-][C@@H](C(=O)OC)C(C)(C)C ZINC000078805892 177390555 /nfs/dbraw/zinc/39/05/55/177390555.db2.gz BVOOEISQQYBBDL-JTQLQIEISA-N -1 3 294.417 1.140 10 0 CDAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@H]1C[C@]12CCOC2 ZINC000525967580 262358799 /nfs/dbraw/zinc/35/87/99/262358799.db2.gz SAAGCWKWMDQJRM-PUYPPJJSSA-N -1 3 277.324 1.048 10 0 CDAEHM COc1ccccc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000525968185 262365789 /nfs/dbraw/zinc/36/57/89/262365789.db2.gz AEPYWBJCJPDJFH-ZDUSSCGKSA-N -1 3 287.319 1.944 10 0 CDAEHM O=S(=O)([N-][C@H](C1CC1)C1CCOCC1)c1ccccn1 ZINC000651820819 423773740 /nfs/dbraw/zinc/77/37/40/423773740.db2.gz SBBKTPBGSQDWFB-CQSZACIVSA-N -1 3 296.392 1.565 10 0 CDAEHM COc1cc(=NC(=O)N(C)Cc2occc2C)[n-]n1C ZINC000652952881 423940768 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C[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)C1CCC(F)(F)CC1 ZINC000655663253 424329007 /nfs/dbraw/zinc/32/90/07/424329007.db2.gz BKBJZWAXSYZHHT-MRVPVSSYSA-N -1 3 293.339 1.902 10 0 CDAEHM C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000653306827 424542894 /nfs/dbraw/zinc/54/28/94/424542894.db2.gz XSVMCVHSNCIIIK-RQJABVFESA-N -1 3 296.411 1.866 10 0 CDAEHM C[C@@H]1CC[C@](CO)(N(C)Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC000188004540 270271090 /nfs/dbraw/zinc/27/10/90/270271090.db2.gz XTHOIFCNXYYDAY-ABAIWWIYSA-N -1 3 290.367 1.006 10 0 CDAEHM CCO[C@@]1(C)C[C@H]1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000529854273 271053467 /nfs/dbraw/zinc/05/34/67/271053467.db2.gz HRTNNCJQPIUQJK-MFKMUULPSA-N -1 3 278.287 1.394 10 0 CDAEHM CCO[C@@]1(C)C[C@H]1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000529854273 271053468 /nfs/dbraw/zinc/05/34/68/271053468.db2.gz HRTNNCJQPIUQJK-MFKMUULPSA-N -1 3 278.287 1.394 10 0 CDAEHM CCO[C@@]1(C)C[C@H]1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000529854273 271053470 /nfs/dbraw/zinc/05/34/70/271053470.db2.gz 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ZINC000547839149 289815571 /nfs/dbraw/zinc/81/55/71/289815571.db2.gz KFDKZFYQIKSNHV-GHMZBOCLSA-N -1 3 280.372 1.798 10 0 CDAEHM COc1cc(=NC(=O)[C@@H]2OCCc3ccccc32)[n-]n1C ZINC000547861799 289817110 /nfs/dbraw/zinc/81/71/10/289817110.db2.gz BZJAKQHRHCZGON-CQSZACIVSA-N -1 3 287.319 1.103 10 0 CDAEHM COc1cc(=NC(=O)N2[C@H](C)CC[C@H]2C)[n-]n1C ZINC000548494724 289895383 /nfs/dbraw/zinc/89/53/83/289895383.db2.gz VGOFQJQVGMLQGG-RKDXNWHRSA-N -1 3 252.318 1.255 10 0 CDAEHM Cc1c(C(=O)[N-]c2ncn(C(C)(C)C)n2)nnn1C(C)C ZINC000551861123 290019517 /nfs/dbraw/zinc/01/95/17/290019517.db2.gz YNTWHTBBNBWWHZ-UHFFFAOYSA-N -1 3 291.359 1.766 10 0 CDAEHM CN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)[O-])C[C@@H]1CCCN12 ZINC000169676102 290321091 /nfs/dbraw/zinc/32/10/91/290321091.db2.gz YKWWQQHCZVTERC-PKWAYOAASA-N -1 3 286.331 1.427 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CCC2(F)CCC2)c1 ZINC000561563463 293093067 /nfs/dbraw/zinc/09/30/67/293093067.db2.gz KQHGQXLOHVXLOH-UHFFFAOYSA-N -1 3 275.349 1.464 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-][C@H]1[C@@H]2CCC[C@@H]21 ZINC000562721055 293183631 /nfs/dbraw/zinc/18/36/31/293183631.db2.gz JUDYUGFOLJYXSV-IWIIMEHWSA-N -1 3 282.365 1.557 10 0 CDAEHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cscn1 ZINC000575865171 317028568 /nfs/dbraw/zinc/02/85/68/317028568.db2.gz PZGAHLQESCZRFM-BDAKNGLRSA-N -1 3 278.399 1.219 10 0 CDAEHM CCN1CCC(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])CC1 ZINC000387214547 323762772 /nfs/dbraw/zinc/76/27/72/323762772.db2.gz KGBMGONHKQQJBB-LBPRGKRZSA-N -1 3 299.415 1.517 10 0 CDAEHM COC(C)(C)CS(=O)(=O)[N-][C@@H]1CC(C)(C)OC1(C)C ZINC000579052333 324090754 /nfs/dbraw/zinc/09/07/54/324090754.db2.gz FCFGKZNOINPTRD-SNVBAGLBSA-N -1 3 293.429 1.677 10 0 CDAEHM CCN=c1[n-]c(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)cs1 ZINC000583476920 325181890 /nfs/dbraw/zinc/18/18/90/325181890.db2.gz OCXLSFWCJMWCGW-MBTKJCJQSA-N -1 3 251.355 1.525 10 0 CDAEHM CC(C)(C)n1nnc(C(=O)[N-]c2ccsc2)n1 ZINC000668859529 482407561 /nfs/dbraw/zinc/40/75/61/482407561.db2.gz ZBDVIAPORBTDMR-UHFFFAOYSA-N 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CDAEHM CC1(C)CCC[C@]1(O)C[N-]S(=O)(=O)c1cscn1 ZINC000573601471 371595077 /nfs/dbraw/zinc/59/50/77/371595077.db2.gz IURIIPJDANDGIL-NSHDSACASA-N -1 3 290.410 1.363 10 0 CDAEHM CC(C)[C@@H](C)CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000172409839 372371215 /nfs/dbraw/zinc/37/12/15/372371215.db2.gz JTKMEZNNQPTEJU-VIFPVBQESA-N -1 3 274.320 1.592 10 0 CDAEHM COC(=O)c1coc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000578506347 372485325 /nfs/dbraw/zinc/48/53/25/372485325.db2.gz DPDZSQDLLDWCLG-CABZTGNLSA-N -1 3 281.308 1.609 10 0 CDAEHM Cc1cc(C[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)on1 ZINC000333104053 205031523 /nfs/dbraw/zinc/03/15/23/205031523.db2.gz CTBQINMJADHEBC-JFGNBEQYSA-N -1 3 270.354 1.591 10 0 CDAEHM COc1nnc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)[n-]1 ZINC000182998296 373030235 /nfs/dbraw/zinc/03/02/35/373030235.db2.gz YHGQTQSIJXTOIA-JVHMLUBASA-N -1 3 278.312 1.147 10 0 CDAEHM COc1nc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)n[n-]1 ZINC000182998296 373030245 /nfs/dbraw/zinc/03/02/45/373030245.db2.gz 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/nfs/dbraw/zinc/33/79/40/374337940.db2.gz MSPWIXKAWPGAGW-UHFFFAOYSA-N -1 3 282.727 1.574 10 0 CDAEHM Cc1nc2cc(Cn3cc(Cl)c(=O)[n-]c3=O)ccc2[nH]1 ZINC000342680697 374389609 /nfs/dbraw/zinc/38/96/09/374389609.db2.gz UVKMGBSUIKFOQW-UHFFFAOYSA-N -1 3 290.710 1.835 10 0 CDAEHM Cc1nc2ccc(Cn3cc(Cl)c(=O)[n-]c3=O)cc2[nH]1 ZINC000342680697 374389612 /nfs/dbraw/zinc/38/96/12/374389612.db2.gz UVKMGBSUIKFOQW-UHFFFAOYSA-N -1 3 290.710 1.835 10 0 CDAEHM COc1nnc(NC(=O)c2c(F)cccc2F)[n-]1 ZINC000126825214 375027092 /nfs/dbraw/zinc/02/70/92/375027092.db2.gz DURULWZPEGZORP-UHFFFAOYSA-N -1 3 254.196 1.344 10 0 CDAEHM COc1n[n-]c(NC(=O)c2c(F)cccc2F)n1 ZINC000126825214 375027096 /nfs/dbraw/zinc/02/70/96/375027096.db2.gz DURULWZPEGZORP-UHFFFAOYSA-N -1 3 254.196 1.344 10 0 CDAEHM COc1nc(NC(=O)c2c(F)cccc2F)n[n-]1 ZINC000126825214 375027101 /nfs/dbraw/zinc/02/71/01/375027101.db2.gz DURULWZPEGZORP-UHFFFAOYSA-N -1 3 254.196 1.344 10 0 CDAEHM Cc1cccc([O-])c1C(=O)NC[C@H]1CCCCN1CCO ZINC000627574532 375396805 /nfs/dbraw/zinc/39/68/05/375396805.db2.gz ISSQCJMYAVCBLG-CYBMUJFWSA-N -1 3 292.379 1.277 10 0 CDAEHM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cc(=O)[n-]cn1 ZINC000627605896 375425003 /nfs/dbraw/zinc/42/50/03/375425003.db2.gz UBWAUXOGAVJMHT-JGVFFNPUSA-N -1 3 289.257 1.985 10 0 CDAEHM O[C@@H](CN=c1nc(C2CC2)[n-]s1)CN1CCCCC1 ZINC000426612940 247045213 /nfs/dbraw/zinc/04/52/13/247045213.db2.gz ZPDMACMKQJBCDU-NSHDSACASA-N -1 3 282.413 1.096 10 0 CDAEHM COCc1nc(=NCCN2CCCC[C@@H]2C)s[n-]1 ZINC000426569087 247040224 /nfs/dbraw/zinc/04/02/24/247040224.db2.gz WTLCPPXLNCNCOG-JTQLQIEISA-N -1 3 270.402 1.393 10 0 CDAEHM COCc1nsc(=NCCN2CCCC[C@@H]2C)[n-]1 ZINC000426569087 247040227 /nfs/dbraw/zinc/04/02/27/247040227.db2.gz WTLCPPXLNCNCOG-JTQLQIEISA-N -1 3 270.402 1.393 10 0 CDAEHM CC(C)n1cnc([N-]C(=O)c2cn(C3CC3)nn2)n1 ZINC000627983184 375934765 /nfs/dbraw/zinc/93/47/65/375934765.db2.gz NHBXCSISJHLKLA-UHFFFAOYSA-N -1 3 261.289 1.038 10 0 CDAEHM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccs1 ZINC000245541460 376080751 /nfs/dbraw/zinc/08/07/51/376080751.db2.gz KSRXOYKJBZEICJ-YUSALJHKSA-N -1 3 299.417 1.984 10 0 CDAEHM CCOc1ncccc1NC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000431966213 247854831 /nfs/dbraw/zinc/85/48/31/247854831.db2.gz TYCNFXFZEIOJJS-UHFFFAOYSA-N -1 3 289.291 1.847 10 0 CDAEHM CN(CCCCO)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331224164 376670807 /nfs/dbraw/zinc/67/08/07/376670807.db2.gz CYTKUQVDKOEXSP-UHFFFAOYSA-N -1 3 293.363 1.950 10 0 CDAEHM COC1(CS(=O)(=O)[N-]Cc2cscn2)CCC1 ZINC000631848817 376716563 /nfs/dbraw/zinc/71/65/63/376716563.db2.gz MTOOACVOUGMSNJ-UHFFFAOYSA-N -1 3 276.383 1.132 10 0 CDAEHM O=C([O-])[C@H]1CNCCN1c1nc2ccccc2s1 ZINC000088673433 304198904 /nfs/dbraw/zinc/19/89/04/304198904.db2.gz BDPRALZZBAAVJJ-SECBINFHSA-N -1 3 263.322 1.159 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@@H](CCO)CSC)sc1C ZINC000434095516 248076406 /nfs/dbraw/zinc/07/64/06/248076406.db2.gz JDCPBXBPDSSFRS-QMMMGPOBSA-N -1 3 290.410 1.186 10 0 CDAEHM Cc1cccc(C(=O)N(C)C[C@@H]2CCS(=O)(=O)C2)c1[O-] ZINC000331248057 376801077 /nfs/dbraw/zinc/80/10/77/376801077.db2.gz WNIFARWJQUMMBE-NSHDSACASA-N -1 3 297.376 1.207 10 0 CDAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CCCF ZINC000632117622 377027322 /nfs/dbraw/zinc/02/73/22/377027322.db2.gz SGRVWFZKCGGUHL-UHFFFAOYSA-N -1 3 289.254 1.077 10 0 CDAEHM Cc1nocc1C[N-]S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000632398020 377395050 /nfs/dbraw/zinc/39/50/50/377395050.db2.gz WSIJNSMCMPHSQB-SNVBAGLBSA-N -1 3 294.323 1.838 10 0 CDAEHM Cc1nocc1S(=O)(=O)[N-]CC1CCC(F)CC1 ZINC000632503938 377540213 /nfs/dbraw/zinc/54/02/13/377540213.db2.gz RNKSPWRHPGWNQC-UHFFFAOYSA-N -1 3 276.333 1.790 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2cc3n(n2)CCCO3)o1 ZINC000632525657 377567440 /nfs/dbraw/zinc/56/74/40/377567440.db2.gz YHEXCWVQYRRPLF-UHFFFAOYSA-N -1 3 297.336 1.046 10 0 CDAEHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1conc1C ZINC000632545550 377586971 /nfs/dbraw/zinc/58/69/71/377586971.db2.gz FAFHWBQSRWPMGN-LLVKDONJSA-N -1 3 288.369 1.467 10 0 CDAEHM CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)CC(C)C)C(=O)OC ZINC000571996436 377646203 /nfs/dbraw/zinc/64/62/03/377646203.db2.gz AHFJPPFFIAWGDK-GHMZBOCLSA-N -1 3 279.402 1.540 10 0 CDAEHM O=S(=O)([N-]C[C@H]1CCc2cccnc21)c1ccco1 ZINC000632730487 377803441 /nfs/dbraw/zinc/80/34/41/377803441.db2.gz LDQKUSJMDMMZHY-LLVKDONJSA-N -1 3 278.333 1.683 10 0 CDAEHM COc1cc(=NC(=O)N2CCCC[C@@H](C)C2)[n-]n1C ZINC000548167035 377814862 /nfs/dbraw/zinc/81/48/62/377814862.db2.gz GGAJXQZRLCLCHN-SNVBAGLBSA-N -1 3 266.345 1.505 10 0 CDAEHM CCCCCOC(=S)[N-]C[C@@H]1CCS(=O)(=O)C1 ZINC000040166915 377792878 /nfs/dbraw/zinc/79/28/78/377792878.db2.gz IHRFUOAZIDNVLC-JTQLQIEISA-N -1 3 279.427 1.502 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc3[n-]nnc32)[C@H](C)[C@@H](C)O1 ZINC000525873429 378474396 /nfs/dbraw/zinc/47/43/96/378474396.db2.gz HFRXTVXMHKVLKY-OPRDCNLKSA-N -1 3 274.324 1.596 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc3nn[n-]c32)[C@H](C)[C@@H](C)O1 ZINC000525873429 378474398 /nfs/dbraw/zinc/47/43/98/378474398.db2.gz HFRXTVXMHKVLKY-OPRDCNLKSA-N -1 3 274.324 1.596 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc3n[n-]nc32)[C@H](C)[C@@H](C)O1 ZINC000525873429 378474401 /nfs/dbraw/zinc/47/44/01/378474401.db2.gz HFRXTVXMHKVLKY-OPRDCNLKSA-N -1 3 274.324 1.596 10 0 CDAEHM CCc1cccc(CC(=O)NCc2cc(=O)[n-]c(=O)[nH]2)c1 ZINC000633521717 378512762 /nfs/dbraw/zinc/51/27/62/378512762.db2.gz UZKPBNOMXQKHOS-UHFFFAOYSA-N -1 3 287.319 1.309 10 0 CDAEHM O=C(NCC[C@@H](O)C(F)F)c1cc([O-])ccc1Cl ZINC000634003688 378936919 /nfs/dbraw/zinc/93/69/19/378936919.db2.gz QVBXBGZYBBSGRO-SECBINFHSA-N -1 3 279.670 1.792 10 0 CDAEHM C[C@@H]1C[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)[C@@H](C)O1 ZINC000634031957 378972187 /nfs/dbraw/zinc/97/21/87/378972187.db2.gz MTRUUPVOGKXAEK-KBVBSXBZSA-N -1 3 267.300 1.756 10 0 CDAEHM Cc1ccc(-c2noc(=NC[C@H](C)N(C)C)[n-]2)cc1 ZINC000443429425 250029617 /nfs/dbraw/zinc/02/96/17/250029617.db2.gz QTAXQTYYRZUTJS-NSHDSACASA-N -1 3 260.341 1.829 10 0 CDAEHM COC(=O)c1cnc(SCc2ccn(C)n2)[n-]1 ZINC000278687826 194102864 /nfs/dbraw/zinc/10/28/64/194102864.db2.gz PMWCTCBWTREPET-UHFFFAOYSA-N -1 3 252.299 1.222 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCO[C@@H](C(F)F)CC1 ZINC000634164780 379110821 /nfs/dbraw/zinc/11/08/21/379110821.db2.gz MFXVXOFGXLVTKM-LLVKDONJSA-N -1 3 287.262 1.594 10 0 CDAEHM CC(C)(C)n1cnc([N-]C(=O)c2cscn2)n1 ZINC000344056402 379113745 /nfs/dbraw/zinc/11/37/45/379113745.db2.gz ZDAOFTOJDMUBLD-UHFFFAOYSA-N -1 3 251.315 1.742 10 0 CDAEHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000289436873 197346023 /nfs/dbraw/zinc/34/60/23/197346023.db2.gz DJJAJWNKIGRNAF-RKDXNWHRSA-N -1 3 293.335 1.975 10 0 CDAEHM CC(C)C[C@@H]1CCN([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC000662207502 412934383 /nfs/dbraw/zinc/93/43/83/412934383.db2.gz YLNGWTNKHJRGBK-RYUDHWBXSA-N -1 3 268.357 1.040 10 0 CDAEHM CCOC(=O)c1cc(C(=O)[N-]c2n[nH]c(CC)c2C)on1 ZINC000449852327 251047839 /nfs/dbraw/zinc/04/78/39/251047839.db2.gz SQVVHGGSOPCXDW-UHFFFAOYSA-N -1 3 292.295 1.698 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCC(C)(C)CO)o1 ZINC000451677042 251802282 /nfs/dbraw/zinc/80/22/82/251802282.db2.gz HGMFTILFYJFSFL-UHFFFAOYSA-N -1 3 261.343 1.275 10 0 CDAEHM CCc1n[n-]c(S(=O)(=O)Cc2cc(C)ccc2F)n1 ZINC000453022263 252253243 /nfs/dbraw/zinc/25/32/43/252253243.db2.gz HSHHNKNUFYQFLO-UHFFFAOYSA-N -1 3 283.328 1.789 10 0 CDAEHM CCc1nnc(S(=O)(=O)Cc2cc(C)ccc2F)[n-]1 ZINC000453022263 252253246 /nfs/dbraw/zinc/25/32/46/252253246.db2.gz HSHHNKNUFYQFLO-UHFFFAOYSA-N -1 3 283.328 1.789 10 0 CDAEHM CC[C@@H](COC)NC(=O)NCc1ncccc1[O-] ZINC000471932856 252835381 /nfs/dbraw/zinc/83/53/81/252835381.db2.gz IERFTILLVQTPQJ-VIFPVBQESA-N -1 3 253.302 1.011 10 0 CDAEHM O=c1nc([C@@H]2CCCN(Cc3ccc(F)c(F)c3)C2)[nH][n-]1 ZINC000289402701 197330099 /nfs/dbraw/zinc/33/00/99/197330099.db2.gz LEBAWSUVPBAWMQ-SNVBAGLBSA-N -1 3 294.305 1.756 10 0 CDAEHM C[C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)C1 ZINC000568047144 390418036 /nfs/dbraw/zinc/41/80/36/390418036.db2.gz GEKBWZHLOAKLNX-MXWKQRLJSA-N -1 3 277.372 1.327 10 0 CDAEHM O=C(N=c1[nH][n-]cc1Br)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403695435 390952805 /nfs/dbraw/zinc/95/28/05/390952805.db2.gz AXTAEAOFZMMMOK-RNJXMRFFSA-N -1 3 284.157 1.969 10 0 CDAEHM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2sc(C)nc2C)C1 ZINC000191043451 533431687 /nfs/dbraw/zinc/43/16/87/533431687.db2.gz OJSSNYJFIFLSGX-NXEZZACHSA-N -1 3 290.410 1.606 10 0 CDAEHM O=C(NCc1ccc[nH]1)c1cc(=O)c2ccccc2[n-]1 ZINC000345615493 391275374 /nfs/dbraw/zinc/27/53/74/391275374.db2.gz VDAIQUKXNREYJP-UHFFFAOYSA-N -1 3 267.288 1.786 10 0 CDAEHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCOC[C@H]1C ZINC000277694551 391374138 /nfs/dbraw/zinc/37/41/38/391374138.db2.gz HOUNPSVHUJNDHE-ZYHUDNBSSA-N -1 3 287.356 1.837 10 0 CDAEHM COc1nnc(NC(=O)c2ncccc2Br)[n-]1 ZINC000194907527 391395962 /nfs/dbraw/zinc/39/59/62/391395962.db2.gz FTURIQIHAZOMKV-UHFFFAOYSA-N -1 3 298.100 1.223 10 0 CDAEHM COc1nc(NC(=O)c2ncccc2Br)n[n-]1 ZINC000194907527 391395964 /nfs/dbraw/zinc/39/59/64/391395964.db2.gz FTURIQIHAZOMKV-UHFFFAOYSA-N -1 3 298.100 1.223 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ncccc2Br)n1 ZINC000194907527 391395966 /nfs/dbraw/zinc/39/59/66/391395966.db2.gz FTURIQIHAZOMKV-UHFFFAOYSA-N -1 3 298.100 1.223 10 0 CDAEHM [O-]c1cccc(CNC[C@@H](O)[C@@H]2CCCO2)c1Cl ZINC000527754089 391503264 /nfs/dbraw/zinc/50/32/64/391503264.db2.gz DEKWJJSYLKVLTB-NEPJUHHUSA-N -1 3 271.744 1.675 10 0 CDAEHM Cc1ccc2[n-]cc(C(=O)N[C@@H]3CC[C@H]3O)c(=O)c2c1 ZINC000425043551 391552109 /nfs/dbraw/zinc/55/21/09/391552109.db2.gz FUAIUQXWJAOTCE-CHWSQXEVSA-N -1 3 272.304 1.090 10 0 CDAEHM COc1ccc([O-])c(C(=O)N(C)[C@H]2C[C@@H](OC)C2)c1 ZINC000286027454 391560959 /nfs/dbraw/zinc/56/09/59/391560959.db2.gz OVHRKVGZBFZPJW-JGZJWPJOSA-N -1 3 265.309 1.650 10 0 CDAEHM CCc1ccc(CN2CCC(c3n[nH]c(=O)[n-]3)CC2)nc1 ZINC000411662199 391498203 /nfs/dbraw/zinc/49/82/03/391498203.db2.gz WTJVWOLJKPVIGW-UHFFFAOYSA-N -1 3 287.367 1.847 10 0 CDAEHM O=c1cc(CN2CCO[C@@H](C3CC3)C2)nc(C2CC2)[n-]1 ZINC000519630361 391673222 /nfs/dbraw/zinc/67/32/22/391673222.db2.gz MTTPQGJDMDCLNJ-CYBMUJFWSA-N -1 3 275.352 1.670 10 0 CDAEHM COc1cc(C)ccc1CN[C@]1(C(=O)[O-])CCOC1 ZINC000417572719 391676292 /nfs/dbraw/zinc/67/62/92/391676292.db2.gz WCSSQUHMTXDJJT-CQSZACIVSA-N -1 3 265.309 1.337 10 0 CDAEHM CC[C@@H](C)N(C)CCN=c1[n-]c(C2CCOCC2)no1 ZINC000413116618 391687284 /nfs/dbraw/zinc/68/72/84/391687284.db2.gz PVQRJRPLIMNQKB-LLVKDONJSA-N -1 3 282.388 1.528 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@]2(C)CC=CCC2)c1 ZINC000334920157 391978398 /nfs/dbraw/zinc/97/83/98/391978398.db2.gz UCEIQIBVTUSYOY-GFCCVEGCSA-N -1 3 269.370 1.680 10 0 CDAEHM COc1nc(NC(=O)[C@H]2CCC(C)=C(C)C2)n[n-]1 ZINC000648848999 392087943 /nfs/dbraw/zinc/08/79/43/392087943.db2.gz YOWGIAVKIQDMCE-VIFPVBQESA-N -1 3 250.302 1.888 10 0 CDAEHM COc1nnc(NC(=O)[C@H]2CCC(C)=C(C)C2)[n-]1 ZINC000648848999 392087951 /nfs/dbraw/zinc/08/79/51/392087951.db2.gz YOWGIAVKIQDMCE-VIFPVBQESA-N -1 3 250.302 1.888 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H]2CCC(C)=C(C)C2)n1 ZINC000648848999 392087957 /nfs/dbraw/zinc/08/79/57/392087957.db2.gz YOWGIAVKIQDMCE-VIFPVBQESA-N -1 3 250.302 1.888 10 0 CDAEHM COC(C)(C)CS(=O)(=O)[N-]c1ccc2nccnc2c1 ZINC000439250407 392033265 /nfs/dbraw/zinc/03/32/65/392033265.db2.gz VGNFSHDMZMPCNV-UHFFFAOYSA-N -1 3 295.364 1.797 10 0 CDAEHM C[C@@H]1CC[C@@H](O)CN1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000422042998 392191933 /nfs/dbraw/zinc/19/19/33/392191933.db2.gz UQPRYIGVOLMDNY-VXNVDRBHSA-N -1 3 278.287 1.082 10 0 CDAEHM C[C@@H]1CC[C@@H](O)CN1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000422042998 392191936 /nfs/dbraw/zinc/19/19/36/392191936.db2.gz UQPRYIGVOLMDNY-VXNVDRBHSA-N -1 3 278.287 1.082 10 0 CDAEHM C[C@@H]1CC[C@@H](O)CN1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000422042998 392191940 /nfs/dbraw/zinc/19/19/40/392191940.db2.gz UQPRYIGVOLMDNY-VXNVDRBHSA-N -1 3 278.287 1.082 10 0 CDAEHM COC(=O)c1cc(C(=O)N(C)c2ccc(OC)nc2)c[n-]1 ZINC000432773798 392259374 /nfs/dbraw/zinc/25/93/74/392259374.db2.gz JYTAUAJKRQZUEM-UHFFFAOYSA-N -1 3 289.291 1.482 10 0 CDAEHM CN1CCC(O[N-]C(=O)[C@H]2C[C@]2(C)Br)CC1 ZINC000529287090 392301391 /nfs/dbraw/zinc/30/13/91/392301391.db2.gz UWGJDPCPTMDKNX-KOLCDFICSA-N -1 3 291.189 1.302 10 0 CDAEHM Cc1nn(C)c(C)c1CN1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000574322760 392571015 /nfs/dbraw/zinc/57/10/15/392571015.db2.gz UBBBQBKVWDKLGV-CABZTGNLSA-N -1 3 265.357 1.580 10 0 CDAEHM CO[C@H](CS(=O)(=O)[N-]c1ccc2n[nH]cc2c1)C1CC1 ZINC000516969368 392804000 /nfs/dbraw/zinc/80/40/00/392804000.db2.gz AXOQLJXVFQIXRF-CYBMUJFWSA-N -1 3 295.364 1.730 10 0 CDAEHM C[C@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)C1CCCC1 ZINC000269262305 132146057 /nfs/dbraw/zinc/14/60/57/132146057.db2.gz CJWKLOTXOYUSCO-QMMMGPOBSA-N -1 3 291.804 1.931 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CCOC[C@@H]1C ZINC000649229509 393122611 /nfs/dbraw/zinc/12/26/11/393122611.db2.gz BIZHOZWELNHNFX-GXSJLCMTSA-N -1 3 265.357 1.875 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccn(C)c(=O)c1 ZINC000649233229 393130370 /nfs/dbraw/zinc/13/03/70/393130370.db2.gz FOQWSWAAYLIZMH-UHFFFAOYSA-N -1 3 274.324 1.214 10 0 CDAEHM C[C@H]1CC(O)C[C@H](C)N1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459414169 393148886 /nfs/dbraw/zinc/14/88/86/393148886.db2.gz QCGBAOGUJNOWIS-UWVGGRQHSA-N -1 3 277.368 1.793 10 0 CDAEHM CC(=O)c1cccc(NC(=O)[C@H]2CCCN(C)C2=O)c1[O-] ZINC000516572015 393276334 /nfs/dbraw/zinc/27/63/34/393276334.db2.gz HSGFOEJVOQKHQJ-LLVKDONJSA-N -1 3 290.319 1.402 10 0 CDAEHM O=S(=O)(C[C@@H]1CCCCO1)[N-]Cc1cscn1 ZINC000171095542 139941319 /nfs/dbraw/zinc/94/13/19/139941319.db2.gz ZEPKIMGDWYQHRG-JTQLQIEISA-N -1 3 276.383 1.132 10 0 CDAEHM O=S1(=O)CCC[C@@H](NCc2cc([O-])cc(F)c2)C1 ZINC000223130325 140172911 /nfs/dbraw/zinc/17/29/11/140172911.db2.gz JAYYAFXYCPUMCU-LLVKDONJSA-N -1 3 273.329 1.198 10 0 CDAEHM Cc1ccc(C(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)c([O-])c1 ZINC000285431734 292059678 /nfs/dbraw/zinc/05/96/78/292059678.db2.gz ZXBGVJIAWSTPAG-ZFWWWQNUSA-N -1 3 290.363 1.246 10 0 CDAEHM Cc1ccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)c(=O)[nH]1 ZINC000119314978 292079372 /nfs/dbraw/zinc/07/93/72/292079372.db2.gz CYGYUYDDCRBZGN-UHFFFAOYSA-N -1 3 298.306 1.059 10 0 CDAEHM Cc1ccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)c(=O)[nH]1 ZINC000119314978 292079373 /nfs/dbraw/zinc/07/93/73/292079373.db2.gz CYGYUYDDCRBZGN-UHFFFAOYSA-N -1 3 298.306 1.059 10 0 CDAEHM CO[C@@H](COc1ccc2c([O-])coc2c1)[C@H]1CCOC1 ZINC000664137225 413100241 /nfs/dbraw/zinc/10/02/41/413100241.db2.gz YRAZVKKGGIZVDP-BONVTDFDSA-N -1 3 278.304 1.692 10 0 CDAEHM CCCCN1CCCC[C@@H]1CNC(=O)C(C)(C)C(=O)[O-] ZINC000649454808 397729354 /nfs/dbraw/zinc/72/93/54/397729354.db2.gz XFMPBSPEOQVBGI-GFCCVEGCSA-N -1 3 284.400 1.868 10 0 CDAEHM CC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)C(F)F)cc1 ZINC000390275095 397913820 /nfs/dbraw/zinc/91/38/20/397913820.db2.gz MRZSFPJAKDXDOM-SSDOTTSWSA-N -1 3 277.292 1.821 10 0 CDAEHM O=S(=O)([N-][C@@H]1CCCOC1)c1ccc(Cl)c(F)c1 ZINC000651551612 398094986 /nfs/dbraw/zinc/09/49/86/398094986.db2.gz GZPDXAORPGKSAX-MRVPVSSYSA-N -1 3 293.747 1.936 10 0 CDAEHM C[C@@H](O)CC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651568947 398101940 /nfs/dbraw/zinc/10/19/40/398101940.db2.gz CURUWFKKFQPYPE-SSDOTTSWSA-N -1 3 281.736 1.528 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)CC2CCC2)n[n-]1 ZINC000119793431 147327096 /nfs/dbraw/zinc/32/70/96/147327096.db2.gz SZWGCTCEEDBBBG-UHFFFAOYSA-N -1 3 259.313 1.939 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)CC2CCC2)[n-]n1 ZINC000119793431 147327100 /nfs/dbraw/zinc/32/71/00/147327100.db2.gz SZWGCTCEEDBBBG-UHFFFAOYSA-N -1 3 259.313 1.939 10 0 CDAEHM O=C(C=Cc1cncc([O-])c1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000182175985 148245496 /nfs/dbraw/zinc/24/54/96/148245496.db2.gz GYVRHNKGUFQTFQ-IHVVCDCBSA-N -1 3 299.334 1.672 10 0 CDAEHM COc1nnc(NC(=O)CCc2ccc(F)cc2F)[n-]1 ZINC000182982288 148279701 /nfs/dbraw/zinc/27/97/01/148279701.db2.gz KKUHNOLTNSWEIL-UHFFFAOYSA-N -1 3 282.250 1.663 10 0 CDAEHM COc1nc(NC(=O)CCc2ccc(F)cc2F)n[n-]1 ZINC000182982288 148279706 /nfs/dbraw/zinc/27/97/06/148279706.db2.gz KKUHNOLTNSWEIL-UHFFFAOYSA-N -1 3 282.250 1.663 10 0 CDAEHM COc1n[n-]c(NC(=O)CCc2ccc(F)cc2F)n1 ZINC000182982288 148279708 /nfs/dbraw/zinc/27/97/08/148279708.db2.gz KKUHNOLTNSWEIL-UHFFFAOYSA-N -1 3 282.250 1.663 10 0 CDAEHM CC(C)(C)N1C[C@@H](C(=O)NCc2ncccc2[O-])CC1=O ZINC000352506701 155235455 /nfs/dbraw/zinc/23/54/55/155235455.db2.gz IDXQOPAXYCWWJX-JTQLQIEISA-N -1 3 291.351 1.050 10 0 CDAEHM COc1ccc(C(=O)NCc2ncccc2[O-])c(OC)c1 ZINC000352506544 155235798 /nfs/dbraw/zinc/23/57/98/155235798.db2.gz GULLDOQPKZDWOM-UHFFFAOYSA-N -1 3 288.303 1.734 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1ccc2c(c1)OCCO2 ZINC000352516316 155243310 /nfs/dbraw/zinc/24/33/10/155243310.db2.gz LDSPOXOIGSNNCE-UHFFFAOYSA-N -1 3 286.287 1.488 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1cccc2c1OCO2 ZINC000352516770 155243474 /nfs/dbraw/zinc/24/34/74/155243474.db2.gz MVGXDEUJXQBCRH-UHFFFAOYSA-N -1 3 272.260 1.446 10 0 CDAEHM CO[C@H](CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)C1CCCC1 ZINC000660556383 413238514 /nfs/dbraw/zinc/23/85/14/413238514.db2.gz HAICOVOLEXGBCI-CHWSQXEVSA-N -1 3 294.399 1.895 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2O)o1 ZINC000335169931 150365319 /nfs/dbraw/zinc/36/53/19/150365319.db2.gz KTHNCOYVHMDKRK-WDEREUQCSA-N -1 3 273.354 1.417 10 0 CDAEHM Cc1cc([N-]C(=O)c2cc(S(C)(=O)=O)cs2)no1 ZINC000157530664 289288737 /nfs/dbraw/zinc/28/87/37/289288737.db2.gz GGMZCEJKMWETGZ-UHFFFAOYSA-N -1 3 286.334 1.700 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@H]2CSC[C@@H]2C)sc1C ZINC000343636600 152252470 /nfs/dbraw/zinc/25/24/70/152252470.db2.gz UKUGGPNKUBWIFD-XPUUQOCRSA-N -1 3 272.395 1.823 10 0 CDAEHM COc1cc(C(=O)N[C@H]2CC[C@@H]2C)cc(OC)c1[O-] ZINC000343991840 152382142 /nfs/dbraw/zinc/38/21/42/152382142.db2.gz TXOUCWVFACTGJQ-WPRPVWTQSA-N -1 3 265.309 1.938 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2cccc3c2OCO3)c[n-]1 ZINC000346215172 153101262 /nfs/dbraw/zinc/10/12/62/153101262.db2.gz AMPQKVGAIPWMPR-UHFFFAOYSA-N -1 3 288.259 1.782 10 0 CDAEHM O=C(NC1(CCO)CC1)c1cc(=O)c2ccccc2[n-]1 ZINC000349333913 154091759 /nfs/dbraw/zinc/09/17/59/154091759.db2.gz VEPOGPGOHNTXFM-UHFFFAOYSA-N -1 3 272.304 1.173 10 0 CDAEHM CC[C@@H](CSC)NC(=O)NCc1ncccc1[O-] ZINC000349799688 154221228 /nfs/dbraw/zinc/22/12/28/154221228.db2.gz HYGBMTWNORUEFU-VIFPVBQESA-N -1 3 269.370 1.728 10 0 CDAEHM Cc1n[nH]c(C)c1CC(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000375317557 160366147 /nfs/dbraw/zinc/36/61/47/160366147.db2.gz HYDZTELTLMJJIC-UHFFFAOYSA-N -1 3 296.334 1.415 10 0 CDAEHM CNC(=O)CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000357010277 157629588 /nfs/dbraw/zinc/62/95/88/157629588.db2.gz FDJHZVZFRJIQTE-UHFFFAOYSA-N -1 3 292.213 1.365 10 0 CDAEHM C/C=C/C[C@H]([N-]S(=O)(=O)CCCF)C(=O)OCC ZINC000361408067 158837433 /nfs/dbraw/zinc/83/74/33/158837433.db2.gz KOJHZXWBFKOTSF-GFAPAMAISA-N -1 3 281.349 1.163 10 0 CDAEHM O=C([N-]c1cnns1)C(=O)N1CCC[C@@H](CCF)C1 ZINC000658653725 413424317 /nfs/dbraw/zinc/42/43/17/413424317.db2.gz IGIRCBCWVNOSML-QMMMGPOBSA-N -1 3 286.332 1.075 10 0 CDAEHM CO[C@H](CNC(C)(C)c1nc(C)cc(=O)[n-]1)[C@H]1CCOC1 ZINC000660750220 413437746 /nfs/dbraw/zinc/43/77/46/413437746.db2.gz ZGRSCCCIWWKUEQ-NWDGAFQWSA-N -1 3 295.383 1.367 10 0 CDAEHM COc1cccc(C(=O)N2CC[C@@H](C)[C@H](O)C2)c1[O-] ZINC000089429651 165023664 /nfs/dbraw/zinc/02/36/64/165023664.db2.gz SJLAGOAMDXXEHH-MWLCHTKSSA-N -1 3 265.309 1.244 10 0 CDAEHM C[C@@H]1CN(Cc2cccc([O-])c2Cl)CCN1CCO ZINC000352984289 165077778 /nfs/dbraw/zinc/07/77/78/165077778.db2.gz JIVDLDJHOMJWQK-LLVKDONJSA-N -1 3 284.787 1.544 10 0 CDAEHM COc1cc([C@@H](C(=O)[O-])N(C)C)cc(OC)c1OC ZINC000016873038 170713476 /nfs/dbraw/zinc/71/34/76/170713476.db2.gz JEURAWNRJUDLIF-NSHDSACASA-N -1 3 269.297 1.400 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CCC12CCOCC2 ZINC000655394405 412171356 /nfs/dbraw/zinc/17/13/56/412171356.db2.gz DINYQZLYCLGQPZ-UHFFFAOYSA-N -1 3 262.309 1.111 10 0 CDAEHM NN=c1[nH]cccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000035358641 172148913 /nfs/dbraw/zinc/14/89/13/172148913.db2.gz NAMMYMGZQCMCEM-UHFFFAOYSA-N -1 3 284.385 1.368 10 0 CDAEHM Cc1ccc(F)cc1NC(=O)CNCCCC(=O)[O-] ZINC000035423276 172191808 /nfs/dbraw/zinc/19/18/08/172191808.db2.gz YELRTFJZHFYCEN-UHFFFAOYSA-N -1 3 268.288 1.527 10 0 CDAEHM N[C@@]1(C(=O)[O-])CCOc2ccc(Br)cc21 ZINC000036142165 172465499 /nfs/dbraw/zinc/46/54/99/172465499.db2.gz ZLXWRAZFBKXKRO-JTQLQIEISA-N -1 3 272.098 1.470 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]3C[C@H]32)nc1C ZINC000657149603 413973625 /nfs/dbraw/zinc/97/36/25/413973625.db2.gz OEZXQLMXVOSPML-RWMBFGLXSA-N -1 3 297.424 1.926 10 0 CDAEHM Cc1cc([N-]C(=O)[C@@H](C)N2CC[C@@H](O)C(F)(F)C2)on1 ZINC000661401202 414057131 /nfs/dbraw/zinc/05/71/31/414057131.db2.gz VYLRBFLULDAYTI-RKDXNWHRSA-N -1 3 289.282 1.012 10 0 CDAEHM CC(C)N(CCN(C)C)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665324203 414068062 /nfs/dbraw/zinc/06/80/62/414068062.db2.gz NNUCWDBVWXBXQG-ZDUSSCGKSA-N -1 3 299.415 1.469 10 0 CDAEHM Nc1n[nH]cc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1 ZINC000037558510 173270065 /nfs/dbraw/zinc/27/00/65/173270065.db2.gz YTJFASCRCVHXGK-UHFFFAOYSA-N -1 3 286.744 1.124 10 0 CDAEHM Cc1cn(C)nc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000663267597 414098215 /nfs/dbraw/zinc/09/82/15/414098215.db2.gz MLRYHQIKEGKSPE-ZCFIWIBFSA-N -1 3 276.218 1.106 10 0 CDAEHM C[C@@]1(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CCCCN1 ZINC000663278929 414116990 /nfs/dbraw/zinc/11/69/90/414116990.db2.gz BHBKUJFYAHEEEG-RISCZKNCSA-N -1 3 268.357 1.136 10 0 CDAEHM CN(C(=O)c1ccc(C(=O)[O-])cc1)[C@@H](CN)C(F)(F)F ZINC000663280935 414119883 /nfs/dbraw/zinc/11/98/83/414119883.db2.gz VXIUHRVSQSDOEB-VIFPVBQESA-N -1 3 290.241 1.346 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@H]3COC[C@@]3(C)C2)n1 ZINC000661705246 414298217 /nfs/dbraw/zinc/29/82/17/414298217.db2.gz UILMWLGZVCQAFK-COPLHBTASA-N -1 3 263.341 1.520 10 0 CDAEHM O=c1[n-]c(=O)c(C=C(Br)Br)c[nH]1 ZINC000038602563 174149222 /nfs/dbraw/zinc/14/92/22/174149222.db2.gz OXUGALGJCVZFLW-UHFFFAOYSA-N -1 3 295.918 1.151 10 0 CDAEHM NC1(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CCCC1 ZINC000040469736 174278254 /nfs/dbraw/zinc/27/82/54/174278254.db2.gz MPMLDGXRAILHQS-CYBMUJFWSA-N -1 3 288.347 1.296 10 0 CDAEHM C[C@@H](N)C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000040471879 174279885 /nfs/dbraw/zinc/27/98/85/174279885.db2.gz BVDSMOIREBAIPS-MRVPVSSYSA-N -1 3 258.277 1.824 10 0 CDAEHM 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1.361 10 0 CDAEHM CC[C@@H](C)NCC(=O)N(CC(=O)[O-])c1ccc(C)cc1 ZINC000040483846 174286987 /nfs/dbraw/zinc/28/69/87/174286987.db2.gz FCJZIOVVQBJBCQ-GFCCVEGCSA-N -1 3 278.352 1.801 10 0 CDAEHM NC1(C(=O)N(CC(=O)[O-])C2CCCC2)CCCC1 ZINC000040485763 174288486 /nfs/dbraw/zinc/28/84/86/174288486.db2.gz NBJAPXXWKRKGEI-UHFFFAOYSA-N -1 3 254.330 1.114 10 0 CDAEHM CC[C@@H](C)[C@@H](N)C(=O)N(CCCC(=O)[O-])C(C)C ZINC000040485412 174288626 /nfs/dbraw/zinc/28/86/26/174288626.db2.gz LVKVSQKWKROSEU-ZYHUDNBSSA-N -1 3 258.362 1.462 10 0 CDAEHM C[C@](N)(C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])C1CC1 ZINC000040486817 174289512 /nfs/dbraw/zinc/28/95/12/174289512.db2.gz LKJPIJGOYAQIAF-XJKSGUPXSA-N -1 3 288.347 1.152 10 0 CDAEHM CSCC[C@H](N)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000040486752 174289680 /nfs/dbraw/zinc/28/96/80/174289680.db2.gz ICZGXPCQHIEZPO-WDEREUQCSA-N -1 3 288.413 1.217 10 0 CDAEHM CCCC[C@H](NC(=O)N[C@@H]1CCCN(C)C1)C(=O)[O-] ZINC000040716416 174383810 /nfs/dbraw/zinc/38/38/10/174383810.db2.gz 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/nfs/dbraw/zinc/20/80/51/175208051.db2.gz MYYPKEWCNSLWEB-RISCZKNCSA-N -1 3 285.388 1.413 10 0 CDAEHM CN1CCCC[C@H]1CNC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000044565578 175208311 /nfs/dbraw/zinc/20/83/11/175208311.db2.gz HYEKNDDOOBBNSD-ZDUSSCGKSA-N -1 3 291.351 1.991 10 0 CDAEHM CCCNCC(=O)N1c2ccccc2C[C@@H]1C(=O)[O-] ZINC000044651007 175224921 /nfs/dbraw/zinc/22/49/21/175224921.db2.gz TXHRGVBDMLIDHB-GFCCVEGCSA-N -1 3 262.309 1.029 10 0 CDAEHM CC(C)(C)[C@@H](NC(=O)N[C@H]1CCN(C2CC2)C1)C(=O)[O-] ZINC000044680915 175229262 /nfs/dbraw/zinc/22/92/62/175229262.db2.gz LOQCMCAJLJELQM-ONGXEEELSA-N -1 3 283.372 1.022 10 0 CDAEHM CCOC[C@@H](C)[N-]S(=O)(=O)c1cc(N)ccc1F ZINC000044687236 175231720 /nfs/dbraw/zinc/23/17/20/175231720.db2.gz SQUKEWZUQQFOPG-MRVPVSSYSA-N -1 3 276.333 1.111 10 0 CDAEHM Cc1cc(NC(=O)N[C@H]2CCN(C)C2)ccc1C(=O)[O-] ZINC000044750914 175245080 /nfs/dbraw/zinc/24/50/80/175245080.db2.gz IVSSFRKCDZWAQG-NSHDSACASA-N -1 3 277.324 1.519 10 0 CDAEHM CCN(C)CCNC(=O)Nc1cccc(C)c1C(=O)[O-] ZINC000071172148 176052311 /nfs/dbraw/zinc/05/23/11/176052311.db2.gz NKAVHGIESVNKKI-UHFFFAOYSA-N -1 3 279.340 1.766 10 0 CDAEHM CC(C)C[C@@H]1COc2cccc(F)c2S(=O)(=O)[N-]1 ZINC000072136589 176322209 /nfs/dbraw/zinc/32/22/09/176322209.db2.gz BQGQOMQEHCCANQ-SECBINFHSA-N -1 3 273.329 1.911 10 0 CDAEHM CNc1nc(C[N-]S(=O)(=O)c2cccs2)cs1 ZINC000074802995 176616754 /nfs/dbraw/zinc/61/67/54/176616754.db2.gz IHCSAJFPYIKDDO-UHFFFAOYSA-N -1 3 289.407 1.725 10 0 CDAEHM COc1ccc([C@H](C(=O)[O-])N(C)C2CC2)c(OC)c1 ZINC000076371119 177007625 /nfs/dbraw/zinc/00/76/25/177007625.db2.gz VIMRBJHMHTXIBV-CYBMUJFWSA-N -1 3 265.309 1.924 10 0 CDAEHM CC1(C)CCC([N-]S(=O)(=O)c2c[nH]nc2N)CC1 ZINC000079675332 177535605 /nfs/dbraw/zinc/53/56/05/177535605.db2.gz MYBCFKREGWQWOB-UHFFFAOYSA-N -1 3 272.374 1.239 10 0 CDAEHM C[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])[C@@H](C)[C@H](C)O1 ZINC000438401018 296920859 /nfs/dbraw/zinc/92/08/59/296920859.db2.gz PYKLYUVFFJRCIO-UTLUCORTSA-N -1 3 265.309 1.736 10 0 CDAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@@H]1C[C@]12CCOC2 ZINC000525967577 262358821 /nfs/dbraw/zinc/35/88/21/262358821.db2.gz SAAGCWKWMDQJRM-CHIMOYNISA-N -1 3 277.324 1.048 10 0 CDAEHM Cc1cc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)co1 ZINC000188504604 264015767 /nfs/dbraw/zinc/01/57/67/264015767.db2.gz JYILMYYDNWLCNN-UHFFFAOYSA-N -1 3 283.291 1.944 10 0 CDAEHM Cc1cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)co1 ZINC000188504604 264015769 /nfs/dbraw/zinc/01/57/69/264015769.db2.gz JYILMYYDNWLCNN-UHFFFAOYSA-N -1 3 283.291 1.944 10 0 CDAEHM O=C(NCCc1ccc2c(c1)OC(F)(F)O2)c1c[n-]nn1 ZINC000652938979 423916430 /nfs/dbraw/zinc/91/64/30/423916430.db2.gz FBTYXLAXQPCHJI-UHFFFAOYSA-N -1 3 296.233 1.099 10 0 CDAEHM O=C(NCCc1ccc2c(c1)OC(F)(F)O2)c1cnn[n-]1 ZINC000652938979 423916435 /nfs/dbraw/zinc/91/64/35/423916435.db2.gz FBTYXLAXQPCHJI-UHFFFAOYSA-N -1 3 296.233 1.099 10 0 CDAEHM O=C(NCCc1ccc2c(c1)OC(F)(F)O2)c1cn[n-]n1 ZINC000652938979 423916439 /nfs/dbraw/zinc/91/64/39/423916439.db2.gz FBTYXLAXQPCHJI-UHFFFAOYSA-N -1 3 296.233 1.099 10 0 CDAEHM CCN(C(=O)c1ccc2n[n-]nc2c1)[C@@H]1CCCOC1 ZINC000652816517 424246815 /nfs/dbraw/zinc/24/68/15/424246815.db2.gz DOIGRALQXGRLTI-LLVKDONJSA-N -1 3 274.324 1.599 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1cn(C)cn1)[C@@H]1CCCCO1 ZINC000655666747 424332057 /nfs/dbraw/zinc/33/20/57/424332057.db2.gz RPFUITFUFZDBMG-QWRGUYRKSA-N -1 3 287.385 1.046 10 0 CDAEHM CCNS(=O)(=O)[N-][C@@H](Cc1ccccc1)c1ncco1 ZINC000655677524 424361823 /nfs/dbraw/zinc/36/18/23/424361823.db2.gz RBAGDZJSPFSDPT-LBPRGKRZSA-N -1 3 295.364 1.402 10 0 CDAEHM CS(=O)(=O)[N-][C@@H](Cc1ccccc1)c1ncco1 ZINC000655677356 424362637 /nfs/dbraw/zinc/36/26/37/424362637.db2.gz LKWALXKDTLJPLK-NSHDSACASA-N -1 3 266.322 1.508 10 0 CDAEHM Cc1cnc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c([O-])c1 ZINC000655348103 424476434 /nfs/dbraw/zinc/47/64/34/424476434.db2.gz DRYTZMYELPTWQL-OLZOCXBDSA-N -1 3 289.379 1.842 10 0 CDAEHM C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000653308500 424550874 /nfs/dbraw/zinc/55/08/74/424550874.db2.gz 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278465322 /nfs/dbraw/zinc/46/53/22/278465322.db2.gz MUKWAYVCMDFTNF-UHFFFAOYSA-N -1 3 268.361 1.505 10 0 CDAEHM CC(C)C[C@H](C)CC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000194996361 279090399 /nfs/dbraw/zinc/09/03/99/279090399.db2.gz BHNMTSYZNWMIIX-NHYWBVRUSA-N -1 3 295.383 1.259 10 0 CDAEHM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000087618259 279256453 /nfs/dbraw/zinc/25/64/53/279256453.db2.gz GJFLQLDRIAGOPW-TZMCWYRMSA-N -1 3 288.347 1.197 10 0 CDAEHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC[C@](C)(O)C2)on1 ZINC000245957140 280242965 /nfs/dbraw/zinc/24/29/65/280242965.db2.gz UHDWFJLILQRXIA-MFKMUULPSA-N -1 3 267.329 1.157 10 0 CDAEHM Cc1c[nH]nc1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000191847022 280284134 /nfs/dbraw/zinc/28/41/34/280284134.db2.gz MHAGJIPPAGZNFK-UHFFFAOYSA-N -1 3 285.263 1.246 10 0 CDAEHM CC(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000096767780 280373413 /nfs/dbraw/zinc/37/34/13/280373413.db2.gz PJQHXTGJZRMNDO-GHMZBOCLSA-N -1 3 271.386 1.903 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@@](O)(C(F)(F)F)C2)n1 ZINC000248760536 280380776 /nfs/dbraw/zinc/38/07/76/280380776.db2.gz QLPSFUQSRLSWKW-KCJUWKMLSA-N -1 3 291.273 1.551 10 0 CDAEHM C[C@]1(c2cccc(C(=O)N[C@@H]3CC34CC4)c2)NC(=O)[N-]C1=O ZINC000519596383 281028559 /nfs/dbraw/zinc/02/85/59/281028559.db2.gz SISFWXQBSHCBHY-IAQYHMDHSA-N -1 3 299.330 1.024 10 0 CDAEHM CC1(C)CC[C@H](C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)O1 ZINC000527499521 281145531 /nfs/dbraw/zinc/14/55/31/281145531.db2.gz JEPBQBZGWAHVMR-GHMZBOCLSA-N -1 3 279.340 1.579 10 0 CDAEHM CCON=C([O-])Nc1cn(C)nc1-c1ccco1 ZINC000529235647 281338679 /nfs/dbraw/zinc/33/86/79/281338679.db2.gz AGOOIGGZQRWOME-UHFFFAOYSA-N -1 3 250.258 1.753 10 0 CDAEHM CCO[N-]C(=O)Nc1cn(C)nc1-c1ccco1 ZINC000529235647 281338681 /nfs/dbraw/zinc/33/86/81/281338681.db2.gz AGOOIGGZQRWOME-UHFFFAOYSA-N -1 3 250.258 1.753 10 0 CDAEHM O=S(=O)([N-]CCC[C@@H]1CCCC[C@@H]1O)c1ccccn1 ZINC000151989191 289111652 /nfs/dbraw/zinc/11/16/52/289111652.db2.gz JHAMELZVBWJHNE-STQMWFEESA-N -1 3 298.408 1.691 10 0 CDAEHM COc1ccsc1S(=O)(=O)[N-]CC[C@H]1CCOC1 ZINC000542250225 289537342 /nfs/dbraw/zinc/53/73/42/289537342.db2.gz VVZVNLROCDSWIJ-VIFPVBQESA-N -1 3 291.394 1.462 10 0 CDAEHM CC(C)(C)n1cnc([N-]C(=O)c2cnc3nccnc3c2)n1 ZINC000546754077 289750135 /nfs/dbraw/zinc/75/01/35/289750135.db2.gz KUCOTRRPDDTXOK-UHFFFAOYSA-N -1 3 297.322 1.624 10 0 CDAEHM O=S(=O)([N-]CCC1(F)CCC1)c1ccccn1 ZINC000553551482 290126130 /nfs/dbraw/zinc/12/61/30/290126130.db2.gz NMVLPNGJIBDOFD-UHFFFAOYSA-N -1 3 258.318 1.642 10 0 CDAEHM COc1cc(=NC(=O)NCCSC(C)C)[n-]n1C ZINC000562267156 293122665 /nfs/dbraw/zinc/12/26/65/293122665.db2.gz NBSKFGLPPDDSFI-UHFFFAOYSA-N -1 3 272.374 1.114 10 0 CDAEHM COc1cc(=NC(=O)N2CCS[C@@H](C)CC2)[n-]n1C ZINC000562363806 293144006 /nfs/dbraw/zinc/14/40/06/293144006.db2.gz UVQQKHMPBMIKAF-VIFPVBQESA-N -1 3 284.385 1.210 10 0 CDAEHM Cn1cc(C(=O)N2CCC(C)(C3CC3)CC2)c(=O)[n-]c1=O ZINC000564629058 293381062 /nfs/dbraw/zinc/38/10/62/293381062.db2.gz XUMJJDOUGKJTFM-UHFFFAOYSA-N -1 3 291.351 1.138 10 0 CDAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1scnc1C)C1CC1 ZINC000564906571 293452177 /nfs/dbraw/zinc/45/21/77/293452177.db2.gz POKGTTNHCHMXSW-JTQLQIEISA-N -1 3 290.410 1.296 10 0 CDAEHM CCCC[C@H](C)N(C)C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000565921344 293710905 /nfs/dbraw/zinc/71/09/05/293710905.db2.gz GAUZIAHFHDGROP-JTQLQIEISA-N -1 3 268.361 1.893 10 0 CDAEHM O=C(c1ccccc1[O-])N1CC[C@H](OC(F)F)C1 ZINC000568654368 294079536 /nfs/dbraw/zinc/07/95/36/294079536.db2.gz YSXPFBRNEBKELF-QMMMGPOBSA-N -1 3 257.236 1.846 10 0 CDAEHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1nc(C)n(C)n1 ZINC000569131833 294165338 /nfs/dbraw/zinc/16/53/38/294165338.db2.gz CZHKRYMWRPTGBW-UHFFFAOYSA-N -1 3 277.328 1.871 10 0 CDAEHM COc1cc(=NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)[n-]n1C ZINC000570903196 294329646 /nfs/dbraw/zinc/32/96/46/294329646.db2.gz SZGHWWMJFTWPKL-COLVAYQJSA-N -1 3 285.347 1.839 10 0 CDAEHM CCc1cccc(C(=O)N2CC(=O)N(CC)C2)c1[O-] ZINC000571018084 294350838 /nfs/dbraw/zinc/35/08/38/294350838.db2.gz GDILZWTYKIOEQH-UHFFFAOYSA-N -1 3 262.309 1.216 10 0 CDAEHM CCc1cccc(C(=O)N2CCN(CCO)C[C@@H]2C)c1[O-] ZINC000571260467 294397024 /nfs/dbraw/zinc/39/70/24/294397024.db2.gz MNNIWDNPOFCXRN-LBPRGKRZSA-N -1 3 292.379 1.093 10 0 CDAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCCC[C@H]1F)C1CC1 ZINC000571793980 294507502 /nfs/dbraw/zinc/50/75/02/294507502.db2.gz GYBKJOBOYPQTKN-IJLUTSLNSA-N -1 3 279.377 1.612 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CCCC[C@@H]1C(F)F ZINC000574823259 295061082 /nfs/dbraw/zinc/06/10/82/295061082.db2.gz SESHGTRXAKMOMV-LLVKDONJSA-N -1 3 270.279 1.976 10 0 CDAEHM COc1cccc(-c2nc(-c3ccc(=O)n(C)c3)no2)c1[O-] ZINC000350925428 316221260 /nfs/dbraw/zinc/22/12/60/316221260.db2.gz KETHYCQIELUUKN-UHFFFAOYSA-N -1 3 299.286 1.817 10 0 CDAEHM CO[C@H](CS(=O)(=O)[N-]c1cc(CO)ccc1C)C1CC1 ZINC000566229085 316521981 /nfs/dbraw/zinc/52/19/81/316521981.db2.gz HALWLUJJWJHQEG-CQSZACIVSA-N -1 3 299.392 1.654 10 0 CDAEHM Cc1cc([N-]C(=O)[C@H](C)N(C)Cc2cnn(C)c2C)on1 ZINC000576189170 317093046 /nfs/dbraw/zinc/09/30/46/317093046.db2.gz MFAFQRBSZIYHCR-NSHDSACASA-N -1 3 291.355 1.484 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2C2CCC2)nc1=N ZINC000576523982 317155824 /nfs/dbraw/zinc/15/58/24/317155824.db2.gz NFCFSQSGFFAKEU-TUAOUCFPSA-N -1 3 289.383 1.327 10 0 CDAEHM Cn1nccc1C1=CCN(C(=O)Cc2cncc([O-])c2)CC1 ZINC000576838430 317218455 /nfs/dbraw/zinc/21/84/55/317218455.db2.gz RAODJJGDQVEUNF-UHFFFAOYSA-N -1 3 298.346 1.379 10 0 CDAEHM Cc1cscc1C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000578029692 317457373 /nfs/dbraw/zinc/45/73/73/317457373.db2.gz MMTKOWXCACFJLM-JTQLQIEISA-N -1 3 291.380 1.575 10 0 CDAEHM CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C)cc2F)C1 ZINC000191052198 323493318 /nfs/dbraw/zinc/49/33/18/323493318.db2.gz IBLWQEJLWCSBAM-QWRGUYRKSA-N -1 3 287.356 1.980 10 0 CDAEHM C[C@H](O)[C@H]([N-]S(=O)(=O)CCCF)c1ccccc1F ZINC000580777726 324559070 /nfs/dbraw/zinc/55/90/70/324559070.db2.gz FKZHZVXOOBBHTD-CABZTGNLSA-N -1 3 293.335 1.527 10 0 CDAEHM O=S(=O)([N-]CCC[C@@H]1CCOC1)c1cscn1 ZINC000582417971 324972017 /nfs/dbraw/zinc/97/20/17/324972017.db2.gz XCTZCGSOPXDYIQ-SECBINFHSA-N -1 3 276.383 1.238 10 0 CDAEHM CO[C@H]1CN(C(=O)Cc2cncc([O-])c2)CC[C@@H]1C ZINC000583510199 325191939 /nfs/dbraw/zinc/19/19/39/325191939.db2.gz KFUWKYLWWXYEKK-GWCFXTLKSA-N -1 3 264.325 1.213 10 0 CDAEHM CO[C@@H](CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)C1CC1 ZINC000583930781 325269200 /nfs/dbraw/zinc/26/92/00/325269200.db2.gz PDAIOTJAIZEASF-MNOVXSKESA-N -1 3 266.345 1.115 10 0 CDAEHM Cc1nsc(C)c1Cn1cc(Cl)c(=O)[n-]c1=O ZINC000584241510 327124987 /nfs/dbraw/zinc/12/49/87/327124987.db2.gz NGEMRVPXXKIZCB-UHFFFAOYSA-N -1 3 271.729 1.724 10 0 CDAEHM CCOc1nnc(NC(=O)COc2ccc(CC)cc2)[n-]1 ZINC000228780188 1159871076 /nfs/dbraw/zinc/87/10/76/1159871076.db2.gz DLZZEOMHKOKOBJ-UHFFFAOYSA-N -1 3 290.323 1.783 10 0 CDAEHM CCOc1nc(NC(=O)COc2ccc(CC)cc2)n[n-]1 ZINC000228780188 1159871089 /nfs/dbraw/zinc/87/10/89/1159871089.db2.gz DLZZEOMHKOKOBJ-UHFFFAOYSA-N -1 3 290.323 1.783 10 0 CDAEHM CCOc1n[n-]c(NC(=O)COc2ccc(CC)cc2)n1 ZINC000228780188 1159871102 /nfs/dbraw/zinc/87/11/02/1159871102.db2.gz DLZZEOMHKOKOBJ-UHFFFAOYSA-N -1 3 290.323 1.783 10 0 CDAEHM C[C@@H](CN(C)C)NC(=O)c1c([O-])cc(F)cc1F ZINC000672516750 482567321 /nfs/dbraw/zinc/56/73/21/482567321.db2.gz GJOPLABALWNPAH-ZETCQYMHSA-N -1 3 258.268 1.350 10 0 CDAEHM O=C(c1ccccc1[O-])N1CC[C@@H](N2CCC2)[C@H](F)C1 ZINC000684187854 482680406 /nfs/dbraw/zinc/68/04/06/482680406.db2.gz VDHFITAQBXORNI-CHWSQXEVSA-N -1 3 278.327 1.651 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)CCC(F)F)n[n-]1 ZINC000684593051 482899787 /nfs/dbraw/zinc/89/97/87/482899787.db2.gz UGHHYWYFCSONSU-UHFFFAOYSA-N -1 3 269.255 1.794 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)CCC(F)F)[n-]n1 ZINC000684593051 482899793 /nfs/dbraw/zinc/89/97/93/482899793.db2.gz UGHHYWYFCSONSU-UHFFFAOYSA-N -1 3 269.255 1.794 10 0 CDAEHM CC(C)n1ncnc1CNC(=O)c1cccc2nn[n-]c21 ZINC000684852687 483001345 /nfs/dbraw/zinc/00/13/45/483001345.db2.gz ZHNBOCBVFYWVEM-UHFFFAOYSA-N -1 3 285.311 1.060 10 0 CDAEHM CC(C)n1ncnc1CNC(=O)c1cccc2[n-]nnc21 ZINC000684852687 483001350 /nfs/dbraw/zinc/00/13/50/483001350.db2.gz ZHNBOCBVFYWVEM-UHFFFAOYSA-N -1 3 285.311 1.060 10 0 CDAEHM CC(C)n1ncnc1CNC(=O)c1cccc2n[n-]nc21 ZINC000684852687 483001359 /nfs/dbraw/zinc/00/13/59/483001359.db2.gz ZHNBOCBVFYWVEM-UHFFFAOYSA-N -1 3 285.311 1.060 10 0 CDAEHM COC[C@H](CC1CCOCC1)NCc1ncccc1[O-] ZINC000668092665 483063490 /nfs/dbraw/zinc/06/34/90/483063490.db2.gz PMQIPJIMAUADAF-ZDUSSCGKSA-N -1 3 280.368 1.709 10 0 CDAEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC(F)(F)C1)c2=O ZINC000679919365 483194304 /nfs/dbraw/zinc/19/43/04/483194304.db2.gz GVIWICARPTXUAF-UHFFFAOYSA-N -1 3 294.257 1.628 10 0 CDAEHM Oc1[n-]c(N2CC[C@@H](C(F)F)C2)nc2nncc1-2 ZINC000685919550 483260466 /nfs/dbraw/zinc/26/04/66/483260466.db2.gz KCKBLFBBWXFRMY-RXMQYKEDSA-N -1 3 255.228 1.150 10 0 CDAEHM COc1nc(NC(=O)C[C@H]2CCc3ccccc32)n[n-]1 ZINC000679320127 483336960 /nfs/dbraw/zinc/33/69/60/483336960.db2.gz LCFSWGOMXCIOCI-SNVBAGLBSA-N -1 3 272.308 1.872 10 0 CDAEHM COc1nnc(NC(=O)C[C@H]2CCc3ccccc32)[n-]1 ZINC000679320127 483336964 /nfs/dbraw/zinc/33/69/64/483336964.db2.gz LCFSWGOMXCIOCI-SNVBAGLBSA-N -1 3 272.308 1.872 10 0 CDAEHM COc1n[n-]c(NC(=O)C[C@H]2CCc3ccccc32)n1 ZINC000679320127 483336965 /nfs/dbraw/zinc/33/69/65/483336965.db2.gz LCFSWGOMXCIOCI-SNVBAGLBSA-N -1 3 272.308 1.872 10 0 CDAEHM CC(C)CN(CC(=O)[O-])C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000062742379 519710963 /nfs/dbraw/zinc/71/09/63/519710963.db2.gz JMRABIBRLZYZFA-XQQFMLRXSA-N -1 3 284.400 1.817 10 0 CDAEHM CC(C)[C@@H](CN(C)C)NC(=O)N(CCC(=O)[O-])C1CC1 ZINC000049230691 519793310 /nfs/dbraw/zinc/79/33/10/519793310.db2.gz GIVWZFRKTUECEY-GFCCVEGCSA-N -1 3 285.388 1.221 10 0 CDAEHM CCO[C@@H](CCN1CCN(CC(C)C)CC1)C(=O)[O-] ZINC000062756760 520293433 /nfs/dbraw/zinc/29/34/33/520293433.db2.gz FBCOXNQDXKJKHH-ZDUSSCGKSA-N -1 3 272.389 1.140 10 0 CDAEHM CCN(CC(=O)N(C)Cc1ccccc1)[C@@H](C)CC(=O)[O-] ZINC000061183621 520304251 /nfs/dbraw/zinc/30/42/51/520304251.db2.gz QQBVXDREALDLGK-ZDUSSCGKSA-N -1 3 292.379 1.830 10 0 CDAEHM CC1(C)[C@H](NC(=O)c2cccc([O-])c2)[C@H]2CCO[C@@H]21 ZINC000182495390 520664563 /nfs/dbraw/zinc/66/45/63/520664563.db2.gz OBPNHGRSKJYLPV-UPJWGTAASA-N -1 3 261.321 1.936 10 0 CDAEHM CCN(CC)CCN=c1[n-]nc(C2CCOCC2)s1 ZINC000338626982 520665286 /nfs/dbraw/zinc/66/52/86/520665286.db2.gz PJZRQKHEFGEHAI-UHFFFAOYSA-N -1 3 284.429 1.608 10 0 CDAEHM CC1CCN(CCNC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000068688661 521014742 /nfs/dbraw/zinc/01/47/42/521014742.db2.gz YRAFOPJIXPWPOC-VXGBXAGGSA-N -1 3 282.384 1.191 10 0 CDAEHM CCN(C[C@@H](C)C(=O)[O-])[C@@H](C)C(=O)N1CCCC1 ZINC000061218590 521198361 /nfs/dbraw/zinc/19/83/61/521198361.db2.gz OQJAUCJWLHTNPN-MNOVXSKESA-N -1 3 256.346 1.040 10 0 CDAEHM CCCC[C@H](NC(=O)N[C@@H](C)CN1CCCCC1)C(=O)[O-] ZINC000049502786 521223737 /nfs/dbraw/zinc/22/37/37/521223737.db2.gz DYJWTUJWURSNOD-STQMWFEESA-N -1 3 299.415 1.803 10 0 CDAEHM CCN(C[C@H](C)C(=O)[O-])C(=O)Nc1cccc(CNC)c1 ZINC000061224915 521242886 /nfs/dbraw/zinc/24/28/86/521242886.db2.gz VBRJYOBPERTYLB-NSHDSACASA-N -1 3 293.367 1.981 10 0 CDAEHM CCS[C@H](C(=O)Nc1nnc(OC)[n-]1)C(C)C ZINC000182989748 521728610 /nfs/dbraw/zinc/72/86/10/521728610.db2.gz UCTGQOSEPNWDKP-ZETCQYMHSA-N -1 3 258.347 1.530 10 0 CDAEHM CCS[C@H](C(=O)Nc1n[n-]c(OC)n1)C(C)C ZINC000182989748 521728611 /nfs/dbraw/zinc/72/86/11/521728611.db2.gz UCTGQOSEPNWDKP-ZETCQYMHSA-N -1 3 258.347 1.530 10 0 CDAEHM CCS[C@H](C(=O)Nc1nc(OC)n[n-]1)C(C)C ZINC000182989748 521728612 /nfs/dbraw/zinc/72/86/12/521728612.db2.gz UCTGQOSEPNWDKP-ZETCQYMHSA-N -1 3 258.347 1.530 10 0 CDAEHM CCN=c1[n-]c(C(=O)NCC[C@H](O)C(F)(F)F)cs1 ZINC000337039429 521731206 /nfs/dbraw/zinc/73/12/06/521731206.db2.gz LMHVAWISBBCVCW-ZETCQYMHSA-N -1 3 297.302 1.040 10 0 CDAEHM CC[C@@H](C)[C@H](C)NC(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000061146054 522356885 /nfs/dbraw/zinc/35/68/85/522356885.db2.gz LREXQNSSYYKPHH-NEPJUHHUSA-N -1 3 285.388 1.223 10 0 CDAEHM CC[C@H]1CN(Cc2ccnc(C(=O)[O-])c2)CCN1C ZINC000068764031 523294112 /nfs/dbraw/zinc/29/41/12/523294112.db2.gz GYOPUDQUXXJRKW-LBPRGKRZSA-N -1 3 263.341 1.306 10 0 CDAEHM COc1ccc(C(=O)N2CC(F)(F)C[C@H]2CO)c([O-])c1 ZINC000366692486 523620190 /nfs/dbraw/zinc/62/01/90/523620190.db2.gz SIOJKELPLADTQE-QMMMGPOBSA-N -1 3 287.262 1.243 10 0 CDAEHM COc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c([O-])c1 ZINC000164019758 523673528 /nfs/dbraw/zinc/67/35/28/523673528.db2.gz XFQFSEQQHUSESE-PHIMTYICSA-N -1 3 276.336 1.367 10 0 CDAEHM COC(=O)[C@@H]1C[C@H]1C(=O)[N-]OCc1ccc(F)cc1 ZINC000184144939 523801749 /nfs/dbraw/zinc/80/17/49/523801749.db2.gz PBPXDYGKCTXTTG-GHMZBOCLSA-N -1 3 267.256 1.183 10 0 CDAEHM CN1CCCN(c2nc3c(cc2C(=O)[O-])CCCC3)CC1 ZINC000054532385 523811810 /nfs/dbraw/zinc/81/18/10/523811810.db2.gz CZKSRAYGNSTNTK-UHFFFAOYSA-N -1 3 289.379 1.801 10 0 CDAEHM CN(C(=O)CN(CCC(=O)[O-])C(C)(C)C)C1CC1 ZINC000049306406 523813998 /nfs/dbraw/zinc/81/39/98/523813998.db2.gz VHYRHMBHMPBSQB-UHFFFAOYSA-N -1 3 256.346 1.182 10 0 CDAEHM C[C@H](CN1CCCCC1)NC(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000049502771 524330232 /nfs/dbraw/zinc/33/02/32/524330232.db2.gz RVIYORUYFNNKEI-ABAIWWIYSA-N -1 3 297.399 1.413 10 0 CDAEHM C[C@@H](CN1CCCC1)N1C(=O)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]1C ZINC000051605181 524587705 /nfs/dbraw/zinc/58/77/05/524587705.db2.gz BXIQOCRPKGCEQE-ZJQBRPOHSA-N -1 3 282.384 1.428 10 0 CDAEHM Cc1ccc(F)c(CN[C@]2(C(=O)[O-])CCOC2)c1 ZINC000340670932 524809327 /nfs/dbraw/zinc/80/93/27/524809327.db2.gz GPMDKZBYKOFQCM-CYBMUJFWSA-N -1 3 253.273 1.467 10 0 CDAEHM Cc1ccc([O-])c(CN2CCOC[C@H]2[C@@H]2CCCC2=O)n1 ZINC000364948634 525343987 /nfs/dbraw/zinc/34/39/87/525343987.db2.gz IZHIJNQODXZJAQ-JSGCOSHPSA-N -1 3 290.363 1.666 10 0 CDAEHM Cc1c(CNC(=O)c2cc(=O)c3ccccc3[n-]2)cnn1C ZINC000340345946 525720355 /nfs/dbraw/zinc/72/03/55/525720355.db2.gz HHSORZTUGDFDES-UHFFFAOYSA-N -1 3 296.330 1.500 10 0 CDAEHM Cc1cnc(C[N-]S(=O)(=O)c2ccnc(Cl)c2)cn1 ZINC000061322245 526042673 /nfs/dbraw/zinc/04/26/73/526042673.db2.gz QKUUUHVLALFPKV-UHFFFAOYSA-N -1 3 298.755 1.312 10 0 CDAEHM Cc1ccc(C(=O)NC[C@H](C)N2CCOCC2)c([O-])c1C ZINC000052610601 526179190 /nfs/dbraw/zinc/17/91/90/526179190.db2.gz CFVGNCMBFXYWBN-LBPRGKRZSA-N -1 3 292.379 1.460 10 0 CDAEHM O=C([O-])[C@@]1(NCc2cc(F)cc(F)c2)CCOC1 ZINC000340678789 526296315 /nfs/dbraw/zinc/29/63/15/526296315.db2.gz MEDJBMRMWUQGKA-GFCCVEGCSA-N -1 3 257.236 1.298 10 0 CDAEHM O=C([O-])[C@]1(NCc2cc(F)c(F)c(F)c2)CCOC1 ZINC000340672609 526338930 /nfs/dbraw/zinc/33/89/30/526338930.db2.gz BYZGIHSTZINSNW-LBPRGKRZSA-N -1 3 275.226 1.437 10 0 CDAEHM NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000182561566 527001154 /nfs/dbraw/zinc/00/11/54/527001154.db2.gz VJBBKMPKWPRJQK-RYUDHWBXSA-N -1 3 262.309 1.166 10 0 CDAEHM Cn1c(=O)[n-]nc1Sc1ncccc1Br ZINC000061593197 527022154 /nfs/dbraw/zinc/02/21/54/527022154.db2.gz NPFRZFPCHMQDLV-UHFFFAOYSA-N -1 3 287.142 1.417 10 0 CDAEHM NC(=O)c1ccccc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000050510841 527089236 /nfs/dbraw/zinc/08/92/36/527089236.db2.gz QEYXGWWAPJWUHL-CQSZACIVSA-N -1 3 284.315 1.701 10 0 CDAEHM Cc1nc[nH]c1CNc1ccc2c(c1)C(=O)[N-]C2=O ZINC000054793950 527216039 /nfs/dbraw/zinc/21/60/39/527216039.db2.gz ILDPQGFHISPCQX-UHFFFAOYSA-N -1 3 256.265 1.214 10 0 CDAEHM O=c1[n-]nc([C@H](O)c2ccccc2)n1Cc1cccs1 ZINC000067846628 527447309 /nfs/dbraw/zinc/44/73/09/527447309.db2.gz DJDRTWFXMOOKHV-GFCCVEGCSA-N -1 3 287.344 1.763 10 0 CDAEHM O=c1ccn(CCc2ccc3c(c2)OCCO3)c(=S)[n-]1 ZINC000052312743 527490930 /nfs/dbraw/zinc/49/09/30/527490930.db2.gz IIQJYMKVBBHRFO-UHFFFAOYSA-N -1 3 290.344 1.920 10 0 CDAEHM CC(C)[C@@H]1CCN(C(=O)CNC(=O)c2cccc([O-])c2)C1 ZINC000427138650 535249532 /nfs/dbraw/zinc/24/95/32/535249532.db2.gz ZPTUGRPCNJNXSR-CYBMUJFWSA-N -1 3 290.363 1.627 10 0 CDAEHM CCOC(=O)[C@@H](CC)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000412298273 535449470 /nfs/dbraw/zinc/44/94/70/535449470.db2.gz LBXKKBAIKBQRHH-ONGXEEELSA-N -1 3 295.339 1.211 10 0 CDAEHM CC[C@H](NC(=O)c1cccc([O-])c1)[C@H](O)C(C)C ZINC000413983202 535883679 /nfs/dbraw/zinc/88/36/79/535883679.db2.gz STVOPBUAEXAIME-QWHCGFSZSA-N -1 3 251.326 1.918 10 0 CDAEHM COc1cc(C(=O)N[C@H]2CCC[C@H](CO)C2)ccc1[O-] ZINC000414038181 536520366 /nfs/dbraw/zinc/52/03/66/536520366.db2.gz JBDPBODVSKKRGT-JQWIXIFHSA-N -1 3 279.336 1.682 10 0 CDAEHM CO[C@H](C[N-]S(=O)(=O)c1ccc(C)o1)CC(C)C ZINC000416644912 536641952 /nfs/dbraw/zinc/64/19/52/536641952.db2.gz JKAXMXPSTGNHRK-NSHDSACASA-N -1 3 275.370 1.927 10 0 CDAEHM CC(C)OC[C@H](O)COc1ccc2c([O-])coc2c1 ZINC000070099713 538377787 /nfs/dbraw/zinc/37/77/87/538377787.db2.gz FNBUNNZXKKKISZ-JTQLQIEISA-N -1 3 266.293 1.426 10 0 CDAEHM O=C(NCC[C@@H]1CCCO1)c1c([O-])cccc1O ZINC000092106480 538512722 /nfs/dbraw/zinc/51/27/22/538512722.db2.gz KHULUNFGDBMGHF-VIFPVBQESA-N -1 3 251.282 1.397 10 0 CDAEHM CCCCN(CCCC)S(=O)(=O)[N-][C@H]1CCOC1=O ZINC000728290915 574626338 /nfs/dbraw/zinc/62/63/38/574626338.db2.gz BYVCLBFSBIVGNV-NSHDSACASA-N -1 3 292.401 1.039 10 0 CDAEHM CCC[C@H](C)c1noc(CN2CC(=O)[N-]C2=O)n1 ZINC000761845071 576597183 /nfs/dbraw/zinc/59/71/83/576597183.db2.gz QEEKOEWXUQBXTC-ZETCQYMHSA-N -1 3 252.274 1.025 10 0 CDAEHM CCO[C@H]1C[C@@H]1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000772481702 575707953 /nfs/dbraw/zinc/70/79/53/575707953.db2.gz ULTNNENIXMBOLE-WPRPVWTQSA-N -1 3 275.312 1.174 10 0 CDAEHM CCO[C@H]1C[C@@H]1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000772481702 575707956 /nfs/dbraw/zinc/70/79/56/575707956.db2.gz ULTNNENIXMBOLE-WPRPVWTQSA-N -1 3 275.312 1.174 10 0 CDAEHM Cc1ccc(CC(=O)N2CCCN(CC(=O)[O-])CC2)s1 ZINC000738268515 576055614 /nfs/dbraw/zinc/05/56/14/576055614.db2.gz JCEBZUVFWULZKH-UHFFFAOYSA-N -1 3 296.392 1.218 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC000761886828 576603469 /nfs/dbraw/zinc/60/34/69/576603469.db2.gz MQGYTCSDGQBNBY-LLVKDONJSA-N -1 3 293.367 1.654 10 0 CDAEHM CCC(=O)OCC(=O)N=c1cc[n-]n1[C@H](C)C1CC1 ZINC000744483980 576683119 /nfs/dbraw/zinc/68/31/19/576683119.db2.gz RDAQQPSNLCMHIW-SECBINFHSA-N -1 3 265.313 1.168 10 0 CDAEHM O=C(Nc1ccnc(CO)c1)c1nnc2ccccc2c1[O-] ZINC000763248024 576725704 /nfs/dbraw/zinc/72/57/04/576725704.db2.gz YGPLUTJSKPYCDR-UHFFFAOYSA-N -1 3 296.286 1.475 10 0 CDAEHM Cc1noc([C@@H]2CCCN(Cc3nc(C)cc(=O)[n-]3)C2)n1 ZINC000754799259 576916213 /nfs/dbraw/zinc/91/62/13/576916213.db2.gz RCFOTIYIMFYDLH-LLVKDONJSA-N -1 3 289.339 1.562 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CC[C@H]([C@H]3CCOC3)C2)n1 ZINC000750264072 576983103 /nfs/dbraw/zinc/98/31/03/576983103.db2.gz YOTWDOYUTQEALX-RYUDHWBXSA-N -1 3 263.341 1.349 10 0 CDAEHM C[C@@H](OC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(F)cc1F ZINC000751563659 577050665 /nfs/dbraw/zinc/05/06/65/577050665.db2.gz GXXWSRRWXJVQHX-LDWIPMOCSA-N -1 3 298.245 1.167 10 0 CDAEHM Cc1cncc(/C=C\C(=O)[N-]OCC(C)(C)O)c1 ZINC000753082382 577143896 /nfs/dbraw/zinc/14/38/96/577143896.db2.gz JLWVVGGTPVNFIM-PLNGDYQASA-N -1 3 250.298 1.222 10 0 CDAEHM COC[C@@H](C)S(=O)(=O)[N-][C@@H](c1nc(C)no1)C(C)C ZINC000117921937 1175031203 /nfs/dbraw/zinc/03/12/03/1175031203.db2.gz LYWHEWUSBRJYML-PSASIEDQSA-N -1 3 291.373 1.029 10 0 CDAEHM CCC(CC)(CC)[N-]S(=O)(=O)N=[S@@](C)(=O)CC ZINC000866869524 617447656 /nfs/dbraw/zinc/44/76/56/617447656.db2.gz KBPOLEFKTCBCCS-INIZCTEOSA-N -1 3 284.447 1.907 10 0 CDAEHM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000897431932 620781435 /nfs/dbraw/zinc/78/14/35/620781435.db2.gz RXELXVRHBVJKMH-JOYOIKCWSA-N -1 3 286.339 1.522 10 0 CDAEHM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000897431932 620781437 /nfs/dbraw/zinc/78/14/37/620781437.db2.gz RXELXVRHBVJKMH-JOYOIKCWSA-N -1 3 286.339 1.522 10 0 CDAEHM CCC1CCC(NCc2cn(CC(=O)[O-])nn2)CC1 ZINC000901805006 618255006 /nfs/dbraw/zinc/25/50/06/618255006.db2.gz WYTOBSPQXGEENT-UHFFFAOYSA-N -1 3 266.345 1.421 10 0 CDAEHM Cn1c(Cl)cnc1CN[C@@](C)(CCF)C(=O)[O-] ZINC000901918489 618341032 /nfs/dbraw/zinc/34/10/32/618341032.db2.gz DJZCVXOOILORJX-JTQLQIEISA-N -1 3 263.700 1.366 10 0 CDAEHM CN(C)Cc1cccc(C(=O)NCC(C)(C)CC(=O)[O-])c1 ZINC000910829912 618541462 /nfs/dbraw/zinc/54/14/62/618541462.db2.gz PBFZADAQDXJXNR-UHFFFAOYSA-N -1 3 292.379 1.979 10 0 CDAEHM CCN(CC)CC(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000909504698 619443854 /nfs/dbraw/zinc/44/38/54/619443854.db2.gz DAYWYPSIGKYFPH-VIFPVBQESA-N -1 3 299.396 1.669 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCSC2)nn1 ZINC000867573798 620296768 /nfs/dbraw/zinc/29/67/68/620296768.db2.gz NPNOQIJUMXSAJY-SNVBAGLBSA-N -1 3 287.410 1.207 10 0 CDAEHM c1[n-][nH]c2ncnc(=NC3C[C@H]4CC[C@@H](C3)S4)c1-2 ZINC000896993457 620335587 /nfs/dbraw/zinc/33/55/87/620335587.db2.gz HKNWLXMBLXZALU-CBLAIPOGSA-N -1 3 261.354 1.565 10 0 CDAEHM CC(=O)c1cccc(N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)n1 ZINC000897346364 620525366 /nfs/dbraw/zinc/52/53/66/620525366.db2.gz TXFPSXORNSDUSP-NSHDSACASA-N -1 3 299.334 1.471 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)C[C@H]2CC(C)(C)CO2)[n-]1 ZINC000897554921 620989520 /nfs/dbraw/zinc/98/95/20/620989520.db2.gz JWAVEBJLMBQYPS-VIFPVBQESA-N -1 3 295.339 1.730 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)C[C@H]2CC(C)(C)CO2)c[n-]1 ZINC000897554921 620989525 /nfs/dbraw/zinc/98/95/25/620989525.db2.gz JWAVEBJLMBQYPS-VIFPVBQESA-N -1 3 295.339 1.730 10 0 CDAEHM CC(C)(C)OC(=O)c1cc(NC(=O)[C@@]2(C)CCCO2)[n-]n1 ZINC000898095878 621332684 /nfs/dbraw/zinc/33/26/84/621332684.db2.gz HHNVWOMLXSAVDF-CQSZACIVSA-N -1 3 295.339 1.873 10 0 CDAEHM CC(C)(C)OC(=O)c1cc(NC(=O)[C@@]2(C)CCCO2)n[n-]1 ZINC000898095878 621332686 /nfs/dbraw/zinc/33/26/86/621332686.db2.gz HHNVWOMLXSAVDF-CQSZACIVSA-N -1 3 295.339 1.873 10 0 CDAEHM O=C(CSC(F)(F)F)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898210733 621365784 /nfs/dbraw/zinc/36/57/84/621365784.db2.gz IPYXDYVMEVHRAY-ZCFIWIBFSA-N -1 3 295.286 1.684 10 0 CDAEHM C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217361 621369427 /nfs/dbraw/zinc/36/94/27/621369427.db2.gz JLDSNXFARZDPNJ-FOGDFJRCSA-N -1 3 291.351 1.437 10 0 CDAEHM C[C@@]1(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)CCCOC1 ZINC000898217659 621371187 /nfs/dbraw/zinc/37/11/87/621371187.db2.gz PDSYGSDTABCCOP-IINYFYTJSA-N -1 3 279.340 1.248 10 0 CDAEHM Cc1cc(C)nc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC000898221131 621373800 /nfs/dbraw/zinc/37/38/00/621373800.db2.gz IIZRXDBGXKFHAI-LLVKDONJSA-N -1 3 286.335 1.757 10 0 CDAEHM O=C(c1c[nH]nc1C1CC1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898221267 621373918 /nfs/dbraw/zinc/37/39/18/621373918.db2.gz LUJBKQCSWNKFPB-SECBINFHSA-N -1 3 287.323 1.346 10 0 CDAEHM CC1(C)CC(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC000898221925 621410207 /nfs/dbraw/zinc/41/02/07/621410207.db2.gz QEPCTODOKPNJEF-SECBINFHSA-N -1 3 263.341 1.867 10 0 CDAEHM CC[C@H](C)N(CC)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000898579443 621798392 /nfs/dbraw/zinc/79/83/92/621798392.db2.gz RLMVZBBRFSZKLJ-VIFPVBQESA-N -1 3 274.328 1.522 10 0 CDAEHM CC[C@H](C)N(CC)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000898579443 621798397 /nfs/dbraw/zinc/79/83/97/621798397.db2.gz RLMVZBBRFSZKLJ-VIFPVBQESA-N -1 3 274.328 1.522 10 0 CDAEHM C[C@@H]1[C@H](C(=O)NCCCc2c[n-][nH]c2=O)[C@H]1c1ccccc1 ZINC000898738740 621857313 /nfs/dbraw/zinc/85/73/13/621857313.db2.gz DCMQDUIBKNYCSL-MHEUCROKSA-N -1 3 299.374 1.664 10 0 CDAEHM COc1cccc(C(=O)NCCCc2c[n-][nH]c2=O)c1F ZINC000898738135 621857471 /nfs/dbraw/zinc/85/74/71/621857471.db2.gz ZVGFBWZOYCAHCN-SECBINFHSA-N -1 3 293.298 1.076 10 0 CDAEHM C[C@]1(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)C[C@H]2C[C@H]2C1 ZINC000899141813 622066791 /nfs/dbraw/zinc/06/67/91/622066791.db2.gz GYLDRSPUZMTNGX-HBYGRHMLSA-N -1 3 298.350 1.428 10 0 CDAEHM C[C@]1(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)C[C@H]2C[C@H]2C1 ZINC000899141813 622066795 /nfs/dbraw/zinc/06/67/95/622066795.db2.gz GYLDRSPUZMTNGX-HBYGRHMLSA-N -1 3 298.350 1.428 10 0 CDAEHM Cc1nc(C)c(CC(=O)NC[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c(=O)[n-]1 ZINC000899415749 622243873 /nfs/dbraw/zinc/24/38/73/622243873.db2.gz VCYXQKFJZKELQD-HIPMNCMDSA-N -1 3 289.379 1.750 10 0 CDAEHM O=C(c1c([O-])cccc1O)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000899627161 622335125 /nfs/dbraw/zinc/33/51/25/622335125.db2.gz GCGIZLZHRGMVMS-GXFFZTMASA-N -1 3 277.320 1.739 10 0 CDAEHM Cc1ncsc1[N-]C(=O)c1nnc(C2CC2)o1 ZINC000901065284 623852563 /nfs/dbraw/zinc/85/25/63/623852563.db2.gz MCLARAPHRIZLCN-UHFFFAOYSA-N -1 3 250.283 1.964 10 0 CDAEHM CC[C@H]1CCC[C@]1(C)C(=O)Nc1nnc(OC)[n-]1 ZINC000901287583 624115917 /nfs/dbraw/zinc/11/59/17/624115917.db2.gz POPOJRXEUQMPKP-UFBFGSQYSA-N -1 3 252.318 1.968 10 0 CDAEHM CC[C@H]1CCC[C@]1(C)C(=O)Nc1n[n-]c(OC)n1 ZINC000901287583 624115922 /nfs/dbraw/zinc/11/59/22/624115922.db2.gz POPOJRXEUQMPKP-UFBFGSQYSA-N -1 3 252.318 1.968 10 0 CDAEHM CC[C@H]1CCC[C@]1(C)C(=O)Nc1nc(OC)n[n-]1 ZINC000901287583 624115928 /nfs/dbraw/zinc/11/59/28/624115928.db2.gz POPOJRXEUQMPKP-UFBFGSQYSA-N -1 3 252.318 1.968 10 0 CDAEHM CC(=O)NCCCCCO[N-]C(=O)CC(C)(C)C ZINC000902419998 624787309 /nfs/dbraw/zinc/78/73/09/624787309.db2.gz OLRRHUBXWMQRRF-UHFFFAOYSA-N -1 3 258.362 1.777 10 0 CDAEHM CCN1CCC[C@H]1CNC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000911095673 629169498 /nfs/dbraw/zinc/16/94/98/629169498.db2.gz GHKWFYMEZDBHAQ-IOCXFXADSA-N -1 3 292.335 1.592 10 0 CDAEHM CC(=O)CC1(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)CCC1 ZINC000911850907 629590081 /nfs/dbraw/zinc/59/00/81/629590081.db2.gz BFIFPHOAZZNUNI-NSHDSACASA-N -1 3 291.351 1.581 10 0 CDAEHM Cc1cncc(C=CC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC000911854591 629592764 /nfs/dbraw/zinc/59/27/64/629592764.db2.gz MFYQUUZOODLYKC-IBUXWKBASA-N -1 3 298.346 1.848 10 0 CDAEHM CC(=Cc1cccnc1)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911856828 629594674 /nfs/dbraw/zinc/59/46/74/629594674.db2.gz XVBSUFXJYUEBQO-HJTPGIPUSA-N -1 3 298.346 1.930 10 0 CDAEHM O=C(C[N-]S(=O)(=O)CC1(F)CC1)Nc1ccccc1 ZINC000914033982 630984460 /nfs/dbraw/zinc/98/44/60/630984460.db2.gz OOQVTUMOZNOUJZ-UHFFFAOYSA-N -1 3 286.328 1.047 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2cc(C(F)F)on2)o1 ZINC000921336650 632937816 /nfs/dbraw/zinc/93/78/16/632937816.db2.gz SBIAPQPWEFAYAS-UHFFFAOYSA-N -1 3 292.263 1.992 10 0 CDAEHM COC[C@H]1C[C@@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC000921354490 632966158 /nfs/dbraw/zinc/96/61/58/632966158.db2.gz MENYZPWJLBRWOC-DTORHVGOSA-N -1 3 260.297 1.113 10 0 CDAEHM 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CC[NH+]1CCC(n2ncc3cc([O-])ccc3c2=O)CC1 ZINC000634602166 356555695 /nfs/dbraw/zinc/55/56/95/356555695.db2.gz ITYXXKKKPQRXGA-UHFFFAOYSA-N -1 3 273.336 1.759 10 0 CDAEHM CCN1CCC(n2ncc3cc([O-])ccc3c2=O)CC1 ZINC000634602166 356555699 /nfs/dbraw/zinc/55/56/99/356555699.db2.gz ITYXXKKKPQRXGA-UHFFFAOYSA-N -1 3 273.336 1.759 10 0 CDAEHM CC(C)(C)OC(=O)c1nn[n-]c1[C@H]1CCCOC1 ZINC000725266352 538457226 /nfs/dbraw/zinc/45/72/26/538457226.db2.gz NAXQUHVAHXUHGR-QMMMGPOBSA-N -1 3 253.302 1.654 10 0 CDAEHM CC(C)(C)OC(=O)c1[n-]nnc1[C@H]1CCCOC1 ZINC000725266352 538457229 /nfs/dbraw/zinc/45/72/29/538457229.db2.gz NAXQUHVAHXUHGR-QMMMGPOBSA-N -1 3 253.302 1.654 10 0 CDAEHM CC(C)(C)OC(=O)c1n[n-]nc1[C@H]1CCCOC1 ZINC000725266352 538457234 /nfs/dbraw/zinc/45/72/34/538457234.db2.gz NAXQUHVAHXUHGR-QMMMGPOBSA-N -1 3 253.302 1.654 10 0 CDAEHM S=c1[n-]c(Cn2cncn2)ncc1Br ZINC000306882218 363536297 /nfs/dbraw/zinc/53/62/97/363536297.db2.gz NEHQULMCDZGBRV-UHFFFAOYSA-N -1 3 272.131 1.541 10 0 CDAEHM 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CC(C)[C@H](CN(C)C)NC(=O)N(CCC(=O)[O-])C1CC1 ZINC000049230693 519814171 /nfs/dbraw/zinc/81/41/71/519814171.db2.gz GIVWZFRKTUECEY-LBPRGKRZSA-N -1 3 285.388 1.221 10 0 CDAEHM CCN(C(=O)NC[C@@H](C)N1CCCCC1)[C@H](C)CC(=O)[O-] ZINC000061214579 519963466 /nfs/dbraw/zinc/96/34/66/519963466.db2.gz XKQGSHCLYWCKBF-CHWSQXEVSA-N -1 3 299.415 1.756 10 0 CDAEHM CCN(C(=O)N[C@H](C)CN1CCCCC1)[C@H](C)CC(=O)[O-] ZINC000061214161 519985911 /nfs/dbraw/zinc/98/59/11/519985911.db2.gz WDJYOXICLALZCF-CHWSQXEVSA-N -1 3 299.415 1.756 10 0 CDAEHM CCO[C@H](CN(CC)Cc1ccncc1)C(=O)[O-] ZINC000062754187 520514048 /nfs/dbraw/zinc/51/40/48/520514048.db2.gz FZKXWKZGEWSXLU-GFCCVEGCSA-N -1 3 252.314 1.393 10 0 CDAEHM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000068689030 520648845 /nfs/dbraw/zinc/64/88/45/520648845.db2.gz LNGQBJGCYXTQER-AVGNSLFASA-N -1 3 294.395 1.430 10 0 CDAEHM CCOc1cccc(CN[C@@H](C)C(=O)[O-])c1OC ZINC000049357064 521369435 /nfs/dbraw/zinc/36/94/35/521369435.db2.gz 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/nfs/dbraw/zinc/48/12/89/523481289.db2.gz HTJFIHJHUDCSOR-JTQLQIEISA-N -1 3 291.355 1.811 10 0 CDAEHM COCCN(C)CCCOc1ccc(C(=O)[O-])cc1 ZINC000062755607 523586707 /nfs/dbraw/zinc/58/67/07/523586707.db2.gz QNRMQFMUOMRVAR-UHFFFAOYSA-N -1 3 267.325 1.732 10 0 CDAEHM COCCN(C)CCNc1nc(C)ccc1C(=O)[O-] ZINC000061401334 523615142 /nfs/dbraw/zinc/61/51/42/523615142.db2.gz DCJMWBCNVNZRQL-UHFFFAOYSA-N -1 3 267.329 1.078 10 0 CDAEHM C[C@@H]1CCC[C@@H](NC(=O)N2CCCN(CC(=O)[O-])CC2)C1 ZINC000061145673 524307412 /nfs/dbraw/zinc/30/74/12/524307412.db2.gz UFMHPSVDKCFUGZ-CHWSQXEVSA-N -1 3 297.399 1.367 10 0 CDAEHM Cc1cc(C)cc(Cc2noc(-c3nc(N)n[n-]3)n2)c1 ZINC000055169994 524400797 /nfs/dbraw/zinc/40/07/97/524400797.db2.gz PXUGFJKRUDMATD-UHFFFAOYSA-N -1 3 270.296 1.645 10 0 CDAEHM Cc1cc(C)cc(Cc2noc(-c3nnc(N)[n-]3)n2)c1 ZINC000055169994 524400811 /nfs/dbraw/zinc/40/08/11/524400811.db2.gz PXUGFJKRUDMATD-UHFFFAOYSA-N -1 3 270.296 1.645 10 0 CDAEHM Cc1cc(C)cc(Cc2noc(-c3n[n-]c(N)n3)n2)c1 ZINC000055169994 524400819 /nfs/dbraw/zinc/40/08/19/524400819.db2.gz PXUGFJKRUDMATD-UHFFFAOYSA-N -1 3 270.296 1.645 10 0 CDAEHM C[C@@H]1CN(CCOc2ccc(CC(=O)[O-])cc2)CCCO1 ZINC000062757235 524959999 /nfs/dbraw/zinc/95/99/99/524959999.db2.gz ZYDXLRCWNDTUAS-CYBMUJFWSA-N -1 3 293.363 1.803 10 0 CDAEHM Cc1ccc(NC(=O)c2nnc(N)[n-]2)c2cccnc12 ZINC000055166397 525257090 /nfs/dbraw/zinc/25/70/90/525257090.db2.gz BCHDPGASISQQOJ-UHFFFAOYSA-N -1 3 268.280 1.496 10 0 CDAEHM Cc1ccc(NC(=O)c2nc(N)n[n-]2)c2cccnc12 ZINC000055166397 525257094 /nfs/dbraw/zinc/25/70/94/525257094.db2.gz BCHDPGASISQQOJ-UHFFFAOYSA-N -1 3 268.280 1.496 10 0 CDAEHM Cc1ccc(NC(=O)c2n[n-]c(N)n2)c2cccnc12 ZINC000055166397 525257100 /nfs/dbraw/zinc/25/71/00/525257100.db2.gz BCHDPGASISQQOJ-UHFFFAOYSA-N -1 3 268.280 1.496 10 0 CDAEHM Cc1cc(NC(=O)c2nnc(N)[n-]2)c2ccccc2n1 ZINC000055164043 525260602 /nfs/dbraw/zinc/26/06/02/525260602.db2.gz HPFQPFYTTDMXNX-UHFFFAOYSA-N -1 3 268.280 1.496 10 0 CDAEHM Cc1cc(NC(=O)c2nc(N)n[n-]2)c2ccccc2n1 ZINC000055164043 525260609 /nfs/dbraw/zinc/26/06/09/525260609.db2.gz HPFQPFYTTDMXNX-UHFFFAOYSA-N -1 3 268.280 1.496 10 0 CDAEHM Cc1cc(NC(=O)c2n[n-]c(N)n2)c2ccccc2n1 ZINC000055164043 525260613 /nfs/dbraw/zinc/26/06/13/525260613.db2.gz HPFQPFYTTDMXNX-UHFFFAOYSA-N -1 3 268.280 1.496 10 0 CDAEHM C[C@@H]1C[C@@H]1[N-]S(=O)(=O)c1cc(N)c(F)cc1F ZINC000052271822 525330631 /nfs/dbraw/zinc/33/06/31/525330631.db2.gz ANAGPCAXGIBPGD-ANLVUFKYSA-N -1 3 262.281 1.234 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000182889111 526769406 /nfs/dbraw/zinc/76/94/06/526769406.db2.gz JXMFFIXJFURHTO-LBPRGKRZSA-N -1 3 286.335 1.536 10 0 CDAEHM CC(=O)N[C@H]1CCCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000177918352 526902290 /nfs/dbraw/zinc/90/22/90/526902290.db2.gz XFTGGIJSSXOXBA-PWSUYJOCSA-N -1 3 278.356 1.152 10 0 CDAEHM NCc1ccc(S(=O)(=O)[N-]Cc2nccs2)s1 ZINC000049539339 527257912 /nfs/dbraw/zinc/25/79/12/527257912.db2.gz PBYQROOEHNODPK-UHFFFAOYSA-N -1 3 289.407 1.142 10 0 CDAEHM O=C(Nc1ccc2c(c1)CNCC2)c1ncccc1[O-] ZINC000069052725 527279705 /nfs/dbraw/zinc/27/97/05/527279705.db2.gz HNYUWMQYZJYFQE-UHFFFAOYSA-N -1 3 269.304 1.685 10 0 CDAEHM NN=c1s[n-]nc1COc1cccc(F)c1F ZINC000062654044 527288204 /nfs/dbraw/zinc/28/82/04/527288204.db2.gz NWGSGHYLFCHWFB-UHFFFAOYSA-N -1 3 258.253 1.681 10 0 CDAEHM Nc1ccc(C(=O)[O-])c(OCCN2CCCC2)c1 ZINC000069515972 527473690 /nfs/dbraw/zinc/47/36/90/527473690.db2.gz AJJNCKFRJQTTNP-UHFFFAOYSA-N -1 3 250.298 1.442 10 0 CDAEHM O=c1ccn(Cc2ccc3c(c2)OCO3)c(=S)[n-]1 ZINC000061675080 527490633 /nfs/dbraw/zinc/49/06/33/527490633.db2.gz DUENCLKMBWVPKI-UHFFFAOYSA-N -1 3 262.290 1.683 10 0 CDAEHM Nc1n[n-]c(-c2nc(Cc3cc(F)cc(F)c3)no2)n1 ZINC000055169951 527541341 /nfs/dbraw/zinc/54/13/41/527541341.db2.gz DXYIFUYWHWWXJA-UHFFFAOYSA-N -1 3 278.222 1.306 10 0 CDAEHM Nc1nnc(-c2nc(Cc3cc(F)cc(F)c3)no2)[n-]1 ZINC000055169951 527541345 /nfs/dbraw/zinc/54/13/45/527541345.db2.gz DXYIFUYWHWWXJA-UHFFFAOYSA-N -1 3 278.222 1.306 10 0 CDAEHM Nc1nc(-c2nc(Cc3cc(F)cc(F)c3)no2)n[n-]1 ZINC000055169951 527541349 /nfs/dbraw/zinc/54/13/49/527541349.db2.gz DXYIFUYWHWWXJA-UHFFFAOYSA-N -1 3 278.222 1.306 10 0 CDAEHM Nc1n[n-]c(-c2nc(Cc3ccccc3F)no2)n1 ZINC000055169952 527542024 /nfs/dbraw/zinc/54/20/24/527542024.db2.gz MJXQGWCGQQIPGK-UHFFFAOYSA-N -1 3 260.232 1.167 10 0 CDAEHM Nc1nnc(-c2nc(Cc3ccccc3F)no2)[n-]1 ZINC000055169952 527542030 /nfs/dbraw/zinc/54/20/30/527542030.db2.gz MJXQGWCGQQIPGK-UHFFFAOYSA-N -1 3 260.232 1.167 10 0 CDAEHM Nc1nc(-c2nc(Cc3ccccc3F)no2)n[n-]1 ZINC000055169952 527542035 /nfs/dbraw/zinc/54/20/35/527542035.db2.gz MJXQGWCGQQIPGK-UHFFFAOYSA-N -1 3 260.232 1.167 10 0 CDAEHM O=C([O-])/C=C/c1cc(F)ccc1CN1CC[C@H](O)C1 ZINC000061711545 527543957 /nfs/dbraw/zinc/54/39/57/527543957.db2.gz OIBJQZRNIZBKBB-OHVSUOQFSA-N -1 3 265.284 1.490 10 0 CDAEHM CCOC(=O)[C@@H]1CCC([O-])=C(C(=O)C(F)(F)F)C1 ZINC000100443531 527815614 /nfs/dbraw/zinc/81/56/14/527815614.db2.gz GRCQBCQNPYZWLS-RNFRBKRXSA-N -1 3 266.215 1.666 10 0 CDAEHM CC(C)[C@H]1CCN(C(=O)CNC(=O)c2cccc([O-])c2)C1 ZINC000427138651 535192837 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MMMQVZQWCNNNPI-SECBINFHSA-N -1 3 292.339 1.429 10 0 CDAEHM COC(=O)Cc1nc(NC(=O)[C@@H]2CCCC3(CC3)C2)n[n-]1 ZINC000597267323 343492974 /nfs/dbraw/zinc/49/29/74/343492974.db2.gz MMMQVZQWCNNNPI-SECBINFHSA-N -1 3 292.339 1.429 10 0 CDAEHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)Cn1cncn1 ZINC000274703456 365773391 /nfs/dbraw/zinc/77/33/91/365773391.db2.gz VMGFDAURWOLTDP-JTQLQIEISA-N -1 3 298.343 1.093 10 0 CDAEHM COc1nnc(NC(=O)[C@H](C)OCCc2ccccc2)[n-]1 ZINC000295066016 199328123 /nfs/dbraw/zinc/32/81/23/199328123.db2.gz ZNEKZLMTDCJGBQ-JTQLQIEISA-N -1 3 290.323 1.400 10 0 CDAEHM COc1nc(NC(=O)[C@H](C)OCCc2ccccc2)n[n-]1 ZINC000295066016 199328125 /nfs/dbraw/zinc/32/81/25/199328125.db2.gz ZNEKZLMTDCJGBQ-JTQLQIEISA-N -1 3 290.323 1.400 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H](C)OCCc2ccccc2)n1 ZINC000295066016 199328126 /nfs/dbraw/zinc/32/81/26/199328126.db2.gz ZNEKZLMTDCJGBQ-JTQLQIEISA-N -1 3 290.323 1.400 10 0 CDAEHM COc1cccc(C(=O)NCCOC[C@H]2CCOC2)c1[O-] ZINC000599113157 343961424 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ZINC000617301682 345137515 /nfs/dbraw/zinc/13/75/15/345137515.db2.gz ZAQICLWRAQTNAB-LBPRGKRZSA-N -1 3 265.309 1.292 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2COc3cc(F)ccc3C2)n[n-]1 ZINC000626333336 345260459 /nfs/dbraw/zinc/26/04/59/345260459.db2.gz LQNGFAGUHBXLRB-QMMMGPOBSA-N -1 3 292.270 1.142 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2COc3cc(F)ccc3C2)[n-]1 ZINC000626333336 345260461 /nfs/dbraw/zinc/26/04/61/345260461.db2.gz LQNGFAGUHBXLRB-QMMMGPOBSA-N -1 3 292.270 1.142 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2COc3cc(F)ccc3C2)n1 ZINC000626333336 345260463 /nfs/dbraw/zinc/26/04/63/345260463.db2.gz LQNGFAGUHBXLRB-QMMMGPOBSA-N -1 3 292.270 1.142 10 0 CDAEHM CCN=c1[n-]c(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)cs1 ZINC000617424144 345529193 /nfs/dbraw/zinc/52/91/93/345529193.db2.gz YWJBFDJYWPKMTB-HTQZYQBOSA-N -1 3 292.368 1.024 10 0 CDAEHM CCc1cc(=NC(=O)NCCCCn2ccnc2C)[n-]o1 ZINC000608315566 345655198 /nfs/dbraw/zinc/65/51/98/345655198.db2.gz KUAADWLBFLMUKC-UHFFFAOYSA-N -1 3 291.355 1.766 10 0 CDAEHM COc1cc(=NC(=O)NC[C@H]2CCCC23CC3)[n-]n1C ZINC000626510317 346185152 /nfs/dbraw/zinc/18/51/52/346185152.db2.gz XCCLAMAEFJMFFE-SNVBAGLBSA-N -1 3 278.356 1.552 10 0 CDAEHM CCCN(CCN(C)C)C(=O)N[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000085341368 179025779 /nfs/dbraw/zinc/02/57/79/179025779.db2.gz UZKNWDNMTIOKJP-CHWSQXEVSA-N -1 3 299.415 1.613 10 0 CDAEHM C[C@@H](CN1CCCC1)NC(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000085338314 179025047 /nfs/dbraw/zinc/02/50/47/179025047.db2.gz GIDGMLILOKJXRM-RWMBFGLXSA-N -1 3 297.399 1.413 10 0 CDAEHM N[C@@H](CC(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000085324415 179017307 /nfs/dbraw/zinc/01/73/07/179017307.db2.gz FCALSUWORMDDQX-MELADBBJSA-N -1 3 290.363 1.836 10 0 CDAEHM CN(C(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-])[C@H]1CCCN(C)C1 ZINC000085342011 179026772 /nfs/dbraw/zinc/02/67/72/179026772.db2.gz UOBVZIRYRSKSPF-RWMBFGLXSA-N -1 3 297.399 1.365 10 0 CDAEHM O=c1[nH]cc(S(=O)(=O)[N-]c2cccc(O)c2F)s1 ZINC000571622622 362707645 /nfs/dbraw/zinc/70/76/45/362707645.db2.gz RLWXRWYBDMFJMR-UHFFFAOYSA-N -1 3 290.297 1.494 10 0 CDAEHM Cc1cc(-c2nc(C)c(CCO)c(=O)[n-]2)ccc1F ZINC000085403971 179053941 /nfs/dbraw/zinc/05/39/41/179053941.db2.gz ZMPWYNYFDIDSRL-UHFFFAOYSA-N -1 3 262.284 1.728 10 0 CDAEHM CCc1cccc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)c1[O-] ZINC000584760221 346425774 /nfs/dbraw/zinc/42/57/74/346425774.db2.gz QPGQQWCTOZCVOG-MRXNPFEDSA-N -1 3 288.347 1.307 10 0 CDAEHM CC(C)[C@H](O)[C@H](NC(=O)c1c[n-]nn1)c1ccccc1 ZINC000619912377 349963248 /nfs/dbraw/zinc/96/32/48/349963248.db2.gz UWYHZCZZUDNKKD-OLZOCXBDSA-N -1 3 274.324 1.293 10 0 CDAEHM CC(C)[C@H](O)[C@H](NC(=O)c1cnn[n-]1)c1ccccc1 ZINC000619912377 349963249 /nfs/dbraw/zinc/96/32/49/349963249.db2.gz UWYHZCZZUDNKKD-OLZOCXBDSA-N -1 3 274.324 1.293 10 0 CDAEHM CC(C)[C@H](O)[C@H](NC(=O)c1cn[n-]n1)c1ccccc1 ZINC000619912377 349963250 /nfs/dbraw/zinc/96/32/50/349963250.db2.gz UWYHZCZZUDNKKD-OLZOCXBDSA-N -1 3 274.324 1.293 10 0 CDAEHM CC[C@@H](C)c1ccc(NC(=O)[C@@H](N)CC(=O)[O-])cc1 ZINC000085812868 179178234 /nfs/dbraw/zinc/17/82/34/179178234.db2.gz AWAAKEKFYBXMPB-SKDRFNHKSA-N -1 3 264.325 1.941 10 0 CDAEHM N[C@H](CCC(=O)[O-])C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000085819059 179182254 /nfs/dbraw/zinc/18/22/54/179182254.db2.gz YLLLEMIGPNEIHK-TUAOUCFPSA-N -1 3 268.357 1.360 10 0 CDAEHM CC(=O)Nc1cc(NC(=O)[C@H](N)CCC(=O)[O-])ccc1C ZINC000085819906 179183247 /nfs/dbraw/zinc/18/32/47/179183247.db2.gz YTFCWHCNDXJOTN-LLVKDONJSA-N -1 3 293.323 1.084 10 0 CDAEHM COc1ccc(NC(=O)[C@@H](N)CCC(=O)[O-])cc1C ZINC000085843057 179185678 /nfs/dbraw/zinc/18/56/78/179185678.db2.gz BCLIEZIZCJAFSI-JTQLQIEISA-N -1 3 266.297 1.134 10 0 CDAEHM C[C@H](CCNC(=O)[C@H](N)CCC(=O)[O-])c1ccccc1 ZINC000085844606 179186325 /nfs/dbraw/zinc/18/63/25/179186325.db2.gz PBKPIGHEOLZNJM-DGCLKSJQSA-N -1 3 278.352 1.489 10 0 CDAEHM CC(C)Oc1ccccc1[C@@H](C)NC(=O)[C@H](N)CC(=O)[O-] ZINC000085814837 179179164 /nfs/dbraw/zinc/17/91/64/179179164.db2.gz DCEPOBXCLABKII-ZYHUDNBSSA-N -1 3 294.351 1.453 10 0 CDAEHM CCC[C@H]1CCCN(C(=O)[C@H](N)CC(=O)[O-])CC1 ZINC000085818269 179181003 /nfs/dbraw/zinc/18/10/03/179181003.db2.gz XRKKSTXSQKHZCS-WDEREUQCSA-N -1 3 256.346 1.217 10 0 CDAEHM CSc1ccc([O-])c(C(=O)NCC[C@@H](C)O)c1 ZINC000612576956 347213240 /nfs/dbraw/zinc/21/32/40/347213240.db2.gz CDARUTIGAOXZSF-MRVPVSSYSA-N -1 3 255.339 1.615 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H](C)c2ccccc2)c1 ZINC000352068897 362824626 /nfs/dbraw/zinc/82/46/26/362824626.db2.gz UFRBFYUQJMVCHT-GFCCVEGCSA-N -1 3 293.392 1.985 10 0 CDAEHM COC(=O)C(C)(C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000053475860 347741921 /nfs/dbraw/zinc/74/19/21/347741921.db2.gz NYVCUPAQQXBIME-UHFFFAOYSA-N -1 3 288.303 1.210 10 0 CDAEHM O=C(NCCc1ccccn1)c1cc(=O)c2ccccc2[n-]1 ZINC000054104181 347814608 /nfs/dbraw/zinc/81/46/08/347814608.db2.gz AHYWQQVQHWMZLQ-UHFFFAOYSA-N -1 3 293.326 1.896 10 0 CDAEHM COc1ccc(NC(=O)c2cnc3n2CCOC3)c([O-])c1 ZINC000613832913 347918152 /nfs/dbraw/zinc/91/81/52/347918152.db2.gz OJIRKSZILITKPI-UHFFFAOYSA-N -1 3 289.291 1.380 10 0 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392592146 /nfs/dbraw/zinc/59/21/46/392592146.db2.gz WNCFSPBXIWAOQY-UHFFFAOYSA-N -1 3 282.687 1.484 10 0 CDAEHM CCN(CCO)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646649880 392614000 /nfs/dbraw/zinc/61/40/00/392614000.db2.gz AKFZZZICLXHGHS-UHFFFAOYSA-N -1 3 277.242 1.865 10 0 CDAEHM CS[C@@H](C)CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000128703411 392724618 /nfs/dbraw/zinc/72/46/18/392724618.db2.gz PVNYVMKFHZDSEH-VIFPVBQESA-N -1 3 291.380 1.871 10 0 CDAEHM CS[C@@H](C)CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000128703411 392724620 /nfs/dbraw/zinc/72/46/20/392724620.db2.gz PVNYVMKFHZDSEH-VIFPVBQESA-N -1 3 291.380 1.871 10 0 CDAEHM CSc1nnc(NC(=O)C[C@H](C)n2cccc2)[n-]1 ZINC000517100842 392834647 /nfs/dbraw/zinc/83/46/47/392834647.db2.gz QXCDNEGRGSNLHE-QMMMGPOBSA-N -1 3 265.342 1.918 10 0 CDAEHM CSc1n[n-]c(NC(=O)C[C@H](C)n2cccc2)n1 ZINC000517100842 392834652 /nfs/dbraw/zinc/83/46/52/392834652.db2.gz QXCDNEGRGSNLHE-QMMMGPOBSA-N -1 3 265.342 1.918 10 0 CDAEHM CSc1nc(NC(=O)C[C@H](C)n2cccc2)n[n-]1 ZINC000517100842 392834660 /nfs/dbraw/zinc/83/46/60/392834660.db2.gz QXCDNEGRGSNLHE-QMMMGPOBSA-N -1 3 265.342 1.918 10 0 CDAEHM C[C@@H]1C(=O)N(C)CN1C(=O)c1cc([O-])ccc1Cl ZINC000649158521 392890816 /nfs/dbraw/zinc/89/08/16/392890816.db2.gz VJNRXMOKBJGXHT-SSDOTTSWSA-N -1 3 268.700 1.306 10 0 CDAEHM OCC1(N=c2cc(-c3ccccc3)n3[n-]cnc3n2)CCC1 ZINC000631170933 392931013 /nfs/dbraw/zinc/93/10/13/392931013.db2.gz SJEJDZCADVIBAF-UHFFFAOYSA-N -1 3 295.346 1.540 10 0 CDAEHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000132484843 393108479 /nfs/dbraw/zinc/10/84/79/393108479.db2.gz ISULRRQQKSXBRW-SRVKXCTJSA-N -1 3 295.383 1.306 10 0 CDAEHM CCn1nncc1C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649229249 393120688 /nfs/dbraw/zinc/12/06/88/393120688.db2.gz SWDCNPZHBXNIHL-UHFFFAOYSA-N -1 3 262.317 1.127 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccsn1 ZINC000649229125 393121044 /nfs/dbraw/zinc/12/10/44/393121044.db2.gz NVQJVZIKCKHJFV-UHFFFAOYSA-N -1 3 250.327 1.972 10 0 CDAEHM 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/nfs/dbraw/zinc/28/19/18/148281918.db2.gz SZQFIYQIYQWXQU-UHFFFAOYSA-N -1 3 299.290 1.628 10 0 CDAEHM Cc1noc(CC[N-]S(=O)(=O)c2c(C)cccc2F)n1 ZINC000184273873 148342542 /nfs/dbraw/zinc/34/25/42/148342542.db2.gz DQQWOWPSFIFASF-UHFFFAOYSA-N -1 3 299.327 1.347 10 0 CDAEHM O=C(CSc1ccc(O)cc1)NCc1ncccc1[O-] ZINC000352517545 155242645 /nfs/dbraw/zinc/24/26/45/155242645.db2.gz QJEDXDYAWCCBOM-UHFFFAOYSA-N -1 3 290.344 1.901 10 0 CDAEHM COc1cccc(C(=O)NCc2ncccc2[O-])c1F ZINC000352518049 155244878 /nfs/dbraw/zinc/24/48/78/155244878.db2.gz UZQIEBBWMOEUGR-UHFFFAOYSA-N -1 3 276.267 1.865 10 0 CDAEHM O=S(=O)([N-]C1CCC1)c1cccnc1C(F)(F)F ZINC000334901477 150053953 /nfs/dbraw/zinc/05/39/53/150053953.db2.gz LSNXEHQUYMQLAN-UHFFFAOYSA-N -1 3 280.271 1.931 10 0 CDAEHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@@](C)(O)C2)sc1Cl ZINC000334903523 150056680 /nfs/dbraw/zinc/05/66/80/150056680.db2.gz YDXCRQRPPPCLCN-WKFQBHICSA-N -1 3 295.813 1.902 10 0 CDAEHM CCn1nccc1S(=O)(=O)[N-]c1c(F)cccc1F ZINC000336225717 151373670 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ZINC000040349996 174244440 /nfs/dbraw/zinc/24/44/40/174244440.db2.gz BJGSQYSZIHFONW-UHFFFAOYSA-N -1 3 252.339 1.495 10 0 CDAEHM CCC(CC)(NC(=O)c1ccccc1[O-])C(N)=S ZINC000040359603 174246057 /nfs/dbraw/zinc/24/60/57/174246057.db2.gz ZBCIVWPHDKNARG-UHFFFAOYSA-N -1 3 266.366 1.967 10 0 CDAEHM CCCC[C@@H](N)C(=O)NCCCCCCC(=O)[O-] ZINC000040479840 174284390 /nfs/dbraw/zinc/28/43/90/174284390.db2.gz FTRSYSBXRIVXCB-LLVKDONJSA-N -1 3 258.362 1.655 10 0 CDAEHM CC(C)N(CCC(=O)[O-])C(=O)[C@@H](N)Cc1ccccc1 ZINC000040484293 174288304 /nfs/dbraw/zinc/28/83/04/174288304.db2.gz FUKWPIDIVNCMQI-ZDUSSCGKSA-N -1 3 278.352 1.268 10 0 CDAEHM CC(C)[C@@H](N)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000040486650 174289240 /nfs/dbraw/zinc/28/92/40/174289240.db2.gz AHZXSQZLMIZGCP-MNOVXSKESA-N -1 3 256.346 1.119 10 0 CDAEHM CN(C)CCNC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000040530455 174316628 /nfs/dbraw/zinc/31/66/28/174316628.db2.gz QMBIQWBJYFTTEI-UHFFFAOYSA-N -1 3 251.286 1.068 10 0 CDAEHM CN(C)CCNC(=O)N(CCCC(=O)[O-])c1ccccc1 ZINC000040530515 174316806 /nfs/dbraw/zinc/31/68/06/174316806.db2.gz UXFFXKBIQUJDQX-UHFFFAOYSA-N -1 3 293.367 1.629 10 0 CDAEHM CC[C@@H](C)[C@H](NC(=O)NC[C@@H]1CCCN1CC)C(=O)[O-] ZINC000040552817 174329437 /nfs/dbraw/zinc/32/94/37/174329437.db2.gz MXAHWBBYWZSHJU-WOPDTQHZSA-N -1 3 285.388 1.269 10 0 CDAEHM CN1CCC[C@@H](NC(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC000040716385 174383218 /nfs/dbraw/zinc/38/32/18/174383218.db2.gz PRIIEMACWJIYQV-LLVKDONJSA-N -1 3 283.372 1.167 10 0 CDAEHM COc1ccc([O-])c(C(=O)NC2(C(N)=S)CCCC2)c1 ZINC000043327845 175009219 /nfs/dbraw/zinc/00/92/19/175009219.db2.gz ODMJJXMQKKVHKO-UHFFFAOYSA-N -1 3 294.376 1.730 10 0 CDAEHM COc1ccc([O-])c(C(=O)N(CCC(N)=S)C2CC2)c1 ZINC000043327856 175009405 /nfs/dbraw/zinc/00/94/05/175009405.db2.gz DBVXAXJJVNXYNA-UHFFFAOYSA-N -1 3 294.376 1.682 10 0 CDAEHM COc1ccc([O-])c(C(=O)N(CCC(N)=S)C(C)C)c1 ZINC000043327855 175009688 /nfs/dbraw/zinc/00/96/88/175009688.db2.gz GRINIAWFENHDSC-UHFFFAOYSA-N -1 3 296.392 1.928 10 0 CDAEHM COc1nc(N(C)C)sc1CN[C@H](C(=O)[O-])C(C)C ZINC000043430763 175043059 /nfs/dbraw/zinc/04/30/59/175043059.db2.gz OUZDGFCHJIOMNR-VIFPVBQESA-N -1 3 287.385 1.417 10 0 CDAEHM Cc1nc(C)c([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)[O-])c(=O)[n-]1 ZINC000043434304 175044432 /nfs/dbraw/zinc/04/44/32/175044432.db2.gz RTFSRJSFQGUIRP-ONGXEEELSA-N -1 3 281.356 1.537 10 0 CDAEHM CC(C)CN[C@H](C(N)=O)c1ccc([O-])c(Cl)c1 ZINC000043489222 175056599 /nfs/dbraw/zinc/05/65/99/175056599.db2.gz SLGQWHSNGKSLFY-NSHDSACASA-N -1 3 256.733 1.818 10 0 CDAEHM Cc1cc(=O)n(CCN2CCCCC2)c(C)c1C(=O)[O-] ZINC000043673657 175087794 /nfs/dbraw/zinc/08/77/94/175087794.db2.gz AHOHITLELSPMIT-UHFFFAOYSA-N -1 3 278.352 1.649 10 0 CDAEHM CCNCC(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000044651655 175225009 /nfs/dbraw/zinc/22/50/09/175225009.db2.gz FMXOALSLTWCNOS-UHFFFAOYSA-N -1 3 256.346 1.137 10 0 CDAEHM CC[C@H](C)NC(=O)CCNC(=O)c1ccc([O-])cc1 ZINC000045010745 175290184 /nfs/dbraw/zinc/29/01/84/175290184.db2.gz LDQZSVMSGWFJDG-JTQLQIEISA-N -1 3 264.325 1.427 10 0 CDAEHM CC(C)N(CCC(=O)[O-])C(=O)NC[C@H](C)N1CCCCC1 ZINC000045013323 175290288 /nfs/dbraw/zinc/29/02/88/175290288.db2.gz WKGDELRMTCYCIS-ZDUSSCGKSA-N -1 3 299.415 1.756 10 0 CDAEHM C[C@@H](CNC(=O)N[C@@](C)(C(=O)[O-])C1CC1)N1CCCCC1 ZINC000045013399 175290456 /nfs/dbraw/zinc/29/04/56/175290456.db2.gz BZNSTRXDAWCWMF-XHDPSFHLSA-N -1 3 297.399 1.413 10 0 CDAEHM C[C@@H](CNC(=O)N1c2ccccc2C[C@H]1C(=O)[O-])N(C)C ZINC000045111671 175310770 /nfs/dbraw/zinc/31/07/70/175310770.db2.gz QPZNMTZAOCHLCJ-GWCFXTLKSA-N -1 3 291.351 1.162 10 0 CDAEHM N[C@H](C(=O)[O-])c1cc(Br)ccc1CO ZINC000072196760 176338659 /nfs/dbraw/zinc/33/86/59/176338659.db2.gz PVMCZJDJEBLPNY-QMMMGPOBSA-N -1 3 260.087 1.026 10 0 CDAEHM CC[C@@H](C)[C@H](N)C(=O)NCC[C@@H](C)CCC(=O)[O-] ZINC000079063687 177425326 /nfs/dbraw/zinc/42/53/26/177425326.db2.gz KLQSXWSNGHDQLN-UMNHJUIQSA-N -1 3 258.362 1.367 10 0 CDAEHM CCC[C@H](CCNC(=O)[C@@H](N)C(C)C)CCC(=O)[O-] ZINC000079231419 177451947 /nfs/dbraw/zinc/45/19/47/177451947.db2.gz VLAJHYULYAXFEB-AAEUAGOBSA-N -1 3 272.389 1.757 10 0 CDAEHM CCc1cccc(C(=O)NC[C@@](C)(CO)OC)c1[O-] ZINC000655218387 423888217 /nfs/dbraw/zinc/88/82/17/423888217.db2.gz ZZLAXZUUPNEYEG-AWEZNQCLSA-N -1 3 267.325 1.082 10 0 CDAEHM C[C@H]1CC[C@H](C)N1CC(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000653318070 424566538 /nfs/dbraw/zinc/56/65/38/424566538.db2.gz VKGILUUAJZGSIN-BJDJZHNGSA-N -1 3 268.357 1.323 10 0 CDAEHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2C[C@@H]2C)c([O-])c1 ZINC000171187678 270243853 /nfs/dbraw/zinc/24/38/53/270243853.db2.gz CLPYKRAFUAXNBB-JQWIXIFHSA-N -1 3 276.336 1.345 10 0 CDAEHM CCc1cc(CNC(=O)NCc2ncccc2[O-])on1 ZINC000525917522 270624189 /nfs/dbraw/zinc/62/41/89/270624189.db2.gz OIPSSJOBNZQGBL-UHFFFAOYSA-N -1 3 276.296 1.337 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)Cc1cncc([O-])c1 ZINC000529975130 271082617 /nfs/dbraw/zinc/08/26/17/271082617.db2.gz IIAUQWWKSWRVQV-RZGXBDKHSA-N -1 3 264.325 1.258 10 0 CDAEHM CO[C@@H]1CCN(Cc2cc(CO)ccc2F)[C@@H](C(=O)[O-])C1 ZINC000530165981 271122157 /nfs/dbraw/zinc/12/21/57/271122157.db2.gz LYYVIAXGLYYEDB-TZMCWYRMSA-N -1 3 297.326 1.382 10 0 CDAEHM COc1cc(=NC(=O)COC2CCC(C)CC2)[n-]n1C ZINC000530296965 271198695 /nfs/dbraw/zinc/19/86/95/271198695.db2.gz PPMJRBJZSHSLGJ-UHFFFAOYSA-N -1 3 281.356 1.384 10 0 CDAEHM CC(C)[C@H]1OCC[C@H]1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000408064534 277980177 /nfs/dbraw/zinc/98/01/77/277980177.db2.gz WTSXBUKVHXHKCI-DGCLKSJQSA-N -1 3 291.351 1.128 10 0 CDAEHM COc1nnc(NC(=O)c2cc(C(C)(C)C)[nH]n2)[n-]1 ZINC000179360071 278085704 /nfs/dbraw/zinc/08/57/04/278085704.db2.gz JGUTWWKBFZOVGR-UHFFFAOYSA-N -1 3 264.289 1.086 10 0 CDAEHM COc1nc(NC(=O)c2cc(C(C)(C)C)[nH]n2)n[n-]1 ZINC000179360071 278085706 /nfs/dbraw/zinc/08/57/06/278085706.db2.gz JGUTWWKBFZOVGR-UHFFFAOYSA-N -1 3 264.289 1.086 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cc(C(C)(C)C)[nH]n2)n1 ZINC000179360071 278085707 /nfs/dbraw/zinc/08/57/07/278085707.db2.gz JGUTWWKBFZOVGR-UHFFFAOYSA-N -1 3 264.289 1.086 10 0 CDAEHM CC(C)(C)N=c1[n-]nc([C@@H]2CCOC2)n1C[C@@H]1CCCO1 ZINC000329826069 278355780 /nfs/dbraw/zinc/35/57/80/278355780.db2.gz RCBWYYXTKYAFLS-NEPJUHHUSA-N -1 3 294.399 1.593 10 0 CDAEHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccco2)[C@H]2CCO[C@H]21 ZINC000249254339 278445699 /nfs/dbraw/zinc/44/56/99/278445699.db2.gz GDEAMOPVPBOHFW-FBIMIBRVSA-N -1 3 271.338 1.371 10 0 CDAEHM CC(C)C[C@@H](CNC(=O)N1CC[C@@H](N(C)C)C1)C(=O)[O-] ZINC000094706009 278986138 /nfs/dbraw/zinc/98/61/38/278986138.db2.gz PREPENRYNLMNRY-NWDGAFQWSA-N -1 3 285.388 1.079 10 0 CDAEHM COC(=O)CCCCNC(=O)c1ccc(OC)cc1[O-] ZINC000049297870 279172135 /nfs/dbraw/zinc/17/21/35/279172135.db2.gz UHULLDJFKRAGEH-UHFFFAOYSA-N -1 3 281.308 1.474 10 0 CDAEHM C[C@H](Cc1ccc(O)cc1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC000092619134 279290451 /nfs/dbraw/zinc/29/04/51/279290451.db2.gz MYCFADRLDZGNMP-SECBINFHSA-N -1 3 262.313 1.279 10 0 CDAEHM C[C@H]1OCC[C@H]1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000281918786 280066343 /nfs/dbraw/zinc/06/63/43/280066343.db2.gz BITIWISNASMTIK-HZGVNTEJSA-N -1 3 264.260 1.004 10 0 CDAEHM C[C@H]1OCC[C@H]1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000281918786 280066347 /nfs/dbraw/zinc/06/63/47/280066347.db2.gz BITIWISNASMTIK-HZGVNTEJSA-N -1 3 264.260 1.004 10 0 CDAEHM C[C@H]1OCC[C@H]1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000281918786 280066348 /nfs/dbraw/zinc/06/63/48/280066348.db2.gz BITIWISNASMTIK-HZGVNTEJSA-N -1 3 264.260 1.004 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2Cc2ncccc2Cl)nc1=N ZINC000528485236 281242801 /nfs/dbraw/zinc/24/28/01/281242801.db2.gz AMIXXXRVRQFWNV-LLVKDONJSA-N -1 3 292.774 1.613 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000529976586 281404343 /nfs/dbraw/zinc/40/43/43/281404343.db2.gz HPKYDLHWKIIORU-XZMZPDFPSA-N -1 3 256.327 1.390 10 0 CDAEHM Cc1cscc1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000338824412 281761311 /nfs/dbraw/zinc/76/13/11/281761311.db2.gz NWJGHRPDGGSPDU-UHFFFAOYSA-N -1 3 278.337 1.870 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000540959578 289474971 /nfs/dbraw/zinc/47/49/71/289474971.db2.gz FVADHUNWIBKICZ-NWDGAFQWSA-N -1 3 291.347 1.987 10 0 CDAEHM CCc1cccc(C(=O)N2CCN3CCOC[C@H]3C2)c1[O-] ZINC000544589713 289646083 /nfs/dbraw/zinc/64/60/83/289646083.db2.gz UMLAYIXDJWNBIH-CYBMUJFWSA-N -1 3 290.363 1.111 10 0 CDAEHM CCCC(O)(CCC)CC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000547816688 289811839 /nfs/dbraw/zinc/81/18/39/289811839.db2.gz PHZNYLQKTYYBOI-UHFFFAOYSA-N -1 3 283.372 1.511 10 0 CDAEHM CCC[C@H]1C[C@@H](C(=O)N=c2cc(OC)n(C)[n-]2)CCO1 ZINC000548471670 289891555 /nfs/dbraw/zinc/89/15/55/289891555.db2.gz XTUKTBPIJPTYMA-QWRGUYRKSA-N -1 3 281.356 1.384 10 0 CDAEHM COc1cc(=NC(=O)NCCC2CCCC2)[n-]n1C ZINC000548495135 289895424 /nfs/dbraw/zinc/89/54/24/289895424.db2.gz UMNYCLYAMAWOBQ-UHFFFAOYSA-N -1 3 266.345 1.552 10 0 CDAEHM Cc1cc(CS(=O)(=O)[N-]Cc2ncccc2F)no1 ZINC000551209306 290002187 /nfs/dbraw/zinc/00/21/87/290002187.db2.gz QFIUFZLQAMPNDW-UHFFFAOYSA-N -1 3 285.300 1.137 10 0 CDAEHM COc1cc(=NC(=O)c2nc(C(C)C)oc2C)[n-]n1C ZINC000552169637 290056031 /nfs/dbraw/zinc/05/60/31/290056031.db2.gz AIEHYDJOAYBSJR-UHFFFAOYSA-N -1 3 278.312 1.523 10 0 CDAEHM Cc1cnc(COCC(=O)[N-]c2onc(C)c2C)o1 ZINC000554588326 290179158 /nfs/dbraw/zinc/17/91/58/290179158.db2.gz PQPOIENCWHMZEI-UHFFFAOYSA-N -1 3 265.269 1.743 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2C(=O)Cc2cccs2)nc1=N ZINC000555533094 290223151 /nfs/dbraw/zinc/22/31/51/290223151.db2.gz GAWFWVHKVFFIDG-SNVBAGLBSA-N -1 3 291.380 1.195 10 0 CDAEHM O=C(Nc1ncccc1[O-])c1cn(CC2CC2)nn1 ZINC000556152251 290255374 /nfs/dbraw/zinc/25/53/74/290255374.db2.gz VGQZIBYUGZZLTJ-UHFFFAOYSA-N -1 3 259.269 1.041 10 0 CDAEHM CCn1c([N-]S(=O)(=O)CCC2CC2)nc2cccnc21 ZINC000556263148 290261533 /nfs/dbraw/zinc/26/15/33/290261533.db2.gz HOZPWLBKVJCNOR-UHFFFAOYSA-N -1 3 294.380 1.993 10 0 CDAEHM C[C@@]1(C[N-]S(=O)(=O)C[C@@H]2CCCC2(F)F)CCCO1 ZINC000556307217 290263091 /nfs/dbraw/zinc/26/30/91/290263091.db2.gz SNKFIICRSVJYFB-QWRGUYRKSA-N -1 3 297.367 1.910 10 0 CDAEHM CC(C)OCCCC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000558400489 290390219 /nfs/dbraw/zinc/39/02/19/290390219.db2.gz CHDZFRHGRGOLFY-LLVKDONJSA-N 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NZYATNOBLZZKAT-GXFFZTMASA-N -1 3 289.372 1.823 10 0 CDAEHM CC1(C)CN(CC(=O)Nc2ccc([O-])cc2F)C1 ZINC000565547959 293634958 /nfs/dbraw/zinc/63/49/58/293634958.db2.gz FBMVOSUDKSJCTE-UHFFFAOYSA-N -1 3 252.289 1.812 10 0 CDAEHM O=c1cc(CN2CCN(C3CC3)CC2)nc(C2CC2)[n-]1 ZINC000565701336 293663724 /nfs/dbraw/zinc/66/37/24/293663724.db2.gz FANKSUQKAAXHQX-UHFFFAOYSA-N -1 3 274.368 1.340 10 0 CDAEHM COc1ccccc1[C@@H]1CCN(CCOCC(=O)[O-])C1 ZINC000568638572 294074533 /nfs/dbraw/zinc/07/45/33/294074533.db2.gz BFZJBMFEBABPMM-GFCCVEGCSA-N -1 3 279.336 1.586 10 0 CDAEHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC[C@@H]1C1CC1 ZINC000569018851 294144483 /nfs/dbraw/zinc/14/44/83/294144483.db2.gz DTAQMFUSYNZJLI-LLVKDONJSA-N -1 3 259.309 1.684 10 0 CDAEHM CC[C@@H](C)C[C@H](NC(=O)c1ccc(O)cc1[O-])C(=O)OC ZINC000570399955 294232014 /nfs/dbraw/zinc/23/20/14/294232014.db2.gz WTGOYNJTPMSEGA-SKDRFNHKSA-N -1 3 295.335 1.805 10 0 CDAEHM COc1nc(NC(=O)[C@H]2CCc3ccccc3O2)n[n-]1 ZINC000571026374 294353023 /nfs/dbraw/zinc/35/30/23/294353023.db2.gz FXZSEZQHSNRHDR-SNVBAGLBSA-N -1 3 274.280 1.146 10 0 CDAEHM COc1nnc(NC(=O)[C@H]2CCc3ccccc3O2)[n-]1 ZINC000571026374 294353025 /nfs/dbraw/zinc/35/30/25/294353025.db2.gz FXZSEZQHSNRHDR-SNVBAGLBSA-N -1 3 274.280 1.146 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H]2CCc3ccccc3O2)n1 ZINC000571026374 294353026 /nfs/dbraw/zinc/35/30/26/294353026.db2.gz FXZSEZQHSNRHDR-SNVBAGLBSA-N -1 3 274.280 1.146 10 0 CDAEHM COc1cc(=NC(=O)[C@@H](c2cccnc2)C(C)C)[n-]n1C ZINC000572232939 294580665 /nfs/dbraw/zinc/58/06/65/294580665.db2.gz STRHRNDKVKGNRJ-CQSZACIVSA-N -1 3 288.351 1.624 10 0 CDAEHM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1cscn1 ZINC000574753081 295048929 /nfs/dbraw/zinc/04/89/29/295048929.db2.gz DRAAWDRXBUAFIO-SECBINFHSA-N -1 3 283.378 1.448 10 0 CDAEHM C[C@H]1CCN(S(=O)(=O)[N-]c2cn(C)nc2C2CC2)C1 ZINC000563844691 316381970 /nfs/dbraw/zinc/38/19/70/316381970.db2.gz BRLXJKLQPGKSCS-VIFPVBQESA-N -1 3 284.385 1.296 10 0 CDAEHM COc1cc(=NC(=O)Cc2ccc3c(c2)CCCC3)[n-]n1C ZINC000570139206 316917607 /nfs/dbraw/zinc/91/76/07/316917607.db2.gz PPQGWCLFFXQDFS-UHFFFAOYSA-N -1 3 299.374 1.911 10 0 CDAEHM COc1cc(=NC(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)[n-]n1C ZINC000576330584 317118313 /nfs/dbraw/zinc/11/83/13/317118313.db2.gz SJRNABFUBYDRIW-AEJSXWLSSA-N -1 3 266.345 1.359 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2sccc2F)nc1=N ZINC000577498868 317341911 /nfs/dbraw/zinc/34/19/11/317341911.db2.gz GKAZOXXQWVDAQK-QMMMGPOBSA-N -1 3 295.343 1.406 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)CCc1ccc(C)o1 ZINC000579022391 324086295 /nfs/dbraw/zinc/08/62/95/324086295.db2.gz WCHRXSWQVDRPAM-UHFFFAOYSA-N -1 3 277.280 1.669 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)CCc1ccc(C)o1 ZINC000579022391 324086298 /nfs/dbraw/zinc/08/62/98/324086298.db2.gz WCHRXSWQVDRPAM-UHFFFAOYSA-N -1 3 277.280 1.669 10 0 CDAEHM NC(=O)c1csc(=NCCc2ccc3c(c2)OCO3)[n-]1 ZINC000582762705 325038420 /nfs/dbraw/zinc/03/84/20/325038420.db2.gz XSSVXMWGAFAHBQ-UHFFFAOYSA-N -1 3 291.332 1.047 10 0 CDAEHM CC1(CNC(=O)c2c[n-]nc2-c2ccccn2)COC1 ZINC000583964798 325275834 /nfs/dbraw/zinc/27/58/34/325275834.db2.gz CFQYSGBOZPHYRA-UHFFFAOYSA-N -1 3 272.308 1.238 10 0 CDAEHM CCN1CCC[C@H]1CN(C)c1ncc(C(=O)[O-])s1 ZINC000092677592 482633029 /nfs/dbraw/zinc/63/30/29/482633029.db2.gz CKNJJWKOAZITSH-VIFPVBQESA-N -1 3 269.370 1.762 10 0 CDAEHM CCn1nc(C)cc1C(=O)NCc1ncccc1[O-] ZINC000684351206 482768210 /nfs/dbraw/zinc/76/82/10/482768210.db2.gz WOYQTHXMHXUHET-UHFFFAOYSA-N -1 3 260.297 1.242 10 0 CDAEHM Cc1nn2cccnc2c1C(=O)NCc1ncccc1[O-] ZINC000684350886 482768357 /nfs/dbraw/zinc/76/83/57/482768357.db2.gz WRECJDOKEQAXDY-UHFFFAOYSA-N -1 3 283.291 1.068 10 0 CDAEHM Cc1cccc(C(=O)N2CC[C@H](N3CCC3)[C@@H](F)C2)c1[O-] ZINC000684846006 482995978 /nfs/dbraw/zinc/99/59/78/482995978.db2.gz XDLXUUWHQJHLPB-KBPBESRZSA-N -1 3 292.354 1.959 10 0 CDAEHM CN(C)C[C@@H]1CCCN1C(=O)c1c([O-])cc(F)cc1F ZINC000678308962 483023161 /nfs/dbraw/zinc/02/31/61/483023161.db2.gz VBJQVEXVFRZQPD-JTQLQIEISA-N -1 3 284.306 1.837 10 0 CDAEHM CC(C)N(CCCC(=O)[O-])C(=O)N1CCC[C@H]1CN(C)C ZINC000061654153 519642351 /nfs/dbraw/zinc/64/23/51/519642351.db2.gz PJKPOHPMJJIVBI-ZDUSSCGKSA-N -1 3 299.415 1.708 10 0 CDAEHM CC(C)[C@H](N)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050927070 519816944 /nfs/dbraw/zinc/81/69/44/519816944.db2.gz JUEAQKMQEQVHNA-PWSUYJOCSA-N -1 3 256.346 1.216 10 0 CDAEHM CCCN1CCN(c2cc(N)ccc2C(=O)[O-])CC1 ZINC000069513001 519860304 /nfs/dbraw/zinc/86/03/04/519860304.db2.gz MFKFNKPDAJIVTQ-UHFFFAOYSA-N -1 3 263.341 1.499 10 0 CDAEHM CCCNC(=O)[C@H](C)NCc1ccc(C(=O)[O-])cc1 ZINC000050920735 519892605 /nfs/dbraw/zinc/89/26/05/519892605.db2.gz QVOSLSVBVGUDCB-JTQLQIEISA-N -1 3 264.325 1.389 10 0 CDAEHM CCN(C(=O)N(C)C1CCN(C)CC1)[C@H](C)CC(=O)[O-] ZINC000061213233 519939168 /nfs/dbraw/zinc/93/91/68/519939168.db2.gz SZXSXMGGNNLWMW-LLVKDONJSA-N -1 3 285.388 1.318 10 0 CDAEHM CCN(C)C(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC000050925364 520145718 /nfs/dbraw/zinc/14/57/18/520145718.db2.gz NNTLFAJYAKGYNT-NSHDSACASA-N -1 3 256.346 1.184 10 0 CDAEHM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)NCCN1CCCCCC1 ZINC000068688658 520649161 /nfs/dbraw/zinc/64/91/61/520649161.db2.gz SIPUCWMWDHHXIN-RYUDHWBXSA-N -1 3 282.384 1.335 10 0 CDAEHM CN(C)Cc1ccc(C(=O)N(C)C(C)(C)C(=O)[O-])cc1 ZINC000061150680 521893013 /nfs/dbraw/zinc/89/30/13/521893013.db2.gz FDCQNSWOHNNQNC-UHFFFAOYSA-N -1 3 278.352 1.683 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050927056 521945168 /nfs/dbraw/zinc/94/51/68/521945168.db2.gz APPCXMBHDZDRPV-LOWVWBTDSA-N -1 3 270.373 1.606 10 0 CDAEHM CC[C@H](C)[C@H](NC(=O)N[C@@H](CN(C)C)C(C)C)C(=O)[O-] ZINC000049230502 521965551 /nfs/dbraw/zinc/96/55/51/521965551.db2.gz HENNNKUYBWBVIG-SRVKXCTJSA-N -1 3 287.404 1.371 10 0 CDAEHM COCc1cc(=O)[n-]c(Nc2c(F)cccc2F)n1 ZINC000057343214 522905763 /nfs/dbraw/zinc/90/57/63/522905763.db2.gz NIVLKFGOJPBKBR-UHFFFAOYSA-N -1 3 267.235 1.938 10 0 CDAEHM COc1ccc(C(C)=O)cc1CN[C@@H](C(=O)[O-])C1CC1 ZINC000054522848 523792970 /nfs/dbraw/zinc/79/29/70/523792970.db2.gz GHCGJEKEHQXIKN-CQSZACIVSA-N -1 3 277.320 1.851 10 0 CDAEHM COCCN[C@H](C(=O)[O-])c1cccc2cccnc21 ZINC000069503639 523961456 /nfs/dbraw/zinc/96/14/56/523961456.db2.gz UEXOIIPDDYQHIM-ZDUSSCGKSA-N -1 3 260.293 1.597 10 0 CDAEHM COc1cccc([C@H](Cn2c(=O)[n-][nH]c2=S)N(C)C)c1 ZINC000061591597 524160858 /nfs/dbraw/zinc/16/08/58/524160858.db2.gz HRLSUBGROFYZKI-NSHDSACASA-N -1 3 294.380 1.545 10 0 CDAEHM COc1ccc(Cl)c(NC(=O)c2cnn[n-]2)c1 ZINC000049143099 524185499 /nfs/dbraw/zinc/18/54/99/524185499.db2.gz FSIDBSAPQIISTP-UHFFFAOYSA-N -1 3 252.661 1.719 10 0 CDAEHM COc1ccc(Cl)c(NC(=O)c2c[n-]nn2)c1 ZINC000049143099 524185505 /nfs/dbraw/zinc/18/55/05/524185505.db2.gz FSIDBSAPQIISTP-UHFFFAOYSA-N -1 3 252.661 1.719 10 0 CDAEHM COc1ccc(Cl)c(NC(=O)c2cn[n-]n2)c1 ZINC000049143099 524185511 /nfs/dbraw/zinc/18/55/11/524185511.db2.gz FSIDBSAPQIISTP-UHFFFAOYSA-N -1 3 252.661 1.719 10 0 CDAEHM C[C@@H](CN1CCCC1)NCc1nc(=O)c2sccc2[n-]1 ZINC000049165385 524592387 /nfs/dbraw/zinc/59/23/87/524592387.db2.gz VQMUDGGEDDJZGC-JTQLQIEISA-N -1 3 292.408 1.559 10 0 CDAEHM C[C@@H](CN1CCCCC1)N1C[C@@H](C(=O)[O-])CCC1=O ZINC000051603752 524601107 /nfs/dbraw/zinc/60/11/07/524601107.db2.gz BZGGOANWFNGDIH-RYUDHWBXSA-N -1 3 268.357 1.184 10 0 CDAEHM Cc1cc(CC[N-]S(=O)(=O)c2c(C)noc2C)c(C)[nH]1 ZINC000062576695 524644146 /nfs/dbraw/zinc/64/41/46/524644146.db2.gz NNKSJSSXVQGNQQ-UHFFFAOYSA-N -1 3 297.380 1.757 10 0 CDAEHM Cc1ccc([O-])c(CN2CCOC[C@H]2[C@H]2CCCC2=O)n1 ZINC000364948635 525342499 /nfs/dbraw/zinc/34/24/99/525342499.db2.gz IZHIJNQODXZJAQ-OCCSQVGLSA-N -1 3 290.363 1.666 10 0 CDAEHM O=C([O-])[C@@H]1CCCC[C@H]1N1CCN(c2nccs2)CC1 ZINC000062750571 526270657 /nfs/dbraw/zinc/27/06/57/526270657.db2.gz UPVSRMLPSYBMFH-VXGBXAGGSA-N -1 3 295.408 1.909 10 0 CDAEHM Cn1c(=O)[n-]nc1SC[C@@](C)(O)c1ccccc1 ZINC000061592997 527020631 /nfs/dbraw/zinc/02/06/31/527020631.db2.gz LRYNUGKWSCKDDZ-GFCCVEGCSA-N -1 3 265.338 1.108 10 0 CDAEHM NC[C@@H](C(=O)N(CCC(=O)[O-])C1CC1)c1ccccc1 ZINC000061612518 527200930 /nfs/dbraw/zinc/20/09/30/527200930.db2.gz HYFIUHIETRDLTI-CYBMUJFWSA-N -1 3 276.336 1.195 10 0 CDAEHM O=c1ccn(CCCCn2ccnc2)c(=S)[n-]1 ZINC000052313175 527491295 /nfs/dbraw/zinc/49/12/95/527491295.db2.gz FSPPPVWPNREQDO-UHFFFAOYSA-N -1 3 250.327 1.583 10 0 CDAEHM O=C([O-])C1(NC(=O)NCCN2CCCCC2)CCCC1 ZINC000049575729 527556228 /nfs/dbraw/zinc/55/62/28/527556228.db2.gz SHBZCBAPNIHBOJ-UHFFFAOYSA-N -1 3 283.372 1.169 10 0 CDAEHM CCN1CCN(CC(=O)Nc2c([O-])cccc2F)CC1 ZINC000088378492 538223548 /nfs/dbraw/zinc/22/35/48/538223548.db2.gz KROVQRKPHPAKFD-UHFFFAOYSA-N -1 3 281.331 1.107 10 0 CDAEHM C[C@@H](CO)CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000121292857 538278496 /nfs/dbraw/zinc/27/84/96/538278496.db2.gz AIGHOHHSDAIJGU-GFCCVEGCSA-N -1 3 277.364 1.915 10 0 CDAEHM CC(C)CN1CCC(n2cc(C=O)c(C(=O)[O-])n2)CC1 ZINC000757168757 574900389 /nfs/dbraw/zinc/90/03/89/574900389.db2.gz MWEIPHAPKVADTE-UHFFFAOYSA-N -1 3 279.340 1.687 10 0 CDAEHM COc1ccc(-c2c(N)nc(N(C)C)[n-]c2=O)cc1 ZINC000757178758 574900859 /nfs/dbraw/zinc/90/08/59/574900859.db2.gz LMLVQUZLCILPDN-UHFFFAOYSA-N -1 3 260.297 1.506 10 0 CDAEHM O=C(/C=C\c1cncc([O-])c1)NCCCNc1ncccn1 ZINC000770491091 575455638 /nfs/dbraw/zinc/45/56/38/575455638.db2.gz RKTNIEPAFWRUSP-ARJAWSKDSA-N -1 3 299.334 1.209 10 0 CDAEHM O=C([N-]N1CCCC1=O)c1coc(Br)c1 ZINC000770543454 575463169 /nfs/dbraw/zinc/46/31/69/575463169.db2.gz PFIPWTZXLVXVCU-UHFFFAOYSA-N -1 3 273.086 1.309 10 0 CDAEHM O=C(Nc1cnoc1)c1nnc2ccccc2c1[O-] ZINC000735653111 575495615 /nfs/dbraw/zinc/49/56/15/575495615.db2.gz AYFDSAODBVCBOA-UHFFFAOYSA-N -1 3 256.221 1.576 10 0 CDAEHM O=C([N-]c1cnoc1)c1nnc2ccccc2c1O ZINC000735653111 575495616 /nfs/dbraw/zinc/49/56/16/575495616.db2.gz AYFDSAODBVCBOA-UHFFFAOYSA-N -1 3 256.221 1.576 10 0 CDAEHM CCOc1nc(C(=O)[N-]c2nc3cc[nH]cc-3n2)co1 ZINC000773523234 575819346 /nfs/dbraw/zinc/81/93/46/575819346.db2.gz HXODNMYGJRSJCT-UHFFFAOYSA-N -1 3 273.252 1.597 10 0 CDAEHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)C(=O)N(C)C ZINC000765802829 576057325 /nfs/dbraw/zinc/05/73/25/576057325.db2.gz IIOBVLAMCLZNRB-QMMMGPOBSA-N -1 3 288.269 1.510 10 0 CDAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C1(C2CC2)CC1 ZINC000760636449 576497992 /nfs/dbraw/zinc/49/79/92/576497992.db2.gz WPWLKKNHKUSGBL-UHFFFAOYSA-N -1 3 289.788 1.603 10 0 CDAEHM Cc1cc(=O)[n-]c(CSC[C@H](C)CS(C)(=O)=O)n1 ZINC000763214531 576722121 /nfs/dbraw/zinc/72/21/21/576722121.db2.gz CAVATYQKSDPYEP-QMMMGPOBSA-N -1 3 290.410 1.405 10 0 CDAEHM C[C@@H](CO)CSCC(=O)N=c1cc[n-]n1[C@@H](C)C1CC1 ZINC000746390120 576774397 /nfs/dbraw/zinc/77/43/97/576774397.db2.gz UCISQVKKQKMVOH-QWRGUYRKSA-N -1 3 297.424 1.576 10 0 CDAEHM CC[C@H](C)C(=O)COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000756405055 576989314 /nfs/dbraw/zinc/98/93/14/576989314.db2.gz PRYRRYABPZTFMG-QMMMGPOBSA-N -1 3 289.287 1.342 10 0 CDAEHM COC(=O)/C(C)=C/COC(=O)c1ccc([O-])c(OC)c1 ZINC000757097697 577027265 /nfs/dbraw/zinc/02/72/65/577027265.db2.gz QHDLMYFAGDITLA-RMKNXTFCSA-N -1 3 280.276 1.677 10 0 CDAEHM Cc1cc([O-])ccc1C(=O)O[C@H](C(=O)N(C)C)C(C)C ZINC000758518723 577113492 /nfs/dbraw/zinc/11/34/92/577113492.db2.gz WJMZPDDODUHXEM-ZDUSSCGKSA-N -1 3 279.336 1.970 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H](C)C1CCCCC1 ZINC000866865384 617434629 /nfs/dbraw/zinc/43/46/29/617434629.db2.gz YUDDOQPLFWFVBE-QGHHPUGFSA-N -1 3 296.458 1.907 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@H]32)nn1 ZINC000866962717 620775611 /nfs/dbraw/zinc/77/56/11/620775611.db2.gz OCGOUBBFQAKIPJ-QJPTWQEYSA-N -1 3 297.380 1.021 10 0 CDAEHM CCSc1cccc(CN2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC000901900142 618349749 /nfs/dbraw/zinc/34/97/49/618349749.db2.gz FLGDMBPTJLWGCT-AWEZNQCLSA-N -1 3 281.377 1.820 10 0 CDAEHM CCCN1CC[C@@H](NC(=O)c2coc(/C=C\C(=O)[O-])c2)C1 ZINC000902071948 618537478 /nfs/dbraw/zinc/53/74/78/618537478.db2.gz KKRNYEKDEYUXHI-VSQXVHSFSA-N -1 3 292.335 1.592 10 0 CDAEHM C[C@@H]1CO[C@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000895614293 619758509 /nfs/dbraw/zinc/75/85/09/619758509.db2.gz LCKSDFLRPGORPJ-CBAPKCEASA-N -1 3 262.269 1.428 10 0 CDAEHM C/C(=C\C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)C1CC1 ZINC000898212269 621366099 /nfs/dbraw/zinc/36/60/99/621366099.db2.gz GFBIAJIIJDYKML-OALRPVAKSA-N -1 3 261.325 1.788 10 0 CDAEHM CCOC(=O)C(C)(C)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217300 621370174 /nfs/dbraw/zinc/37/01/74/621370174.db2.gz HWNSCSJXOHUTST-SECBINFHSA-N -1 3 295.339 1.021 10 0 CDAEHM CO[C@H](C)CCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217728 621370774 /nfs/dbraw/zinc/37/07/74/621370774.db2.gz QKZWPCIXFUBUDR-NXEZZACHSA-N -1 3 267.329 1.246 10 0 CDAEHM O=C(Cc1cncs1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898220546 621372484 /nfs/dbraw/zinc/37/24/84/621372484.db2.gz DNMSPWMCHWMYQN-QMMMGPOBSA-N -1 3 278.337 1.130 10 0 CDAEHM CC(C)n1cc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cn1 ZINC000898222832 621410074 /nfs/dbraw/zinc/41/00/74/621410074.db2.gz YSHJVTXAGWJXIV-JTQLQIEISA-N -1 3 289.339 1.522 10 0 CDAEHM O=C([C@@H]1CCc2cccnc21)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898222943 621411963 /nfs/dbraw/zinc/41/19/63/621411963.db2.gz YCUKXGWIRCWCNS-NWDGAFQWSA-N -1 3 298.346 1.556 10 0 CDAEHM CC1(C)CO[C@H](CC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC000898226386 621414688 /nfs/dbraw/zinc/41/46/88/621414688.db2.gz KXUPVPVMWRPKBY-WDEREUQCSA-N -1 3 293.367 1.636 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CCCC23CC3)n1 ZINC000898258588 621422545 /nfs/dbraw/zinc/42/25/45/621422545.db2.gz SKYXTKBHSBWSNL-SNVBAGLBSA-N -1 3 261.325 1.687 10 0 CDAEHM O=C(CC1(O)CCOCC1)Nc1ccc(Cl)cc1[O-] ZINC000907139644 627541799 /nfs/dbraw/zinc/54/17/99/627541799.db2.gz LBAJCWFXNDUOJE-UHFFFAOYSA-N -1 3 285.727 1.916 10 0 CDAEHM COc1cccc([O-])c1C(=O)N1CC2(C1)CCOCC2 ZINC000907254973 627581774 /nfs/dbraw/zinc/58/17/74/627581774.db2.gz GFAJKIKRJOIPIZ-UHFFFAOYSA-N -1 3 277.320 1.653 10 0 CDAEHM O=C(C=CC=C(Cl)Cl)NCCCc1cc(=O)[nH][n-]1 ZINC000908232288 628084578 /nfs/dbraw/zinc/08/45/78/628084578.db2.gz PBRLWDREROCUCZ-KTAJNNJTSA-N -1 3 290.150 1.634 10 0 CDAEHM CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000909681042 628617051 /nfs/dbraw/zinc/61/70/51/628617051.db2.gz WSPVGPWAYCMZIF-FQUUOJAGSA-N -1 3 294.395 1.571 10 0 CDAEHM CCCN(C)CC(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1 ZINC000909943851 628769385 /nfs/dbraw/zinc/76/93/85/628769385.db2.gz IGYHAZZMMCVUKD-CQSZACIVSA-N -1 3 286.347 1.134 10 0 CDAEHM CC[C@H](C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1)N(C)C ZINC000910220634 628910022 /nfs/dbraw/zinc/91/00/22/628910022.db2.gz NCMPFUNJDDWDMV-IAQYHMDHSA-N -1 3 284.400 1.866 10 0 CDAEHM C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC000910312060 628979368 /nfs/dbraw/zinc/97/93/68/628979368.db2.gz BOBOHILECYSGLV-HFAKWTLXSA-N -1 3 282.384 1.619 10 0 CDAEHM CN=[S@@](C)(=O)CCNC(=O)c1c(C)cccc1[O-] ZINC000912779636 630210628 /nfs/dbraw/zinc/21/06/28/630210628.db2.gz GRJDDTAGJANERK-SFHVURJKSA-N -1 3 270.354 1.158 10 0 CDAEHM Cc1cnc(F)cc1C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000913295414 630439277 /nfs/dbraw/zinc/43/92/77/630439277.db2.gz 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CC(C)(C)Oc1cccc(CNC(=O)c2cn[n-]n2)c1 ZINC000169933109 911937248 /nfs/dbraw/zinc/93/72/48/911937248.db2.gz BVRAXHYDXKGAEK-UHFFFAOYSA-N -1 3 274.324 1.912 10 0 CDAEHM CCOc1nnc(NC(=O)c2ccc(C)c(OC)c2)[n-]1 ZINC000228769661 911967841 /nfs/dbraw/zinc/96/78/41/911967841.db2.gz DDHCYSVBJCMZKI-UHFFFAOYSA-N -1 3 276.296 1.773 10 0 CDAEHM CCOc1nc(NC(=O)c2ccc(C)c(OC)c2)n[n-]1 ZINC000228769661 911967857 /nfs/dbraw/zinc/96/78/57/911967857.db2.gz DDHCYSVBJCMZKI-UHFFFAOYSA-N -1 3 276.296 1.773 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2ccc(C)c(OC)c2)n1 ZINC000228769661 911967870 /nfs/dbraw/zinc/96/78/70/911967870.db2.gz DDHCYSVBJCMZKI-UHFFFAOYSA-N -1 3 276.296 1.773 10 0 CDAEHM CCOc1nnc(NC(=O)c2cc(Cl)cn2CC)[n-]1 ZINC000228780739 911974700 /nfs/dbraw/zinc/97/47/00/911974700.db2.gz FFCJPCJYPOYNMW-UHFFFAOYSA-N -1 3 283.719 1.931 10 0 CDAEHM CCOc1nc(NC(=O)c2cc(Cl)cn2CC)n[n-]1 ZINC000228780739 911974712 /nfs/dbraw/zinc/97/47/12/911974712.db2.gz FFCJPCJYPOYNMW-UHFFFAOYSA-N -1 3 283.719 1.931 10 0 CDAEHM 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ZINC000487614760 392255467 /nfs/dbraw/zinc/25/54/67/392255467.db2.gz HZWNTASICGXGEP-SECBINFHSA-N -1 3 275.337 1.242 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)n[n-]1 ZINC000246150444 131091379 /nfs/dbraw/zinc/09/13/79/131091379.db2.gz DQAMBPUBKZUWAB-GDGBQDQQSA-N -1 3 271.324 1.795 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)[n-]n1 ZINC000246150444 131091380 /nfs/dbraw/zinc/09/13/80/131091380.db2.gz DQAMBPUBKZUWAB-GDGBQDQQSA-N -1 3 271.324 1.795 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3C[C@H]3C2)nc1C ZINC000645874255 392441293 /nfs/dbraw/zinc/44/12/93/392441293.db2.gz SAOBWMOMXAXEEP-SDDRHHMPSA-N -1 3 283.397 1.678 10 0 CDAEHM C[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccccc1Cl ZINC000264639751 131481207 /nfs/dbraw/zinc/48/12/07/131481207.db2.gz FAXHIOOEJBOCTI-QMMMGPOBSA-N -1 3 295.726 1.069 10 0 CDAEHM O=c1[n-]nc(C2CCN(CCC[C@@H]3CCOC3)CC2)o1 ZINC000645897684 392503613 /nfs/dbraw/zinc/50/36/13/392503613.db2.gz KIEQXMKSKFPWER-LLVKDONJSA-N -1 3 281.356 1.771 10 0 CDAEHM COc1nnc(NC(=O)Cc2c(F)cccc2Cl)[n-]1 ZINC000126793266 392587824 /nfs/dbraw/zinc/58/78/24/392587824.db2.gz FSSRLRRUBJGSRQ-UHFFFAOYSA-N -1 3 284.678 1.787 10 0 CDAEHM COc1nc(NC(=O)Cc2c(F)cccc2Cl)n[n-]1 ZINC000126793266 392587828 /nfs/dbraw/zinc/58/78/28/392587828.db2.gz FSSRLRRUBJGSRQ-UHFFFAOYSA-N -1 3 284.678 1.787 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2c(F)cccc2Cl)n1 ZINC000126793266 392587831 /nfs/dbraw/zinc/58/78/31/392587831.db2.gz FSSRLRRUBJGSRQ-UHFFFAOYSA-N -1 3 284.678 1.787 10 0 CDAEHM COc1cc(=NC(=O)NCc2cscc2C)[n-]n1C ZINC000574225050 392547922 /nfs/dbraw/zinc/54/79/22/392547922.db2.gz BEYVVNNUJPKQPS-UHFFFAOYSA-N -1 3 280.353 1.542 10 0 CDAEHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCO[C@@H]2C[C@@H]21 ZINC000646740124 392718019 /nfs/dbraw/zinc/71/80/19/392718019.db2.gz FCANGFDZUJULJX-UONOGXRCSA-N -1 3 273.332 1.884 10 0 CDAEHM Cc1cccc(C(=O)N2CC(CN3CCOCC3)C2)c1[O-] ZINC000646358251 392885899 /nfs/dbraw/zinc/88/58/99/392885899.db2.gz CMBZCKVIQSUQNX-UHFFFAOYSA-N -1 3 290.363 1.105 10 0 CDAEHM O=C(N=c1[n-]ncs1)N1CC[C@H](N2CCCCC2)C1 ZINC000517407252 392886548 /nfs/dbraw/zinc/88/65/48/392886548.db2.gz SOULCBWFAGKLAW-JTQLQIEISA-N -1 3 281.385 1.052 10 0 CDAEHM CCC1(CN=c2[n-]c(C(=O)OC)c(C)s2)COC1 ZINC000450841491 392957826 /nfs/dbraw/zinc/95/78/26/392957826.db2.gz CACHZJNOHXBDAB-UHFFFAOYSA-N -1 3 270.354 1.499 10 0 CDAEHM COCCN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@H]1CCOC1 ZINC000459447271 393166250 /nfs/dbraw/zinc/16/62/50/393166250.db2.gz UTSPYGAAZIMWJR-ZDUSSCGKSA-N -1 3 293.367 1.297 10 0 CDAEHM CCN(Cc1cn(C)nn1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459399126 393139598 /nfs/dbraw/zinc/13/95/98/393139598.db2.gz BDKNAIXZWLYMFO-UHFFFAOYSA-N -1 3 288.355 1.210 10 0 CDAEHM Cc1csc(S(=O)(=O)[N-]CCc2cc(C)no2)c1 ZINC000451539692 393324176 /nfs/dbraw/zinc/32/41/76/393324176.db2.gz YXNDXWKUOXOGEM-UHFFFAOYSA-N -1 3 286.378 1.874 10 0 CDAEHM O=C(Nc1ncccc1[O-])[C@H]1CCc2nnc(C3CC3)n2C1 ZINC000645974025 393442067 /nfs/dbraw/zinc/44/20/67/393442067.db2.gz TXXXVXVULRISCG-JTQLQIEISA-N -1 3 299.334 1.457 10 0 CDAEHM Cc1ncc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)s1 ZINC000179049501 140011519 /nfs/dbraw/zinc/01/15/19/140011519.db2.gz IQLWBRBIPZRPGL-UHFFFAOYSA-N -1 3 288.336 1.827 10 0 CDAEHM Cc1ncc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)s1 ZINC000179049501 140011521 /nfs/dbraw/zinc/01/15/21/140011521.db2.gz IQLWBRBIPZRPGL-UHFFFAOYSA-N -1 3 288.336 1.827 10 0 CDAEHM O=C(NCc1ccccc1OCCO)c1cccc([O-])c1 ZINC000182585901 140022205 /nfs/dbraw/zinc/02/22/05/140022205.db2.gz SRARLJOSTPVKFD-UHFFFAOYSA-N -1 3 287.315 1.693 10 0 CDAEHM C[C@H](C[C@H](C)O)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000228191981 140191804 /nfs/dbraw/zinc/19/18/04/140191804.db2.gz BCWWWQASKSURIU-ZJUUUORDSA-N -1 3 274.320 1.417 10 0 CDAEHM COC(=O)[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000234531555 140229044 /nfs/dbraw/zinc/22/90/44/140229044.db2.gz UQRLHEHCCQDCDM-MRVPVSSYSA-N -1 3 283.711 1.681 10 0 CDAEHM CCC[C@H](NC(=O)[C@H](C)[C@H](N)c1ccccc1)C(=O)[O-] ZINC000130293395 413087258 /nfs/dbraw/zinc/08/72/58/413087258.db2.gz BYHVYICYXFXARB-WXHSDQCUSA-N -1 3 278.352 1.692 10 0 CDAEHM CCCn1nccc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000031770383 397706265 /nfs/dbraw/zinc/70/62/65/397706265.db2.gz GZIIOOOMBAZDKU-UHFFFAOYSA-N -1 3 270.296 1.817 10 0 CDAEHM CC[C@@H]1[C@@H](CO)CCN1C(=O)c1cccc2[n-]nnc21 ZINC000651072239 397806877 /nfs/dbraw/zinc/80/68/77/397806877.db2.gz HUHCGWCWXSEINT-BXKDBHETSA-N -1 3 274.324 1.191 10 0 CDAEHM CC[C@@H]1[C@@H](CO)CCN1C(=O)c1cccc2nn[n-]c21 ZINC000651072239 397806880 /nfs/dbraw/zinc/80/68/80/397806880.db2.gz HUHCGWCWXSEINT-BXKDBHETSA-N -1 3 274.324 1.191 10 0 CDAEHM CC[C@@H]1[C@@H](CO)CCN1C(=O)c1cccc2n[n-]nc21 ZINC000651072239 397806883 /nfs/dbraw/zinc/80/68/83/397806883.db2.gz HUHCGWCWXSEINT-BXKDBHETSA-N -1 3 274.324 1.191 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1)C(C)(C)O ZINC000651570540 398104180 /nfs/dbraw/zinc/10/41/80/398104180.db2.gz GBZGEJCUSTUQLO-SSDOTTSWSA-N -1 3 295.763 1.917 10 0 CDAEHM CCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000101681649 147136820 /nfs/dbraw/zinc/13/68/20/147136820.db2.gz 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292.379 1.790 10 0 CDAEHM C[C@@H](C(=O)N1CCCC1)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925411 524107244 /nfs/dbraw/zinc/10/72/44/524107244.db2.gz MCASGHPRGFQBTC-QWHCGFSZSA-N -1 3 282.384 1.717 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2ccn(C)c2)o1 ZINC000335950880 525580400 /nfs/dbraw/zinc/58/04/00/525580400.db2.gz LMLFFZNSAQUOKV-UHFFFAOYSA-N -1 3 254.311 1.405 10 0 CDAEHM O=C([O-])[C@H]1CCC[C@H]1N1CCN(c2nccs2)CC1 ZINC000062750565 526325821 /nfs/dbraw/zinc/32/58/21/526325821.db2.gz APAVSKGJNQFCPK-WDEREUQCSA-N -1 3 281.381 1.518 10 0 CDAEHM Cc1nc(=O)n([C@H](CN(C)C)C(C)C)c(C)c1CC(=O)[O-] ZINC000049223495 526632797 /nfs/dbraw/zinc/63/27/97/526632797.db2.gz BNIWXPSOLIKHPF-CYBMUJFWSA-N -1 3 295.383 1.246 10 0 CDAEHM O=C(CCn1cncn1)[N-]OCc1ccc(F)cc1 ZINC000184243534 526686571 /nfs/dbraw/zinc/68/65/71/526686571.db2.gz AWEAPHZMDRBPJT-UHFFFAOYSA-N -1 3 264.260 1.055 10 0 CDAEHM O=C(NCc1cscn1)c1ccc2n[n-]nc2c1 ZINC000050684938 526815477 /nfs/dbraw/zinc/81/54/77/526815477.db2.gz HEYAKVRZFAMYSS-UHFFFAOYSA-N -1 3 259.294 1.344 10 0 CDAEHM O=C(CNC(=O)c1cccc([O-])c1)OC1CCCCC1 ZINC000182553624 526861154 /nfs/dbraw/zinc/86/11/54/526861154.db2.gz YCXNWBFGANJXTI-UHFFFAOYSA-N -1 3 277.320 1.998 10 0 CDAEHM O=C([O-])CN1CCCN(C(=O)Nc2ccccc2)CC1 ZINC000061145306 527610077 /nfs/dbraw/zinc/61/00/77/527610077.db2.gz OYKCIIDSRBXPHQ-UHFFFAOYSA-N -1 3 277.324 1.311 10 0 CDAEHM CC1(CC(=O)Nc2[n-]nnc2C(=O)NC2CC2)CCCC1 ZINC000297774738 527916914 /nfs/dbraw/zinc/91/69/14/527916914.db2.gz QDWDHYQDTVPTDO-UHFFFAOYSA-N -1 3 291.355 1.606 10 0 CDAEHM CC1(CC(=O)Nc2nn[n-]c2C(=O)NC2CC2)CCCC1 ZINC000297774738 527916915 /nfs/dbraw/zinc/91/69/15/527916915.db2.gz QDWDHYQDTVPTDO-UHFFFAOYSA-N -1 3 291.355 1.606 10 0 CDAEHM CC1(CC(=O)Nc2n[n-]nc2C(=O)NC2CC2)CCCC1 ZINC000297774738 527916916 /nfs/dbraw/zinc/91/69/16/527916916.db2.gz QDWDHYQDTVPTDO-UHFFFAOYSA-N -1 3 291.355 1.606 10 0 CDAEHM CC[C@@H](OC(=O)c1cc(-c2ccoc2)[n-]n1)C(N)=O ZINC000726997969 574534063 /nfs/dbraw/zinc/53/40/63/574534063.db2.gz OGHDWBYSXLIONI-SNVBAGLBSA-N -1 3 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/nfs/dbraw/zinc/95/90/17/356959017.db2.gz SYMPLMLIAQUWKP-UHFFFAOYSA-N -1 3 296.290 1.426 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](O)C2(C)C)o1 ZINC000335846158 358122154 /nfs/dbraw/zinc/12/21/54/358122154.db2.gz GYOVAUIZDYFEKL-IUCAKERBSA-N -1 3 259.327 1.026 10 0 CDAEHM Cc1cccc(C(=O)N2CCC([C@@H](C)O)CC2)c1[O-] ZINC000094157298 358172886 /nfs/dbraw/zinc/17/28/86/358172886.db2.gz HQVHNFVDCWWCBD-LLVKDONJSA-N -1 3 263.337 1.934 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2cnccn2)n1 ZINC000192614670 358221500 /nfs/dbraw/zinc/22/15/00/358221500.db2.gz MYABOAJKWLDIBP-SNVBAGLBSA-N -1 3 259.313 1.474 10 0 CDAEHM COc1nnc(NC(=O)c2ccnn2CC2CCC2)[n-]1 ZINC000632257425 358266503 /nfs/dbraw/zinc/26/65/03/358266503.db2.gz GNOUSBNKVFSWRF-UHFFFAOYSA-N -1 3 276.300 1.062 10 0 CDAEHM COc1nc(NC(=O)c2ccnn2CC2CCC2)n[n-]1 ZINC000632257425 358266506 /nfs/dbraw/zinc/26/65/06/358266506.db2.gz GNOUSBNKVFSWRF-UHFFFAOYSA-N -1 3 276.300 1.062 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccnn2CC2CCC2)n1 ZINC000632257425 358266509 /nfs/dbraw/zinc/26/65/09/358266509.db2.gz GNOUSBNKVFSWRF-UHFFFAOYSA-N -1 3 276.300 1.062 10 0 CDAEHM CCC(=O)N1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000569570579 358625005 /nfs/dbraw/zinc/62/50/05/358625005.db2.gz RRKYDOVHFRMRKE-UHFFFAOYSA-N -1 3 276.340 1.071 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)c1 ZINC000408188293 358768823 /nfs/dbraw/zinc/76/88/23/358768823.db2.gz SCJZODJLOONPFD-WHOFXGATSA-N -1 3 275.348 1.798 10 0 CDAEHM C[C@@H]1C[C@H](C)N1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000335259231 359132116 /nfs/dbraw/zinc/13/21/16/359132116.db2.gz FOSZXGGPXSJGSW-OLQVQODUSA-N -1 3 277.250 1.516 10 0 CDAEHM C[C@@H]1C[C@H](C)N1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000335259231 359132119 /nfs/dbraw/zinc/13/21/19/359132119.db2.gz FOSZXGGPXSJGSW-OLQVQODUSA-N -1 3 277.250 1.516 10 0 CDAEHM C[C@@H]1C[C@H](C)N1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000335259231 359132123 /nfs/dbraw/zinc/13/21/23/359132123.db2.gz FOSZXGGPXSJGSW-OLQVQODUSA-N -1 3 277.250 1.516 10 0 CDAEHM Cc1ccc(C)c([C@H](C)N(C)Cc2nc(=O)n(C)[n-]2)c1 ZINC000347393538 359342617 /nfs/dbraw/zinc/34/26/17/359342617.db2.gz OBOGUMCAQGJTDS-LBPRGKRZSA-N -1 3 274.368 1.918 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)o1)[C@@H]1CCCO1 ZINC000358607287 359400481 /nfs/dbraw/zinc/40/04/81/359400481.db2.gz XVBOHIMSBDEQMR-QWRGUYRKSA-N -1 3 273.354 1.824 10 0 CDAEHM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1cscn1 ZINC000563532888 316325553 /nfs/dbraw/zinc/32/55/53/316325553.db2.gz VDOWCQSFQKGWCF-UHFFFAOYSA-N -1 3 278.399 1.219 10 0 CDAEHM CC[C@@H](C)CON=C([O-])Nc1nnc(OC)s1 ZINC000297656245 200254403 /nfs/dbraw/zinc/25/44/03/200254403.db2.gz DMVUJTYLRDZKHK-ZCFIWIBFSA-N -1 3 260.319 1.646 10 0 CDAEHM CC[C@@H](C)CO[N-]C(=O)Nc1nnc(OC)s1 ZINC000297656245 200254404 /nfs/dbraw/zinc/25/44/04/200254404.db2.gz DMVUJTYLRDZKHK-ZCFIWIBFSA-N -1 3 260.319 1.646 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1CC[C@H]2C[C@H]2C1)c1c[nH]cn1 ZINC000403630445 359925653 /nfs/dbraw/zinc/92/56/53/359925653.db2.gz NAPSUMBHWOOOIC-KXUCPTDWSA-N -1 3 255.343 1.124 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)n1 ZINC000528783113 359954641 /nfs/dbraw/zinc/95/46/41/359954641.db2.gz LAGSPWIOKCNDMC-JGRMJRGVSA-N -1 3 295.408 1.230 10 0 CDAEHM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1cscn1 ZINC000335389456 360141418 /nfs/dbraw/zinc/14/14/18/360141418.db2.gz NKOGJFVAOUIXCF-NKWVEPMBSA-N -1 3 264.397 1.173 10 0 CDAEHM Cn1cc(OCC(=O)Nc2cc(Cl)ccc2[O-])cn1 ZINC000337509225 360197113 /nfs/dbraw/zinc/19/71/13/360197113.db2.gz DAPNLYZCBJVRCR-UHFFFAOYSA-N -1 3 281.699 1.797 10 0 CDAEHM COc1cccc(C(=O)N2CC[C@@]3(CCOC3)C2)c1[O-] ZINC000155204040 360441356 /nfs/dbraw/zinc/44/13/56/360441356.db2.gz ZWDRGCPNMAVPML-OAHLLOKOSA-N -1 3 277.320 1.653 10 0 CDAEHM C[C@H]1CCC[C@@H](N(C)C(=O)C2CC3(C2)NC(=O)[N-]C3=O)C1 ZINC000155068827 360428044 /nfs/dbraw/zinc/42/80/44/360428044.db2.gz MYYYOHMUZAFXIN-BFVXHGPNSA-N -1 3 293.367 1.012 10 0 CDAEHM O=C([O-])c1ccc([C@H]2CN(CCO)CCCO2)cc1 ZINC000616597192 360497634 /nfs/dbraw/zinc/49/76/34/360497634.db2.gz 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CCCc1ncc(CNC(=O)c2csc(=NCC)[n-]2)o1 ZINC000412393876 240190971 /nfs/dbraw/zinc/19/09/71/240190971.db2.gz POIKSTYKMKCUEA-UHFFFAOYSA-N -1 3 294.380 1.867 10 0 CDAEHM COc1cccc(CNC(=O)NCc2ncccc2[O-])n1 ZINC000471766510 364974286 /nfs/dbraw/zinc/97/42/86/364974286.db2.gz FJMZHYRUGOPOGG-UHFFFAOYSA-N -1 3 288.307 1.190 10 0 CDAEHM C[C@@H](CC1CCCCC1)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000570273030 294206196 /nfs/dbraw/zinc/20/61/96/294206196.db2.gz DBAYHRQNVORRBF-ONGXEEELSA-N -1 3 281.356 1.060 10 0 CDAEHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cscn2)CCO1 ZINC000566794921 370814768 /nfs/dbraw/zinc/81/47/68/370814768.db2.gz UMVZFUDAJYWKML-ZJUUUORDSA-N -1 3 290.410 1.625 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CC(=O)N(CC2CC2)C1 ZINC000279364721 366958467 /nfs/dbraw/zinc/95/84/67/366958467.db2.gz GKXVEZJXBJJGGI-UHFFFAOYSA-N -1 3 260.293 1.044 10 0 CDAEHM COC(=O)C1(CSc2n[n-]c(-c3ccccn3)n2)CC1 ZINC000279533808 367032987 /nfs/dbraw/zinc/03/29/87/367032987.db2.gz UWLVAFWXWDXPGM-UHFFFAOYSA-N -1 3 290.348 1.912 10 0 CDAEHM CN(CCCCCO)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000227098359 367384879 /nfs/dbraw/zinc/38/48/79/367384879.db2.gz RVMWMNPMSCCVKQ-UHFFFAOYSA-N -1 3 288.347 1.763 10 0 CDAEHM Cc1ccc2nccc(NC[C@@](C)(O)C(=O)[O-])c2c1 ZINC000416433780 242002889 /nfs/dbraw/zinc/00/28/89/242002889.db2.gz QSZGSDGUZIBSED-CQSZACIVSA-N -1 3 260.293 1.213 10 0 CDAEHM CO[C@H](C)C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000416476764 242019083 /nfs/dbraw/zinc/01/90/83/242019083.db2.gz ZCKBKEAGIDLUOS-VHSXEESVSA-N -1 3 287.385 1.094 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H](C)Cn2cccn2)o1 ZINC000358460698 367700006 /nfs/dbraw/zinc/70/00/06/367700006.db2.gz GSSFJVJJURALIS-SECBINFHSA-N -1 3 269.326 1.152 10 0 CDAEHM CCCN(C)S(=O)(=O)[N-]c1cccc2c1OCCO2 ZINC000340127481 367720006 /nfs/dbraw/zinc/72/00/06/367720006.db2.gz GPRAHARNVYFKCB-UHFFFAOYSA-N -1 3 286.353 1.456 10 0 CDAEHM CC1(C)SC[C@@H]1Nc1nc2nncc-2c(O)[n-]1 ZINC000282827453 368055721 /nfs/dbraw/zinc/05/57/21/368055721.db2.gz LBGIFPUXLHYTAX-LURJTMIESA-N -1 3 251.315 1.364 10 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Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CSC1(C)C ZINC000276402027 193317105 /nfs/dbraw/zinc/31/71/05/193317105.db2.gz ZHOVSAAUFWLGHI-MRVPVSSYSA-N -1 3 276.383 1.464 10 0 CDAEHM COc1cc(=NC(=O)N2CCC[C@H]2CSC)[n-]n1C ZINC000547844655 369666304 /nfs/dbraw/zinc/66/63/04/369666304.db2.gz QREHCEKHBSNONK-VIFPVBQESA-N -1 3 284.385 1.210 10 0 CDAEHM CCO[C@@H](CC(=O)N=c1cc(OC)n(C)[n-]1)C(C)C ZINC000548473265 369869627 /nfs/dbraw/zinc/86/96/27/369869627.db2.gz LSZNQGQOXCIDAI-JTQLQIEISA-N -1 3 269.345 1.240 10 0 CDAEHM CCC(CC)[C@H](C)C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000548473056 369870467 /nfs/dbraw/zinc/87/04/67/369870467.db2.gz CJQXLOIVTUBZQK-VIFPVBQESA-N -1 3 253.346 1.861 10 0 CDAEHM COc1cc(=NC(=O)NCC2CCC(C)CC2)[n-]n1C ZINC000548493595 369876854 /nfs/dbraw/zinc/87/68/54/369876854.db2.gz IVEBRNVISXFBIH-UHFFFAOYSA-N -1 3 280.372 1.798 10 0 CDAEHM CCC[C@H](C)C(=O)NCCNCc1nc(C)ccc1[O-] ZINC000292810388 370400490 /nfs/dbraw/zinc/40/04/90/370400490.db2.gz WGSADUQXYNQUEH-NSHDSACASA-N -1 3 279.384 1.738 10 0 CDAEHM 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266.251 1.616 10 0 CDAEHM C[C@@H](CNC(=O)c1cnn[n-]1)c1ccc(F)cc1F ZINC000174312183 372596275 /nfs/dbraw/zinc/59/62/75/372596275.db2.gz NUARREJKNWDOIG-ZETCQYMHSA-N -1 3 266.251 1.616 10 0 CDAEHM C[C@@H](CNC(=O)c1cn[n-]n1)c1ccc(F)cc1F ZINC000174312183 372596278 /nfs/dbraw/zinc/59/62/78/372596278.db2.gz NUARREJKNWDOIG-ZETCQYMHSA-N -1 3 266.251 1.616 10 0 CDAEHM Cc1ncsc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119879596 374571090 /nfs/dbraw/zinc/57/10/90/374571090.db2.gz VOXBOCZEBHRXIN-UHFFFAOYSA-N -1 3 288.336 1.827 10 0 CDAEHM Cc1ncsc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119879596 374571096 /nfs/dbraw/zinc/57/10/96/374571096.db2.gz VOXBOCZEBHRXIN-UHFFFAOYSA-N -1 3 288.336 1.827 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCO[C@@H]2CCCC[C@H]21 ZINC000193590075 296222876 /nfs/dbraw/zinc/22/28/76/296222876.db2.gz HTZCNHRXAOAYMU-TZMCWYRMSA-N -1 3 277.320 1.881 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(C3CC3)C2)o1 ZINC000334322752 374900790 /nfs/dbraw/zinc/90/07/90/374900790.db2.gz YMNMVEPIFOHWOL-SNVBAGLBSA-N 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3 285.291 1.517 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CCC2CCCC2)c1 ZINC000331013999 376454824 /nfs/dbraw/zinc/45/48/24/376454824.db2.gz GAGBLECRDQWWMB-UHFFFAOYSA-N -1 3 271.386 1.762 10 0 CDAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c[nH]c(=O)s2)CS1 ZINC000632456154 377487938 /nfs/dbraw/zinc/48/79/38/377487938.db2.gz VWOLHORRAJHYJL-RITPCOANSA-N -1 3 280.396 1.021 10 0 CDAEHM O=S(=O)([N-][C@H]1CCCC12CC2)c1ccccn1 ZINC000632613898 377671134 /nfs/dbraw/zinc/67/11/34/377671134.db2.gz XDOIAVZFMHVLBQ-JTQLQIEISA-N -1 3 252.339 1.693 10 0 CDAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CC(C)(C)F)cn21 ZINC000632608014 377664436 /nfs/dbraw/zinc/66/44/36/377664436.db2.gz AVXWRORWKKRIGQ-SECBINFHSA-N -1 3 289.376 1.807 10 0 CDAEHM O=C(NCC[C@H](O)C(F)F)c1cc(=O)c2ccccc2[n-]1 ZINC000633995925 378923726 /nfs/dbraw/zinc/92/37/26/378923726.db2.gz WNRPFTGTBRJHJV-NSHDSACASA-N -1 3 296.273 1.274 10 0 CDAEHM CC1(C)CC[C@@H](C(=O)Nc2nnc(-c3ccco3)[n-]2)O1 ZINC000278602822 194064168 /nfs/dbraw/zinc/06/41/68/194064168.db2.gz 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/nfs/dbraw/zinc/67/39/08/379673908.db2.gz GGGPSUDRYQGVSV-JTQLQIEISA-N -1 3 264.277 1.364 10 0 CDAEHM Cc1cc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)nc(C)n1 ZINC000662212893 412936757 /nfs/dbraw/zinc/93/67/57/412936757.db2.gz RESUSRDLVAXHTI-RNCFNFMXSA-N -1 3 263.341 1.636 10 0 CDAEHM CCN1CCN(C[C@@H](C)CN=c2[n-]nc(C(C)C)o2)CC1 ZINC000450264550 251199810 /nfs/dbraw/zinc/19/98/10/251199810.db2.gz TYLGPYSARSCQAG-ZDUSSCGKSA-N -1 3 295.431 1.300 10 0 CDAEHM CC(=O)c1[n-]c(=N[C@@H]2CCC(=O)N(C)C2)sc1C ZINC000450343934 251232602 /nfs/dbraw/zinc/23/26/02/251232602.db2.gz FZMNYVXOXROTNC-SECBINFHSA-N -1 3 267.354 1.109 10 0 CDAEHM C[C@H]1OCC[C@@H]1S(=O)(=O)[N-]Cc1cnc(Cl)s1 ZINC000289266295 197280112 /nfs/dbraw/zinc/28/01/12/197280112.db2.gz AQDXTUJSUBBHGG-SVRRBLITSA-N -1 3 296.801 1.393 10 0 CDAEHM CC(C)n1cnc(NC(=O)c2cc(C(F)(F)F)n[n-]2)n1 ZINC000652726407 413034054 /nfs/dbraw/zinc/03/40/54/413034054.db2.gz WOIVAUHHMLYTPU-UHFFFAOYSA-N -1 3 288.233 1.853 10 0 CDAEHM CC(C)n1cnc(NC(=O)c2cc(C(F)(F)F)[n-]n2)n1 ZINC000652726407 413034059 /nfs/dbraw/zinc/03/40/59/413034059.db2.gz WOIVAUHHMLYTPU-UHFFFAOYSA-N -1 3 288.233 1.853 10 0 CDAEHM CCn1cc([N-]S(=O)(=O)N2CCC[C@@H]2C)cn1 ZINC000185191517 262302099 /nfs/dbraw/zinc/30/20/99/262302099.db2.gz JBAMDPNIZWUKFY-VIFPVBQESA-N -1 3 258.347 1.044 10 0 CDAEHM O=C([N-]c1nc2c(s1)C(=O)CCC2)c1cocn1 ZINC000104881779 390496941 /nfs/dbraw/zinc/49/69/41/390496941.db2.gz BBPITAPZRLNDHT-UHFFFAOYSA-N -1 3 263.278 1.902 10 0 CDAEHM Cc1cc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)n(C)n1 ZINC000119646798 390550495 /nfs/dbraw/zinc/55/04/95/390550495.db2.gz BOJJCDRMAOQQQG-UHFFFAOYSA-N -1 3 285.311 1.104 10 0 CDAEHM Cc1cc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)n(C)n1 ZINC000119646798 390550501 /nfs/dbraw/zinc/55/05/01/390550501.db2.gz BOJJCDRMAOQQQG-UHFFFAOYSA-N -1 3 285.311 1.104 10 0 CDAEHM Cc1ccncc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527500081 391023571 /nfs/dbraw/zinc/02/35/71/391023571.db2.gz SUCIKURPDBSWLC-LBPRGKRZSA-N -1 3 272.308 1.639 10 0 CDAEHM CCCC[C@@H](CN)NC(=O)N=c1ccc(OC(C)C)n[n-]1 ZINC000415545249 391162930 /nfs/dbraw/zinc/16/29/30/391162930.db2.gz JLNYGJPKXQGBNB-NSHDSACASA-N -1 3 295.387 1.325 10 0 CDAEHM C[C@@H]1C(=O)N(C)CN1Cc1cc([O-])ccc1Br ZINC000648075860 391187900 /nfs/dbraw/zinc/18/79/00/391187900.db2.gz SCTAEZLRENNEBF-MRVPVSSYSA-N -1 3 299.168 1.775 10 0 CDAEHM COc1cccc(-c2nc(Cn3cccn3)no2)c1[O-] ZINC000396155589 391226120 /nfs/dbraw/zinc/22/61/20/391226120.db2.gz XWUWURUHFUDLFZ-UHFFFAOYSA-N -1 3 272.264 1.696 10 0 CDAEHM O=C([O-])[C@H]1CN(CCOCC2CC2)C[C@H]1C(F)(F)F ZINC000345502385 391236947 /nfs/dbraw/zinc/23/69/47/391236947.db2.gz FYKCFDNALCMTIB-VHSXEESVSA-N -1 3 281.274 1.608 10 0 CDAEHM COc1c(Cl)cccc1[N-]S(=O)(=O)N1CCC1 ZINC000408062662 391203660 /nfs/dbraw/zinc/20/36/60/391203660.db2.gz QGWDPSRMTBOGSO-UHFFFAOYSA-N -1 3 276.745 1.711 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CCc2ccccc2)c1 ZINC000345606814 391298203 /nfs/dbraw/zinc/29/82/03/391298203.db2.gz CLXVGQXHMCABJO-UHFFFAOYSA-N -1 3 279.365 1.424 10 0 CDAEHM CN(C)c1ccncc1CNCc1ncccc1[O-] ZINC000355318129 391449341 /nfs/dbraw/zinc/44/93/41/391449341.db2.gz PRGAPJSPXOXQAW-UHFFFAOYSA-N -1 3 258.325 1.538 10 0 CDAEHM CCc1ccc(CN2CCC[C@H]2c2nc(=N)n(C)[n-]2)nc1 ZINC000411678418 391502793 /nfs/dbraw/zinc/50/27/93/391502793.db2.gz TYNZBRHECVSNCP-ZDUSSCGKSA-N -1 3 286.383 1.522 10 0 CDAEHM COc1nnc(NC(=O)[C@H]2CCC(=O)c3ccccc32)[n-]1 ZINC000285717069 391497779 /nfs/dbraw/zinc/49/77/79/391497779.db2.gz RYMCAHMLMUSEIR-JTQLQIEISA-N -1 3 286.291 1.512 10 0 CDAEHM COc1nc(NC(=O)[C@H]2CCC(=O)c3ccccc32)n[n-]1 ZINC000285717069 391497782 /nfs/dbraw/zinc/49/77/82/391497782.db2.gz RYMCAHMLMUSEIR-JTQLQIEISA-N -1 3 286.291 1.512 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H]2CCC(=O)c3ccccc32)n1 ZINC000285717069 391497785 /nfs/dbraw/zinc/49/77/85/391497785.db2.gz RYMCAHMLMUSEIR-JTQLQIEISA-N -1 3 286.291 1.512 10 0 CDAEHM CC(C)(C)OCCNC(=O)c1cccc2nn[n-]c21 ZINC000525863665 391719033 /nfs/dbraw/zinc/71/90/33/391719033.db2.gz NWUAGRLWDKEAHF-UHFFFAOYSA-N -1 3 262.313 1.503 10 0 CDAEHM CC(C)(C)OCCNC(=O)c1cccc2[n-]nnc21 ZINC000525863665 391719034 /nfs/dbraw/zinc/71/90/34/391719034.db2.gz NWUAGRLWDKEAHF-UHFFFAOYSA-N -1 3 262.313 1.503 10 0 CDAEHM CC(C)(C)OCCNC(=O)c1cccc2n[n-]nc21 ZINC000525863665 391719037 /nfs/dbraw/zinc/71/90/37/391719037.db2.gz NWUAGRLWDKEAHF-UHFFFAOYSA-N -1 3 262.313 1.503 10 0 CDAEHM Cc1ccccc1-n1cc(CNC2(C(=O)[O-])CC2)cn1 ZINC000647646216 391774758 /nfs/dbraw/zinc/77/47/58/391774758.db2.gz YQJBKEBHPHRDIB-UHFFFAOYSA-N -1 3 271.320 1.888 10 0 CDAEHM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)C(=O)[N-]c2cnns2)C1 ZINC000430013194 391889169 /nfs/dbraw/zinc/88/91/69/391889169.db2.gz UOGUVAGLOUHGGL-IWSPIJDZSA-N -1 3 282.369 1.370 10 0 CDAEHM Cc1ccccc1CC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000549729619 391958967 /nfs/dbraw/zinc/95/89/67/391958967.db2.gz YRKLIKVHASDGNE-ZDUSSCGKSA-N -1 3 299.378 1.442 10 0 CDAEHM O=C([N-]c1cnns1)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000429656077 392073378 /nfs/dbraw/zinc/07/33/78/392073378.db2.gz XEWLBBVTJRLYBR-VHSXEESVSA-N -1 3 288.332 1.149 10 0 CDAEHM CN(CCCC(=O)[O-])CC(=O)NCc1cccc(Cl)c1 ZINC000430671117 392038227 /nfs/dbraw/zinc/03/82/27/392038227.db2.gz WGJYVSVJWAQHMC-UHFFFAOYSA-N -1 3 298.770 1.753 10 0 CDAEHM O=C(NCc1ncccc1[O-])Nc1cncc(F)c1 ZINC000439638494 392103964 /nfs/dbraw/zinc/10/39/64/392103964.db2.gz WBFSHYPUTCAAMC-UHFFFAOYSA-N -1 3 262.244 1.643 10 0 CDAEHM Cn1cc(C(C)(C)C(=O)NCc2ccc([O-])c(F)c2)cn1 ZINC000345195797 392116219 /nfs/dbraw/zinc/11/62/19/392116219.db2.gz ISUJFORCGHKIKB-UHFFFAOYSA-N -1 3 291.326 1.859 10 0 CDAEHM CCN=c1[n-]c(C(=O)N(C)[C@H]2CC[C@H](O)CC2)cs1 ZINC000440403334 285473795 /nfs/dbraw/zinc/47/37/95/285473795.db2.gz ZMYIKCVKGWFOBR-MGCOHNPYSA-N -1 3 283.397 1.372 10 0 CDAEHM CCC[C@H](OCC)C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000529263892 392291855 /nfs/dbraw/zinc/29/18/55/392291855.db2.gz ANAIXVJOTYXXGJ-QWRGUYRKSA-N -1 3 295.387 1.096 10 0 CDAEHM CN1CCC(O[N-]C(=O)[C@H]2C[C@@]2(C)Br)CC1 ZINC000529287091 392300542 /nfs/dbraw/zinc/30/05/42/392300542.db2.gz UWGJDPCPTMDKNX-MWLCHTKSSA-N -1 3 291.189 1.302 10 0 CDAEHM C[C@]1(Br)C[C@H]1C(=O)N=c1cc2ccccn2[n-]1 ZINC000529358504 392359452 /nfs/dbraw/zinc/35/94/52/392359452.db2.gz HCIOOHOUWHUYQX-CABZTGNLSA-N -1 3 294.152 1.868 10 0 CDAEHM O=C1NCCC[C@@H]1Sc1n[n-]c(-c2ccccn2)n1 ZINC000488863918 392432525 /nfs/dbraw/zinc/43/25/25/392432525.db2.gz YLAJAMVCTLVRSE-VIFPVBQESA-N -1 3 275.337 1.237 10 0 CDAEHM O=C(c1csc(=NC2CC2)[n-]1)N1Cc2c[nH]nc2C1 ZINC000646347385 392586918 /nfs/dbraw/zinc/58/69/18/392586918.db2.gz KLFNXXHTMINXHN-UHFFFAOYSA-N -1 3 275.337 1.018 10 0 CDAEHM CC(=O)N1CCN(C(=O)c2cccc(C)c2[O-])[C@H](C)C1 ZINC000268771773 132063836 /nfs/dbraw/zinc/06/38/36/132063836.db2.gz IHAIBTBWPCEYGL-LLVKDONJSA-N -1 3 276.336 1.393 10 0 CDAEHM COc1ccc(C(=O)N2CCN(C(C)=O)C[C@@H]2C)c([O-])c1 ZINC000268802289 132068937 /nfs/dbraw/zinc/06/89/37/132068937.db2.gz PPEQHUGFWRSFNB-JTQLQIEISA-N -1 3 292.335 1.094 10 0 CDAEHM CC1(C)CC[C@H](C[N-]S(=O)(=O)Cc2ccon2)O1 ZINC000494340966 392979727 /nfs/dbraw/zinc/97/97/27/392979727.db2.gz MNRBHSCDGZNKTC-SNVBAGLBSA-N -1 3 274.342 1.052 10 0 CDAEHM CC(=O)c1ccc(C(=O)N=c2[nH][nH]cc2C2CC2)cc1[O-] ZINC000649227836 393116918 /nfs/dbraw/zinc/11/69/18/393116918.db2.gz PLXHAGAOQHKRKK-UHFFFAOYSA-N -1 3 285.303 1.870 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C(C)(C)N1CCOCC1 ZINC000649229491 393121128 /nfs/dbraw/zinc/12/11/28/393121128.db2.gz AIKVNIORVQJRJV-UHFFFAOYSA-N -1 3 294.399 1.313 10 0 CDAEHM CC[C@H](C(=O)N=c1[nH][n-]c(C(C)C)c1C)N(C)C ZINC000649231144 393128872 /nfs/dbraw/zinc/12/88/72/393128872.db2.gz JKRQQCFXGTYXKP-SNVBAGLBSA-N -1 3 252.362 1.542 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-]CCCCF ZINC000451568785 393338060 /nfs/dbraw/zinc/33/80/60/393338060.db2.gz QMNISPHPTINQMR-UHFFFAOYSA-N -1 3 276.333 1.508 10 0 CDAEHM CCCc1ncc(C[N-]S(=O)(=O)c2ccccc2N)o1 ZINC000451963017 393413170 /nfs/dbraw/zinc/41/31/70/393413170.db2.gz YDFDSEIEEGATSB-UHFFFAOYSA-N -1 3 295.364 1.688 10 0 CDAEHM Cc1ccc(-c2noc([C@H]3CCS(=O)(=O)[N-]3)n2)s1 ZINC000650623387 398104455 /nfs/dbraw/zinc/10/44/55/398104455.db2.gz PKDJMHUZIARQDS-SSDOTTSWSA-N -1 3 285.350 1.471 10 0 CDAEHM COc1nc(NC(=O)COC[C@@H](C)c2ccccc2)n[n-]1 ZINC000651634035 398131385 /nfs/dbraw/zinc/13/13/85/398131385.db2.gz LSBOEPCWHWVKES-SNVBAGLBSA-N -1 3 290.323 1.572 10 0 CDAEHM COc1nnc(NC(=O)COC[C@@H](C)c2ccccc2)[n-]1 ZINC000651634035 398131388 /nfs/dbraw/zinc/13/13/88/398131388.db2.gz LSBOEPCWHWVKES-SNVBAGLBSA-N -1 3 290.323 1.572 10 0 CDAEHM COc1n[n-]c(NC(=O)COC[C@@H](C)c2ccccc2)n1 ZINC000651634035 398131392 /nfs/dbraw/zinc/13/13/92/398131392.db2.gz LSBOEPCWHWVKES-SNVBAGLBSA-N -1 3 290.323 1.572 10 0 CDAEHM CCOc1cccnc1C(=O)[N-]c1nncs1 ZINC000176112474 148023230 /nfs/dbraw/zinc/02/32/30/148023230.db2.gz NSNDGAPSYWNPGF-UHFFFAOYSA-N -1 3 250.283 1.584 10 0 CDAEHM COc1nnc(NC(=O)c2cnn(-c3ccccc3C)c2)[n-]1 ZINC000182984809 148279851 /nfs/dbraw/zinc/27/98/51/148279851.db2.gz KQLAQVSWLMPDDX-UHFFFAOYSA-N -1 3 298.306 1.560 10 0 CDAEHM COc1nc(NC(=O)c2cnn(-c3ccccc3C)c2)n[n-]1 ZINC000182984809 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174008739 /nfs/dbraw/zinc/00/87/39/174008739.db2.gz CLAPETULZLESKY-LLVKDONJSA-N -1 3 256.346 1.184 10 0 CDAEHM CCN(CC)C(=O)[C@H](C)N1CCCC[C@@H]1CC(=O)[O-] ZINC000038028066 174014866 /nfs/dbraw/zinc/01/48/66/174014866.db2.gz VZSLGEUZZQWZEY-NWDGAFQWSA-N -1 3 270.373 1.573 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N(CCCO)C(C)C)c1 ZINC000038098549 174113472 /nfs/dbraw/zinc/11/34/72/174113472.db2.gz CTVKTPKSSLFMSL-UHFFFAOYSA-N -1 3 251.326 1.934 10 0 CDAEHM COCCC[N-]S(=O)(=O)c1cc(N)c(F)cc1Cl ZINC000040314587 174232592 /nfs/dbraw/zinc/23/25/92/174232592.db2.gz LACJULGHAUHTBI-UHFFFAOYSA-N -1 3 296.751 1.376 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(N)=S ZINC000040362977 174246888 /nfs/dbraw/zinc/24/68/88/174246888.db2.gz FIXPTYPANYKOBD-YFKPBYRVSA-N -1 3 298.842 1.745 10 0 CDAEHM CC(C)NCC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000040469552 174278228 /nfs/dbraw/zinc/27/82/28/174278228.db2.gz PLVNDCBPDXHUPQ-UHFFFAOYSA-N -1 3 270.716 1.975 10 0 CDAEHM CC(C)C[C@@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] 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CN1CCCN(C(=O)Nc2ccc(F)cc2C(=O)[O-])CC1 ZINC000040521056 174310138 /nfs/dbraw/zinc/31/01/38/174310138.db2.gz MVWAHAHNFNYYEQ-UHFFFAOYSA-N -1 3 295.314 1.693 10 0 CDAEHM CC(C)C[C@H](NC(=O)N(C)C1CCN(C)CC1)C(=O)[O-] ZINC000040549436 174326571 /nfs/dbraw/zinc/32/65/71/174326571.db2.gz HMIZIDMSDPUWFI-LBPRGKRZSA-N -1 3 285.388 1.221 10 0 CDAEHM CN(C(=O)N1CCCC[C@@H]1CC(=O)[O-])C1CCN(C)CC1 ZINC000040549576 174327023 /nfs/dbraw/zinc/32/70/23/174327023.db2.gz ACPHMSRSKKNPAV-CYBMUJFWSA-N -1 3 297.399 1.462 10 0 CDAEHM Nc1c([N-]c2nccs2)ncnc1N1CCCC1 ZINC000040724367 174386460 /nfs/dbraw/zinc/38/64/60/174386460.db2.gz YOFQIRHVUKBRPB-UHFFFAOYSA-N -1 3 262.342 1.859 10 0 CDAEHM CC[C@H](N)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000043413709 175037367 /nfs/dbraw/zinc/03/73/67/175037367.db2.gz BSIWBDYGNVZPON-JTQLQIEISA-N -1 3 256.346 1.265 10 0 CDAEHM C[C@@H](C(=O)N(CC(=O)[O-])C1CC1)N1[C@@H](C)CC[C@@H]1C ZINC000043559621 175065796 /nfs/dbraw/zinc/06/57/96/175065796.db2.gz OJQXRGPWSFKTMO-DCAQKATOSA-N -1 3 268.357 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LGTIDBYCYASHIO-UHFFFAOYSA-N -1 3 262.309 1.631 10 0 CDAEHM CC(C)C[C@H](CN(C)C)Nc1cnc(C(=O)[O-])cn1 ZINC000071181725 176057246 /nfs/dbraw/zinc/05/72/46/176057246.db2.gz QLKNBYKSBUWASP-SNVBAGLBSA-N -1 3 266.345 1.563 10 0 CDAEHM CC(C)[C@@H](CN(C)C)Nc1cnc(C(=O)[O-])cn1 ZINC000071181771 176057415 /nfs/dbraw/zinc/05/74/15/176057415.db2.gz JXVQPCXJJUZYPO-SNVBAGLBSA-N -1 3 252.318 1.173 10 0 CDAEHM C[C@]1(C(F)(F)F)[N-]C(=O)N(CC(=O)c2ccco2)C1=O ZINC000071196742 176076535 /nfs/dbraw/zinc/07/65/35/176076535.db2.gz HFULBHOEVBZXJH-JTQLQIEISA-N -1 3 290.197 1.335 10 0 CDAEHM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC000071208763 176081660 /nfs/dbraw/zinc/08/16/60/176081660.db2.gz SSABOUMLLYXDDH-VXNVDRBHSA-N -1 3 275.761 1.597 10 0 CDAEHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cnccc2NN)o1 ZINC000071220547 176087081 /nfs/dbraw/zinc/08/70/81/176087081.db2.gz NJVUWCCIVJAMTO-SECBINFHSA-N -1 3 296.352 1.308 10 0 CDAEHM CCc1nc(S(=O)(=O)[N-]c2ccccc2CNC)c[nH]1 ZINC000078697274 177373230 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523093325 /nfs/dbraw/zinc/09/33/25/523093325.db2.gz KUGHSICHSGELEO-CYBMUJFWSA-N -1 3 279.365 1.591 10 0 CDAEHM CN1CCCN(CCOc2ccc(CC(=O)[O-])cc2)CC1 ZINC000062756517 523808590 /nfs/dbraw/zinc/80/85/90/523808590.db2.gz HFQSNDHTUOGKEG-UHFFFAOYSA-N -1 3 292.379 1.330 10 0 CDAEHM C[C@H](CN1CCCC1)NC(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000049187458 524314194 /nfs/dbraw/zinc/31/41/94/524314194.db2.gz WPZHLNZRVCGSBS-CHWSQXEVSA-N -1 3 297.399 1.510 10 0 CDAEHM C[C@H](CN1CCCCC1)NC(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000049502781 524331642 /nfs/dbraw/zinc/33/16/42/524331642.db2.gz CEPWJBBYHXGBLY-VXGBXAGGSA-N -1 3 299.415 1.659 10 0 CDAEHM C[C@@H](CN1CCCC1)NC(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000049187460 524590449 /nfs/dbraw/zinc/59/04/49/524590449.db2.gz WPZHLNZRVCGSBS-STQMWFEESA-N -1 3 297.399 1.510 10 0 CDAEHM CS(=O)(=O)[N-]c1cc(NCc2cnccn2)ccc1F ZINC000054766243 525215746 /nfs/dbraw/zinc/21/57/46/525215746.db2.gz BHACWXSVYYLWKA-UHFFFAOYSA-N -1 3 296.327 1.599 10 0 CDAEHM 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ZINC000794737272 793788835 /nfs/dbraw/zinc/78/88/35/793788835.db2.gz XCRCAMYCRJCZBE-YRGPHNOISA-N -1 3 256.305 1.686 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCC2=C(CCC(=O)N2)C1 ZINC000855157797 793855538 /nfs/dbraw/zinc/85/55/38/793855538.db2.gz MAMSTFHPWAIOSH-UHFFFAOYSA-N -1 3 272.304 1.402 10 0 CDAEHM O=C(N[C@@H](CCO)C1CCCC1)c1ccc(O)cc1[O-] ZINC000725058729 793993906 /nfs/dbraw/zinc/99/39/06/793993906.db2.gz IFNDLCJTPMTEFQ-ZDUSSCGKSA-N -1 3 279.336 1.769 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCO[C@](C)(C(F)(F)F)C2)n1 ZINC000879503682 794786862 /nfs/dbraw/zinc/78/68/62/794786862.db2.gz KSHQHGZKEHQIDG-NSHDSACASA-N -1 3 291.273 1.644 10 0 CDAEHM COc1ccc(C(=O)N(C)[C@H]2CC[C@H]2OC)c([O-])c1 ZINC000724131371 794900106 /nfs/dbraw/zinc/90/01/06/794900106.db2.gz YLYBIQPIFHDHEQ-WCQYABFASA-N -1 3 265.309 1.650 10 0 CDAEHM CO[C@@H](CSCc1nc(C)cc(=O)[n-]1)[C@H]1CCOC1 ZINC000853769740 795137151 /nfs/dbraw/zinc/13/71/51/795137151.db2.gz HGIJDFDBDBOEPX-QWRGUYRKSA-N -1 3 284.381 1.775 10 0 CDAEHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@H]1C[C@@H]1C(F)F ZINC000913356633 795250496 /nfs/dbraw/zinc/25/04/96/795250496.db2.gz BZVIOHQRWHCLON-YUMQZZPRSA-N -1 3 279.250 1.706 10 0 CDAEHM O=C(Nc1ccccc1-c1nn[n-]n1)[C@H]1C[C@@H]1C(F)F ZINC000913356633 795250505 /nfs/dbraw/zinc/25/05/05/795250505.db2.gz BZVIOHQRWHCLON-YUMQZZPRSA-N -1 3 279.250 1.706 10 0 CDAEHM CC1(C)[C@H](N2CCOCC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000867451858 795310481 /nfs/dbraw/zinc/31/04/81/795310481.db2.gz MRXQPDNMZHIJBF-DTWKUNHWSA-N -1 3 280.290 1.164 10 0 CDAEHM O=Cc1ccccc1OCC(=O)NCc1ncccc1[O-] ZINC000792613840 795400071 /nfs/dbraw/zinc/40/00/71/795400071.db2.gz UDDANVMXKBPHJS-UHFFFAOYSA-N -1 3 286.287 1.295 10 0 CDAEHM CN1CC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000928556309 795607586 /nfs/dbraw/zinc/60/75/86/795607586.db2.gz NVTVQRBHJNGDRN-SECBINFHSA-N -1 3 288.269 1.845 10 0 CDAEHM O=S(=O)([N-][C@]12C[C@H]1COC21CCC1)c1ccco1 ZINC000922103042 796011718 /nfs/dbraw/zinc/01/17/18/796011718.db2.gz SOBXOLYFIOHFTA-JOYOIKCWSA-N -1 3 269.322 1.270 10 0 CDAEHM COc1cc(CCC(=O)[N-]OCC2CC2)cc(OC)c1O ZINC000854640622 796049571 /nfs/dbraw/zinc/04/95/71/796049571.db2.gz SZOSQKGWIXCBJL-UHFFFAOYSA-N -1 3 295.335 1.800 10 0 CDAEHM O=C(COC(=O)c1cnn[n-]1)C1CCCCCC1 ZINC000805604460 796079526 /nfs/dbraw/zinc/07/95/26/796079526.db2.gz KASUNJQCPKHAJX-UHFFFAOYSA-N -1 3 251.286 1.501 10 0 CDAEHM O=C(COC(=O)c1c[n-]nn1)C1CCCCCC1 ZINC000805604460 796079538 /nfs/dbraw/zinc/07/95/38/796079538.db2.gz KASUNJQCPKHAJX-UHFFFAOYSA-N -1 3 251.286 1.501 10 0 CDAEHM O=C(O[C@@H]1CCOC1=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924083964 796380722 /nfs/dbraw/zinc/38/07/22/796380722.db2.gz OVTNIHNEYPTBOF-MRVPVSSYSA-N -1 3 296.229 1.973 10 0 CDAEHM CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)c1ccc([O-])cc1 ZINC001633928372 1166459282 /nfs/dbraw/zinc/45/92/82/1166459282.db2.gz KWSMVUFVCWZYOF-GFCCVEGCSA-N -1 3 290.363 1.375 10 0 CDAEHM CC(=O)c1cccc(NC(=O)c2cc(CO)on2)c1[O-] ZINC001641848204 1167138982 /nfs/dbraw/zinc/13/89/82/1167138982.db2.gz IOSRVXUONMDGLE-UHFFFAOYSA-N -1 3 276.248 1.327 10 0 CDAEHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)[C@H]3C[C@@H]3C)C2)n1 ZINC001646996624 1168334489 /nfs/dbraw/zinc/33/44/89/1168334489.db2.gz ZHKLPUHVXGKKNH-WCQGTBRESA-N -1 3 290.367 1.232 10 0 CDAEHM CN(C)C[C@H](NCc1c(F)cccc1Cl)C(=O)[O-] ZINC001647415605 1168667348 /nfs/dbraw/zinc/66/73/48/1168667348.db2.gz ZEYIEIXHJJXNGL-NSHDSACASA-N -1 3 274.723 1.584 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1(C(C)(F)F)CC1 ZINC001417636303 894121598 /nfs/dbraw/zinc/12/15/98/894121598.db2.gz VQEVMCXCHBYPAA-QMMMGPOBSA-N -1 3 273.283 1.050 10 0 CDAEHM Cc1conc1C[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000708273866 897313180 /nfs/dbraw/zinc/31/31/80/897313180.db2.gz FEIFCJQUGWHPPB-UHFFFAOYSA-N -1 3 287.728 1.510 10 0 CDAEHM Cn1[n-]c(CN2CCC[C@@H](C3CCCC3)C2)nc1=O ZINC001176932811 914367554 /nfs/dbraw/zinc/36/75/54/914367554.db2.gz RQEBGMBRDMFHLP-GFCCVEGCSA-N -1 3 264.373 1.511 10 0 CDAEHM O=C(N[C@@H]1CCn2cncc21)c1ccc(O)cc1[O-] ZINC001647820081 1169063470 /nfs/dbraw/zinc/06/34/70/1169063470.db2.gz 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ZINC001136497555 931088027 /nfs/dbraw/zinc/08/80/27/931088027.db2.gz NTYLBBQMQPWYMU-UHFFFAOYSA-N -1 3 299.315 1.993 10 0 CDAEHM O=Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001136497555 931088038 /nfs/dbraw/zinc/08/80/38/931088038.db2.gz NTYLBBQMQPWYMU-UHFFFAOYSA-N -1 3 299.315 1.993 10 0 CDAEHM CCN1CCC(N(C)C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC001143628573 931509676 /nfs/dbraw/zinc/50/96/76/931509676.db2.gz SYMLUAFSMKHCPV-UHFFFAOYSA-N -1 3 290.363 1.518 10 0 CDAEHM O=S(=O)([N-]C/C=C/CO)c1cnc(Cl)c(Cl)c1 ZINC000718139718 931595433 /nfs/dbraw/zinc/59/54/33/931595433.db2.gz XFEZSBYHHVUGIE-OWOJBTEDSA-N -1 3 297.163 1.215 10 0 CDAEHM C[C@@H]1Cc2ccccc2N1CCNC(=O)c1cnncc1[O-] ZINC001411712329 931975003 /nfs/dbraw/zinc/97/50/03/931975003.db2.gz BBBJMUHIIXEHLX-LLVKDONJSA-N -1 3 298.346 1.363 10 0 CDAEHM Nc1ccc(C(=O)N2CC[C@]3(CC3(F)F)C2)c([O-])c1 ZINC000846700383 932115707 /nfs/dbraw/zinc/11/57/07/932115707.db2.gz CFGNXXHPTSEERG-LBPRGKRZSA-N -1 3 268.263 1.846 10 0 CDAEHM CC(C)CO[N-]C(=O)CC[C@H]1CC[C@@H](C2OCCO2)O1 ZINC001119524122 937728013 /nfs/dbraw/zinc/72/80/13/937728013.db2.gz DDSVZQMZBGBROI-NEPJUHHUSA-N -1 3 287.356 1.391 10 0 CDAEHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cccnc2F)O1 ZINC000688957394 934756924 /nfs/dbraw/zinc/75/69/24/934756924.db2.gz IOVGNLNVYWNHIQ-ZJUUUORDSA-N -1 3 288.344 1.457 10 0 CDAEHM c1[n-][nH]c2ncnc(=NC[C@H]3C[C@@H]3C3CCCC3)c1-2 ZINC001164380053 939468076 /nfs/dbraw/zinc/46/80/76/939468076.db2.gz RVTRZQSGIKFBFG-GHMZBOCLSA-N -1 3 257.341 1.965 10 0 CDAEHM COC(=O)Cc1nc(NC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)n[n-]1 ZINC001362008798 970769667 /nfs/dbraw/zinc/76/96/67/970769667.db2.gz UCLDLOSLSOUMBF-DTWKUNHWSA-N -1 3 296.371 1.777 10 0 CDAEHM COCCCC(=O)NCCCNC(=O)c1ccccc1[O-] ZINC001283184891 942848832 /nfs/dbraw/zinc/84/88/32/942848832.db2.gz BDIRCZFVWCIUGF-UHFFFAOYSA-N -1 3 294.351 1.055 10 0 CDAEHM O=C(CCCF)NCCCNC(=O)c1ccccc1[O-] ZINC001283186555 942850116 /nfs/dbraw/zinc/85/01/16/942850116.db2.gz VIJJAOCITHLQQL-UHFFFAOYSA-N -1 3 282.315 1.378 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)C(C)=Cc1ccccn1 ZINC001525803336 970989954 /nfs/dbraw/zinc/98/99/54/970989954.db2.gz UPQKEUDJWKVCDP-VQHVLOKHSA-N -1 3 286.291 1.633 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)C(C)=Cc1ccccn1 ZINC001525803336 970989959 /nfs/dbraw/zinc/98/99/59/970989959.db2.gz UPQKEUDJWKVCDP-VQHVLOKHSA-N -1 3 286.291 1.633 10 0 CDAEHM C[C@@H](C[N-]C(=O)C(F)F)NC(=O)CC(F)(F)C(F)F ZINC001526320692 971046092 /nfs/dbraw/zinc/04/60/92/971046092.db2.gz IYXADDBONMXVOQ-BYPYZUCNSA-N -1 3 294.195 1.163 10 0 CDAEHM C[C@@H](NCc1ccn(Cc2ccccc2)n1)C(=O)[O-] ZINC000389664229 944178820 /nfs/dbraw/zinc/17/88/20/944178820.db2.gz LPQYXRSNDHKETO-LLVKDONJSA-N -1 3 259.309 1.494 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCCc1ccsc1 ZINC001362244208 971062356 /nfs/dbraw/zinc/06/23/56/971062356.db2.gz YEQYGBYBVSHJQI-LBPRGKRZSA-N -1 3 293.392 1.699 10 0 CDAEHM Cc1ccsc1CN[C@H](C(=O)[O-])[C@@H]1CCCO1 ZINC001261845837 946298785 /nfs/dbraw/zinc/29/87/85/946298785.db2.gz QGKXRFRUCFZCIH-ONGXEEELSA-N -1 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O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1c[n-]nn1 ZINC000108453175 349740476 /nfs/dbraw/zinc/74/04/76/349740476.db2.gz RWPQZOWLKLRVHI-NKWVEPMBSA-N -1 3 262.235 1.656 10 0 CDAEHM O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cnn[n-]1 ZINC000108453175 349740483 /nfs/dbraw/zinc/74/04/83/349740483.db2.gz RWPQZOWLKLRVHI-NKWVEPMBSA-N -1 3 262.235 1.656 10 0 CDAEHM O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cn[n-]n1 ZINC000108453175 349740487 /nfs/dbraw/zinc/74/04/87/349740487.db2.gz RWPQZOWLKLRVHI-NKWVEPMBSA-N -1 3 262.235 1.656 10 0 CDAEHM O=c1ccc(-c2cc(Br)ccc2[O-])n[nH]1 ZINC000034080122 362051975 /nfs/dbraw/zinc/05/19/75/362051975.db2.gz XRFSPHMABFCEMU-UHFFFAOYSA-N -1 3 267.082 1.905 10 0 CDAEHM NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC000092599155 342418130 /nfs/dbraw/zinc/41/81/30/342418130.db2.gz STFIVZOMUWDFPB-ZYHUDNBSSA-N -1 3 276.336 1.556 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)c1 ZINC000618314722 342448877 /nfs/dbraw/zinc/44/88/77/342448877.db2.gz KXCPJXQVINLCIT-MNOVXSKESA-N -1 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263.337 1.760 10 0 CDAEHM O=C(Nc1ccc2nccn2c1)c1ccc(O)cc1[O-] ZINC000606198443 344982803 /nfs/dbraw/zinc/98/28/03/344982803.db2.gz BGEBTYPQMCZDRP-UHFFFAOYSA-N -1 3 269.260 1.998 10 0 CDAEHM COc1cccc(C(=O)N[C@H]2COCC2(C)C)c1[O-] ZINC000313057721 260241643 /nfs/dbraw/zinc/24/16/43/260241643.db2.gz KUPFYHLQLRZLIC-NSHDSACASA-N -1 3 265.309 1.556 10 0 CDAEHM CS(=O)(=O)CC1(CCNC(=O)c2ccccc2[O-])CC1 ZINC000617184741 344988893 /nfs/dbraw/zinc/98/88/93/344988893.db2.gz FEUOJBFQLJAGPR-UHFFFAOYSA-N -1 3 297.376 1.337 10 0 CDAEHM Cc1ccc(C(=O)N[C@@H](CO)C2CCC2)c([O-])c1C ZINC000617310377 345144577 /nfs/dbraw/zinc/14/45/77/345144577.db2.gz WCNCZVOFUGQMDO-ZDUSSCGKSA-N -1 3 263.337 1.900 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1CC2(C1)CCOCC2 ZINC000626398781 345312519 /nfs/dbraw/zinc/31/25/19/345312519.db2.gz RDRCJMJCXKEOBN-UHFFFAOYSA-N -1 3 261.321 1.953 10 0 CDAEHM C[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2[O-])c2ncnn21 ZINC000617442976 345539087 /nfs/dbraw/zinc/53/90/87/345539087.db2.gz TVMCXFNLBSHBQL-GMSGAONNSA-N 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CCN(C(=O)[C@H](N)CC(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000085816250 179180455 /nfs/dbraw/zinc/18/04/55/179180455.db2.gz LCBHDPQMCMPGDN-JOYOIKCWSA-N -1 3 282.315 1.537 10 0 CDAEHM CC1(C)CC[C@H]1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000612811247 347288931 /nfs/dbraw/zinc/28/89/31/347288931.db2.gz OVVRSGWFPVHUHX-JTQLQIEISA-N -1 3 261.325 1.503 10 0 CDAEHM CC(C)(C)n1nnc(C(=O)Nc2ccc([O-])cc2F)n1 ZINC000613332185 347688292 /nfs/dbraw/zinc/68/82/92/347688292.db2.gz SRLFTOKHVGCYQS-UHFFFAOYSA-N -1 3 279.275 1.525 10 0 CDAEHM CC(C)C(=O)C[N-]S(=O)(=O)Cc1ccccc1 ZINC000086516023 179305619 /nfs/dbraw/zinc/30/56/19/179305619.db2.gz SBZGVAARLUAGNT-UHFFFAOYSA-N -1 3 255.339 1.331 10 0 CDAEHM O=C([N-]c1cnns1)c1onc2c1CCCC2 ZINC000613762096 347887001 /nfs/dbraw/zinc/88/70/01/347887001.db2.gz GPRLYTOCMYUSFB-UHFFFAOYSA-N -1 3 250.283 1.657 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000619070354 348071536 /nfs/dbraw/zinc/07/15/36/348071536.db2.gz LZDHQQJZPBMDCI-CHWSQXEVSA-N -1 3 279.311 1.494 10 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265.313 1.221 10 0 CDAEHM CCO[C@@H]1C[C@@H](NC(=O)c2cccc([O-])c2)[C@H]1OC ZINC000275267237 365981462 /nfs/dbraw/zinc/98/14/62/365981462.db2.gz KWVIVYWANQHHKI-JHJVBQTASA-N -1 3 265.309 1.314 10 0 CDAEHM CC(C)Cn1ccnc1CNC(=O)c1cc(F)c[n-]c1=O ZINC000621881878 350830496 /nfs/dbraw/zinc/83/04/96/350830496.db2.gz ZKLQXKKNSPSSNX-UHFFFAOYSA-N -1 3 292.314 1.709 10 0 CDAEHM C[C@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C[C@@H]1O ZINC000621939774 350874953 /nfs/dbraw/zinc/87/49/53/350874953.db2.gz PMMWFAKRCJYMGS-CPCISQLKSA-N -1 3 289.253 1.864 10 0 CDAEHM Cc1nc(C)c(CCC(=O)N[C@@H](CO)C2CCC2)c(=O)[n-]1 ZINC000622136092 351029312 /nfs/dbraw/zinc/02/93/12/351029312.db2.gz UIGJDDUANAPCEY-ZDUSSCGKSA-N -1 3 293.367 1.009 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccnc(C)c2)c1 ZINC000451675187 363065738 /nfs/dbraw/zinc/06/57/38/363065738.db2.gz OZPOADBCQVOVEB-UHFFFAOYSA-N -1 3 280.353 1.085 10 0 CDAEHM CCc1cc(C(=O)N(CCOC)[C@H]2CCOC2)ccc1[O-] ZINC000487497271 366065424 /nfs/dbraw/zinc/06/54/24/366065424.db2.gz 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CCOC(=O)[C@H](CCOC)NC(=O)c1ccc([O-])c(C)c1 ZINC000281800033 195386880 /nfs/dbraw/zinc/38/68/80/195386880.db2.gz WEIAPZJWTVHMRG-LBPRGKRZSA-N -1 3 295.335 1.399 10 0 CDAEHM COC[C@H](C)NCc1nc(=O)c2sccc2[n-]1 ZINC000034938151 390405609 /nfs/dbraw/zinc/40/56/09/390405609.db2.gz CRGOGPXEIXIDTH-ZETCQYMHSA-N -1 3 253.327 1.521 10 0 CDAEHM CC1(OCC(=O)Nc2ccc(Cl)cc2[O-])CNC1 ZINC000648149833 390414499 /nfs/dbraw/zinc/41/44/99/390414499.db2.gz KVEIOAIBQJLOFR-UHFFFAOYSA-N -1 3 270.716 1.363 10 0 CDAEHM CO[C@H](CS(=O)(=O)[N-]c1c[nH]c(=O)cc1C)C1CC1 ZINC000647129029 390489505 /nfs/dbraw/zinc/48/95/05/390489505.db2.gz ZOTRRCRXBKNLBB-LLVKDONJSA-N -1 3 286.353 1.262 10 0 CDAEHM CCn1nc(C)cc1-c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000647417241 390958545 /nfs/dbraw/zinc/95/85/45/390958545.db2.gz RYAFWOWYTVHKRU-UHFFFAOYSA-N -1 3 272.268 1.424 10 0 CDAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@H]1CCCN1C1CC1 ZINC000527499869 391023458 /nfs/dbraw/zinc/02/34/58/391023458.db2.gz DLSUGHGNNGGKEV-CHWSQXEVSA-N -1 3 290.367 1.248 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CDAEHM CSC1(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)CCC1 ZINC000526960207 391236334 /nfs/dbraw/zinc/23/63/34/391236334.db2.gz NROOJMSRDKEDNY-SNVBAGLBSA-N -1 3 281.381 1.907 10 0 CDAEHM CCC(=O)N1CCN(C(=O)c2cccc(OC)c2[O-])C1 ZINC000425021884 391317537 /nfs/dbraw/zinc/31/75/37/391317537.db2.gz VOYMHMICRWAOOF-UHFFFAOYSA-N -1 3 278.308 1.053 10 0 CDAEHM CCc1nc(C[N-]S(=O)(=O)c2ccco2)cs1 ZINC000188677948 391501240 /nfs/dbraw/zinc/50/12/40/391501240.db2.gz MODRSPIODNOXOX-UHFFFAOYSA-N -1 3 272.351 1.777 10 0 CDAEHM CC(C)[C@@H]1CCC[C@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000186117203 391582997 /nfs/dbraw/zinc/58/29/97/391582997.db2.gz IEPZQCJXXRMOFV-WOPDTQHZSA-N -1 3 295.383 1.306 10 0 CDAEHM CC(C)[C@@H]1CCC[C@@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000186117238 391583180 /nfs/dbraw/zinc/58/31/80/391583180.db2.gz IEPZQCJXXRMOFV-UTUOFQBUSA-N -1 3 295.383 1.306 10 0 CDAEHM COc1cc(=NC(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)[n-]n1C ZINC000582156926 391671831 /nfs/dbraw/zinc/67/18/31/391671831.db2.gz 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/nfs/dbraw/zinc/10/59/75/392105975.db2.gz UZFWJJJXNINMAW-UHFFFAOYSA-N -1 3 282.290 1.477 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2cccnc2N(C)C)c[n-]1 ZINC000432427482 392218462 /nfs/dbraw/zinc/21/84/62/392218462.db2.gz YUXDFNWQUMZISZ-UHFFFAOYSA-N -1 3 288.307 1.515 10 0 CDAEHM O=C(Nc1nnc2nc[nH]n21)c1cc2c(cc1[O-])CCCC2 ZINC000646267094 392223937 /nfs/dbraw/zinc/22/39/37/392223937.db2.gz BLKLISZFNKNWIA-UHFFFAOYSA-N -1 3 298.306 1.289 10 0 CDAEHM O=C(Nc1n[nH]c2ncnn12)c1cc2c(cc1[O-])CCCC2 ZINC000646267094 392223939 /nfs/dbraw/zinc/22/39/39/392223939.db2.gz BLKLISZFNKNWIA-UHFFFAOYSA-N -1 3 298.306 1.289 10 0 CDAEHM CC[C@@H]1C[C@H](NC(=O)c2c([O-])cccc2O)CCO1 ZINC000422111198 392230377 /nfs/dbraw/zinc/23/03/77/392230377.db2.gz GSJIESFWQODZHY-NXEZZACHSA-N -1 3 265.309 1.785 10 0 CDAEHM COc1cc(C(=O)NC[C@@H]2CCCN2C)cc(Cl)c1[O-] ZINC000442642747 392274489 /nfs/dbraw/zinc/27/44/89/392274489.db2.gz CESXHRTVLLVUHJ-JTQLQIEISA-N -1 3 298.770 1.878 10 0 CDAEHM CCOC[C@H](C)NC(=O)c1ccc([O-])c(OC)c1 ZINC000442806627 392323629 /nfs/dbraw/zinc/32/36/29/392323629.db2.gz CDCPKTBZSFWZSG-VIFPVBQESA-N -1 3 253.298 1.556 10 0 CDAEHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC(OC(F)F)C1 ZINC000437590840 392466555 /nfs/dbraw/zinc/46/65/55/392466555.db2.gz NGEIYNBOCBDDSV-UHFFFAOYSA-N -1 3 294.257 1.592 10 0 CDAEHM COc1nnc(NC(=O)Cc2cccc(F)c2)[n-]1 ZINC000126820898 392593153 /nfs/dbraw/zinc/59/31/53/392593153.db2.gz MNAYJEREGCKAPW-UHFFFAOYSA-N -1 3 250.233 1.134 10 0 CDAEHM COc1nc(NC(=O)Cc2cccc(F)c2)n[n-]1 ZINC000126820898 392593158 /nfs/dbraw/zinc/59/31/58/392593158.db2.gz MNAYJEREGCKAPW-UHFFFAOYSA-N -1 3 250.233 1.134 10 0 CDAEHM COc1n[n-]c(NC(=O)Cc2cccc(F)c2)n1 ZINC000126820898 392593165 /nfs/dbraw/zinc/59/31/65/392593165.db2.gz MNAYJEREGCKAPW-UHFFFAOYSA-N -1 3 250.233 1.134 10 0 CDAEHM CC(C)(CNC(=O)c1cccc([O-])c1)[C@]1(O)CCOC1 ZINC000649098550 392754905 /nfs/dbraw/zinc/75/49/05/392754905.db2.gz LCVUGNPROKRAAD-HNNXBMFYSA-N -1 3 279.336 1.300 10 0 CDAEHM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cccc2nn[n-]c21 ZINC000649166358 392905484 /nfs/dbraw/zinc/90/54/84/392905484.db2.gz CFWNEDHHWUHHLL-LPEHRKFASA-N -1 3 256.309 1.876 10 0 CDAEHM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cccc2[n-]nnc21 ZINC000649166358 392905487 /nfs/dbraw/zinc/90/54/87/392905487.db2.gz CFWNEDHHWUHHLL-LPEHRKFASA-N -1 3 256.309 1.876 10 0 CDAEHM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cccc2n[n-]nc21 ZINC000649166358 392905489 /nfs/dbraw/zinc/90/54/89/392905489.db2.gz CFWNEDHHWUHHLL-LPEHRKFASA-N -1 3 256.309 1.876 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CCc2ncncc2C1 ZINC000649228434 393122784 /nfs/dbraw/zinc/12/27/84/393122784.db2.gz PHICUFXXEKKVPX-LLVKDONJSA-N -1 3 299.378 1.797 10 0 CDAEHM C[C@@H](CO)N(C)Cc1cccc([O-])c1Br ZINC000459566991 393235263 /nfs/dbraw/zinc/23/52/63/393235263.db2.gz VHVOVYKSZUJQPU-QMMMGPOBSA-N -1 3 274.158 1.967 10 0 CDAEHM COc1ccc(C(=O)NCC[C@H](C)[S@@](C)=O)c([O-])c1 ZINC000134012061 393236541 /nfs/dbraw/zinc/23/65/41/393236541.db2.gz SEWCRLVSWIHEBV-UGZDLDLSSA-N -1 3 285.365 1.288 10 0 CDAEHM CC(C)C[C@@H](NC(=O)[C@@H]1NCCCC1(C)C)C(=O)[O-] ZINC000232616946 393314350 /nfs/dbraw/zinc/31/43/50/393314350.db2.gz UODPGBGEJQLUQE-MNOVXSKESA-N -1 3 270.373 1.380 10 0 CDAEHM Cc1cccc(C(=O)N2CC3(C2)CCOCC3)c1[O-] ZINC000646009721 393472185 /nfs/dbraw/zinc/47/21/85/393472185.db2.gz KPTGIFTVMOMMQF-UHFFFAOYSA-N -1 3 261.321 1.953 10 0 CDAEHM Cc1cc(N2CCN(C)CC2)c2cc(C(=O)[O-])ccc2n1 ZINC000004226474 134647430 /nfs/dbraw/zinc/64/74/30/134647430.db2.gz UGIKDKOERSBUPB-UHFFFAOYSA-N -1 3 285.347 1.993 10 0 CDAEHM O=C([N-]c1cnns1)Nc1c[nH]nc1-c1ccccn1 ZINC000190782674 140131486 /nfs/dbraw/zinc/13/14/86/140131486.db2.gz UHYIXPACPHPMCJ-UHFFFAOYSA-N -1 3 287.308 1.967 10 0 CDAEHM CCc1nocc1CN1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000660471159 413150433 /nfs/dbraw/zinc/15/04/33/413150433.db2.gz RMGKNLZYVYSPBN-LLVKDONJSA-N -1 3 276.344 1.115 10 0 CDAEHM Cc1ccc(C(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)c([O-])c1 ZINC000650939418 397716202 /nfs/dbraw/zinc/71/62/02/397716202.db2.gz BBHLXXWOWFMIJL-TZMCWYRMSA-N -1 3 291.347 1.719 10 0 CDAEHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1)C(F)F ZINC000390284073 397913489 /nfs/dbraw/zinc/91/34/89/397913489.db2.gz LBFCFJNFFZPAIH-ZCFIWIBFSA-N -1 3 253.245 1.758 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CSC2(C)C)o1 ZINC000336381113 292184817 /nfs/dbraw/zinc/18/48/17/292184817.db2.gz PPSXZACXXIQQLI-QMMMGPOBSA-N -1 3 261.368 1.760 10 0 CDAEHM O=C(/C=C/c1cncc([O-])c1)N[C@H]1c2ccccc2C[C@@H]1O ZINC000305851786 149174012 /nfs/dbraw/zinc/17/40/12/149174012.db2.gz JUKZKFMQUQPJMW-KAWBWNIXSA-N -1 3 296.326 1.575 10 0 CDAEHM CN(C)Cc1ccsc1C(=O)NCc1ncccc1[O-] ZINC000352501820 155230133 /nfs/dbraw/zinc/23/01/33/155230133.db2.gz PZYHGDYYHYBSOH-UHFFFAOYSA-N -1 3 291.376 1.840 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3c2cnn3C)o1 ZINC000334189409 149342585 /nfs/dbraw/zinc/34/25/85/149342585.db2.gz GTYPDJOZWPAQFG-LLVKDONJSA-N -1 3 295.364 1.677 10 0 CDAEHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC(O)(C2CC2)C1 ZINC000334205928 149361409 /nfs/dbraw/zinc/36/14/09/149361409.db2.gz VNBKFIHWSZOGNF-UHFFFAOYSA-N 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290.254 1.367 10 0 CDAEHM COc1n[n-]c(NC(=O)C2=Cc3cc(F)ccc3OC2)n1 ZINC000352647129 155322930 /nfs/dbraw/zinc/32/29/30/155322930.db2.gz OFZUYIVCZDYRHY-UHFFFAOYSA-N -1 3 290.254 1.367 10 0 CDAEHM COC(=O)c1cc(C(=O)Nc2cccc(N(C)C)n2)c[n-]1 ZINC000346201193 153094704 /nfs/dbraw/zinc/09/47/04/153094704.db2.gz URNCGUQNZRESAP-UHFFFAOYSA-N -1 3 288.307 1.515 10 0 CDAEHM COC(=O)c1ccc(CNCc2ncccc2[O-])o1 ZINC000349276591 154079768 /nfs/dbraw/zinc/07/97/68/154079768.db2.gz KFLMFJMARKRQNY-UHFFFAOYSA-N -1 3 262.265 1.457 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(OC(C)C)nc2)[n-]1 ZINC000355607553 157142766 /nfs/dbraw/zinc/14/27/66/157142766.db2.gz PGJWUYBQNQVKLM-UHFFFAOYSA-N -1 3 277.284 1.248 10 0 CDAEHM COc1nc(NC(=O)c2ccc(OC(C)C)nc2)n[n-]1 ZINC000355607553 157142768 /nfs/dbraw/zinc/14/27/68/157142768.db2.gz PGJWUYBQNQVKLM-UHFFFAOYSA-N -1 3 277.284 1.248 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(OC(C)C)nc2)n1 ZINC000355607553 157142770 /nfs/dbraw/zinc/14/27/70/157142770.db2.gz PGJWUYBQNQVKLM-UHFFFAOYSA-N -1 3 277.284 1.248 10 0 CDAEHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000355621765 157149719 /nfs/dbraw/zinc/14/97/19/157149719.db2.gz SOXAROKYJZSGLA-UWVGGRQHSA-N -1 3 269.370 1.154 10 0 CDAEHM CC[C@H](C(=O)NC1(c2nnn[n-]2)CCCC1)N(CC)CC ZINC000359785693 158376357 /nfs/dbraw/zinc/37/63/57/158376357.db2.gz CFJAZDWQMQRCGJ-LLVKDONJSA-N -1 3 294.403 1.206 10 0 CDAEHM CC[C@H](C(=O)NC1(c2nn[n-]n2)CCCC1)N(CC)CC ZINC000359785693 158376359 /nfs/dbraw/zinc/37/63/59/158376359.db2.gz CFJAZDWQMQRCGJ-LLVKDONJSA-N -1 3 294.403 1.206 10 0 CDAEHM CCCN(C)S(=O)(=O)[N-]c1cccc2c1OCCC2=O ZINC000371603565 160031877 /nfs/dbraw/zinc/03/18/77/160031877.db2.gz ZZLAJGAHTSWRLL-UHFFFAOYSA-N -1 3 298.364 1.650 10 0 CDAEHM CC[C@H]1CCCCN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000407987834 160676356 /nfs/dbraw/zinc/67/63/56/160676356.db2.gz ROLUGJAVVBDGBB-JTQLQIEISA-N -1 3 278.356 1.653 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000284457235 196061318 /nfs/dbraw/zinc/06/13/18/196061318.db2.gz 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/nfs/dbraw/zinc/17/44/37/172174437.db2.gz QHEKXMHFQWQANN-NEPJUHHUSA-N -1 3 270.373 1.476 10 0 CDAEHM CO[C@H](CN1C[C@@H](C)O[C@@H](C(=O)[O-])C1)C1CCCC1 ZINC000656756477 413633092 /nfs/dbraw/zinc/63/30/92/413633092.db2.gz LNWPSDUZWXSRPS-RAIGVLPGSA-N -1 3 271.357 1.366 10 0 CDAEHM CO[C@H](c1nc(-c2cc(=O)[n-]cn2)no1)C1CCC1 ZINC000664910318 413728842 /nfs/dbraw/zinc/72/88/42/413728842.db2.gz DCDISNPUXYKBLE-JTQLQIEISA-N -1 3 262.269 1.720 10 0 CDAEHM Cc1ccc([O-])c(CN[C@@H](c2nncn2C)C(C)C)n1 ZINC000285467969 196294124 /nfs/dbraw/zinc/29/41/24/196294124.db2.gz KFBIOEVYGNPAQA-CYBMUJFWSA-N -1 3 275.356 1.711 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-][C@H]2C[C@H](C)n3ncnc32)s1 ZINC000657069306 413892253 /nfs/dbraw/zinc/89/22/53/413892253.db2.gz VMTHLAUMFHNIJF-XPUUQOCRSA-N -1 3 299.381 1.027 10 0 CDAEHM C[C@@H](C(=O)NC[C@H](C(=O)[O-])C1CCC1)N1CCCCCC1 ZINC000663152196 414006896 /nfs/dbraw/zinc/00/68/96/414006896.db2.gz ISRJUDUINHXJJP-JSGCOSHPSA-N -1 3 296.411 1.868 10 0 CDAEHM 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271.361 1.023 10 0 CDAEHM NN=c1s[n-]nc1Cn1cc(C(F)(F)F)ccc1=O ZINC000071212085 176083882 /nfs/dbraw/zinc/08/38/82/176083882.db2.gz SELVABYYDLVNPW-UHFFFAOYSA-N -1 3 291.258 1.053 10 0 CDAEHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cnccc2NN)o1 ZINC000071220548 176087187 /nfs/dbraw/zinc/08/71/87/176087187.db2.gz NJVUWCCIVJAMTO-VIFPVBQESA-N -1 3 296.352 1.308 10 0 CDAEHM CNC(=O)[C@@H]1CCCCN1CCCCCC(=O)[O-] ZINC000071286427 176109591 /nfs/dbraw/zinc/10/95/91/176109591.db2.gz JUEJVYRJBGCLOP-NSHDSACASA-N -1 3 256.346 1.232 10 0 CDAEHM CO[C@H]1CN[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000071392111 176148785 /nfs/dbraw/zinc/14/87/85/176148785.db2.gz IMPFJMUPPYFPFV-LDYMZIIASA-N -1 3 298.726 1.354 10 0 CDAEHM Nc1cc(F)cc(S(=O)(=O)[N-]CCC(F)(F)F)c1 ZINC000071403147 176154830 /nfs/dbraw/zinc/15/48/30/176154830.db2.gz YSXXNYDZOXIDOM-UHFFFAOYSA-N -1 3 286.250 1.639 10 0 CDAEHM CCN1CCN(C[C@H](CC(=O)[O-])c2ccc[nH]2)CC1 ZINC000076681415 177058762 /nfs/dbraw/zinc/05/87/62/177058762.db2.gz 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/nfs/dbraw/zinc/93/86/78/423938678.db2.gz NCPSBERZVNPBKN-SECBINFHSA-N -1 3 252.318 1.113 10 0 CDAEHM COCC1(CNC(=O)c2c[n-]nc2-c2ccccn2)CC1 ZINC000655252551 424166567 /nfs/dbraw/zinc/16/65/67/424166567.db2.gz PWSUPMXERBHQHC-UHFFFAOYSA-N -1 3 286.335 1.628 10 0 CDAEHM COc1cc(F)c(S(=O)(=O)[N-]C2CC2)cc1OC ZINC000048299744 424178720 /nfs/dbraw/zinc/17/87/20/424178720.db2.gz JBOAKKAWKRMFOV-UHFFFAOYSA-N -1 3 275.301 1.284 10 0 CDAEHM CCc1ncc(S(=O)(=O)[N-]CC2(COC)CC2)s1 ZINC000655639354 424244777 /nfs/dbraw/zinc/24/47/77/424244777.db2.gz JQDIKONVDOXKAH-UHFFFAOYSA-N -1 3 290.410 1.410 10 0 CDAEHM COc1cc(=NC(=O)NCC(C(C)C)C(C)C)[n-]n1C ZINC000519299811 265389088 /nfs/dbraw/zinc/38/90/88/265389088.db2.gz TUKDEWJFXUUYHM-UHFFFAOYSA-N -1 3 282.388 1.900 10 0 CDAEHM CN1C[C@H]2CCN(C(=O)c3cc(F)cc(Cl)c3[O-])[C@@H]2C1 ZINC000650321844 424586921 /nfs/dbraw/zinc/58/69/21/424586921.db2.gz DLBCLWLOKQPRRM-PRHODGIISA-N -1 3 298.745 1.961 10 0 CDAEHM CCC(C)(C)CC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000651978983 424611092 /nfs/dbraw/zinc/61/10/92/424611092.db2.gz QKRXCUMRLOQJJU-JTQLQIEISA-N -1 3 279.388 1.717 10 0 CDAEHM Cc1ccc([O-])c([C@H]2NC(=O)c3ccccc3N2C)n1 ZINC000103501644 270234839 /nfs/dbraw/zinc/23/48/39/270234839.db2.gz QJKMBPJWTHIYSA-AWEZNQCLSA-N -1 3 269.304 1.974 10 0 CDAEHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2C[C@H]2C)c([O-])c1 ZINC000171187683 270243789 /nfs/dbraw/zinc/24/37/89/270243789.db2.gz CLPYKRAFUAXNBB-ZYHUDNBSSA-N -1 3 276.336 1.345 10 0 CDAEHM Cc1cc(C(=O)N[C@@]23C[C@@H]2COC3(C)C)ccc1[O-] ZINC000529788767 271040639 /nfs/dbraw/zinc/04/06/39/271040639.db2.gz AUCCRWLSPLIXAB-ABAIWWIYSA-N -1 3 261.321 1.998 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000530067964 271094732 /nfs/dbraw/zinc/09/47/32/271094732.db2.gz MSNABCOQATYBDR-QZXWKGOOSA-N -1 3 295.360 1.223 10 0 CDAEHM CO[C@H](CN1CCc2occc2[C@H]1C(=O)[O-])C1CC1 ZINC000530164266 271120568 /nfs/dbraw/zinc/12/05/68/271120568.db2.gz JJTHAYYRENEFOG-OLZOCXBDSA-N -1 3 265.309 1.688 10 0 CDAEHM 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281.319 1.889 10 0 CDAEHM COc1cc(=NC(=O)c2ccc(OC(C)C)nc2)[n-]n1C ZINC000547495464 289780988 /nfs/dbraw/zinc/78/09/88/289780988.db2.gz ZNSDRGFKUDTDCV-UHFFFAOYSA-N -1 3 290.323 1.285 10 0 CDAEHM COc1cc(=NC(=O)[C@H]2C[C@H]2c2sccc2C)[n-]n1C ZINC000548143884 289850033 /nfs/dbraw/zinc/85/00/33/289850033.db2.gz REJFTSIJABFQCS-ZJUUUORDSA-N -1 3 291.376 1.963 10 0 CDAEHM CC[C@@H]1C[C@@H](C)CN1C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000548493942 289895246 /nfs/dbraw/zinc/89/52/46/289895246.db2.gz WRWHNENHYKJPDY-NXEZZACHSA-N -1 3 266.345 1.503 10 0 CDAEHM CC[C@@H]1C[C@H](C)CN1C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000548493944 289895292 /nfs/dbraw/zinc/89/52/92/289895292.db2.gz WRWHNENHYKJPDY-VHSXEESVSA-N -1 3 266.345 1.503 10 0 CDAEHM CCCCO[C@H](C)C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000550109683 289982109 /nfs/dbraw/zinc/98/21/09/289982109.db2.gz FJWFGEWPIIBVLQ-MNOVXSKESA-N -1 3 295.387 1.096 10 0 CDAEHM CCc1ncnc(CC)c1C(=O)N=c1cc2ccccn2[n-]1 ZINC000552113458 290051293 /nfs/dbraw/zinc/05/12/93/290051293.db2.gz 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1.359 10 0 CDAEHM CC(=O)c1cccc(NC(=O)c2ccnnc2C)c1[O-] ZINC001141649494 936915408 /nfs/dbraw/zinc/91/54/08/936915408.db2.gz OMURHUULVGJMNP-UHFFFAOYSA-N -1 3 271.276 1.946 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC2(C)C)nn1 ZINC000867314435 925693043 /nfs/dbraw/zinc/69/30/43/925693043.db2.gz WVJIMICEKSKTIC-NSHDSACASA-N -1 3 283.397 1.890 10 0 CDAEHM CC(C)CCC(=O)NCCC[C@@H](C)NC(=O)c1cn[n-]n1 ZINC001487517795 925950380 /nfs/dbraw/zinc/95/03/80/925950380.db2.gz QCIVSSLJWKRVFF-LLVKDONJSA-N -1 3 295.387 1.256 10 0 CDAEHM O=C([N-]OCC(F)F)c1c(F)cncc1Br ZINC000867408427 926422618 /nfs/dbraw/zinc/42/26/18/926422618.db2.gz DFKKOLIKQVWIFF-UHFFFAOYSA-N -1 3 299.046 1.910 10 0 CDAEHM C[C@@]12COC[C@H]1CN(CC(=O)[N-]OCc1ccccc1)C2 ZINC000852534586 927811078 /nfs/dbraw/zinc/81/10/78/927811078.db2.gz NHUKXEGBWASCOF-GDBMZVCRSA-N -1 3 290.363 1.203 10 0 CDAEHM CCC(F)(F)C(=O)[N-]Cc1cnc(Br)cn1 ZINC000854351211 928192962 /nfs/dbraw/zinc/19/29/62/928192962.db2.gz OMKJAWBWDBRTDD-UHFFFAOYSA-N -1 3 294.099 1.901 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOC(C)(C)C2)nn1 ZINC000867009501 928453204 /nfs/dbraw/zinc/45/32/04/928453204.db2.gz WDAZUNNPOCEKJL-SNVBAGLBSA-N -1 3 285.369 1.021 10 0 CDAEHM C[C@@]12COC[C@H]1CN(C(=O)c1cc3c(cc1[O-])OCO3)C2 ZINC000855835383 928493120 /nfs/dbraw/zinc/49/31/20/928493120.db2.gz KCDBQSXMWMUFSX-RFAUZJTJSA-N -1 3 291.303 1.229 10 0 CDAEHM CC(=O)[C@@H](C)CCCCC(=O)[N-]OCCN1CCCC1=O ZINC000856040831 928532298 /nfs/dbraw/zinc/53/22/98/928532298.db2.gz HSTCREVWTGIVSQ-LBPRGKRZSA-N -1 3 298.383 1.442 10 0 CDAEHM Cc1nc(C)c(CC(=O)NC[C@H]2C(C)(C)C2(F)F)c(=O)[n-]1 ZINC000856070774 928537866 /nfs/dbraw/zinc/53/78/66/928537866.db2.gz GTWORGPTRMIZOU-JTQLQIEISA-N -1 3 299.321 1.749 10 0 CDAEHM CCn1ncc(C[N-]C(=O)C(F)(F)c2ccccc2F)n1 ZINC000862382679 929407456 /nfs/dbraw/zinc/40/74/56/929407456.db2.gz WJGOPCCBWTXEDO-UHFFFAOYSA-N -1 3 298.268 1.845 10 0 CDAEHM CC(=O)OCC(C)(C)CC(=O)[N-]OC[C@@H]1CCOC1 ZINC000788573433 929556259 /nfs/dbraw/zinc/55/62/59/929556259.db2.gz FAJHHKRMSBOOSF-LLVKDONJSA-N -1 3 273.329 1.050 10 0 CDAEHM C[C@@H](NC(=O)[C@H](C)OC(=O)c1cnn[n-]1)c1ccccc1 ZINC000805606991 930181398 /nfs/dbraw/zinc/18/13/98/930181398.db2.gz PVSPSRPPGKTRCG-ZJUUUORDSA-N -1 3 288.307 1.227 10 0 CDAEHM C[C@@H](NC(=O)[C@H](C)OC(=O)c1c[n-]nn1)c1ccccc1 ZINC000805606991 930181406 /nfs/dbraw/zinc/18/14/06/930181406.db2.gz PVSPSRPPGKTRCG-ZJUUUORDSA-N -1 3 288.307 1.227 10 0 CDAEHM CC(=O)CCC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000800087522 930403911 /nfs/dbraw/zinc/40/39/11/930403911.db2.gz NKEQEMBWQPCWDT-UHFFFAOYSA-N -1 3 290.275 1.855 10 0 CDAEHM COc1cccc([O-])c1C(=O)N[C@@H](CO)C1CCC1 ZINC000717674290 931067804 /nfs/dbraw/zinc/06/78/04/931067804.db2.gz YESOCCWLVISGLJ-JTQLQIEISA-N -1 3 265.309 1.292 10 0 CDAEHM COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000822940366 931225314 /nfs/dbraw/zinc/22/53/14/931225314.db2.gz XJFPMKXAHRIYKC-WDEREUQCSA-N -1 3 291.303 1.733 10 0 CDAEHM O=C(OC[C@@H]1CN(C2CC2)C(=O)O1)c1ccc([O-])cc1 ZINC000845071831 931754414 /nfs/dbraw/zinc/75/44/14/931754414.db2.gz JEXXFPFIMLGXGG-LBPRGKRZSA-N -1 3 277.276 1.532 10 0 CDAEHM O=C(Cc1cn2c(n1)CCCC2)[N-]OC/C=C/Cl ZINC000846193244 931992963 /nfs/dbraw/zinc/99/29/63/931992963.db2.gz LRFVNUDLWZVYQC-HWKANZROSA-N -1 3 269.732 1.562 10 0 CDAEHM CC(C)OC(=O)CC[C@H](C)NC(=O)c1cnncc1[O-] ZINC001412090338 932262177 /nfs/dbraw/zinc/26/21/77/932262177.db2.gz KITDNJJBDUEIRM-VIFPVBQESA-N -1 3 281.312 1.032 10 0 CDAEHM C[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)C1(Cl)CC1 ZINC000926812765 933025356 /nfs/dbraw/zinc/02/53/56/933025356.db2.gz LNMIFBGURAISEP-MRVPVSSYSA-N -1 3 283.759 1.504 10 0 CDAEHM CCN(OC)C(=O)CNC(=O)c1cc(SC)ccc1[O-] ZINC001118746926 937661974 /nfs/dbraw/zinc/66/19/74/937661974.db2.gz SKJKHSJLBOQLBE-UHFFFAOYSA-N -1 3 298.364 1.254 10 0 CDAEHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cccnc2F)[C@H](C)O1 ZINC000686394370 934117567 /nfs/dbraw/zinc/11/75/67/934117567.db2.gz UVAUMHWAXQRWFG-KXUCPTDWSA-N -1 3 288.344 1.313 10 0 CDAEHM CCOC1CC2(C[C@H]2NC(=O)c2c([O-])cccc2O)C1 ZINC000721159639 935318666 /nfs/dbraw/zinc/31/86/66/935318666.db2.gz MUDGQGJJWAVSTI-YAKODHLKSA-N -1 3 277.320 1.785 10 0 CDAEHM O=C([N-]c1cncnc1-n1cccn1)c1nnc(C2CC2)o1 ZINC001163775924 939329111 /nfs/dbraw/zinc/32/91/11/939329111.db2.gz VKDFDQKBIKUZEZ-UHFFFAOYSA-N -1 3 297.278 1.175 10 0 CDAEHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC[C@@]2(CC2(F)F)C1 ZINC001649872302 1169452461 /nfs/dbraw/zinc/45/24/61/1169452461.db2.gz UEPQEFFGYYPJJN-CYBMUJFWSA-N -1 3 295.289 1.931 10 0 CDAEHM Cn1nc(C(=O)[N-]c2c(F)ccnc2F)cc1Cl ZINC001524065368 970793769 /nfs/dbraw/zinc/79/37/69/970793769.db2.gz ROYGZJNIGMLLKJ-UHFFFAOYSA-N -1 3 272.642 1.999 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001362066147 970839635 /nfs/dbraw/zinc/83/96/35/970839635.db2.gz VKHIQKXTDBLCEJ-VHSXEESVSA-N -1 3 293.323 1.197 10 0 CDAEHM C[C@@H](Cc1ccc(O)cc1)NC(=O)c1cnncc1[O-] ZINC001362234881 971052661 /nfs/dbraw/zinc/05/26/61/971052661.db2.gz OIPITBKWYRWWDO-VIFPVBQESA-N -1 3 273.292 1.249 10 0 CDAEHM COCC1(C(=O)NCCc2c(C)[n-][nH]c2=O)CCCCC1 ZINC001362242601 971061622 /nfs/dbraw/zinc/06/16/22/971061622.db2.gz KSOQBUYCXGXWNM-LBPRGKRZSA-N -1 3 295.383 1.212 10 0 CDAEHM COC(=O)/C=C\c1ccc(C(=O)[N-]c2nc(C)ns2)o1 ZINC001265552601 944426436 /nfs/dbraw/zinc/42/64/36/944426436.db2.gz PNPSCFIOBSBTRU-XQRVVYSFSA-N -1 3 293.304 1.878 10 0 CDAEHM O=C(Nc1nnn[n-]1)c1ccc(NC2=NCCC2)cc1 ZINC001362335835 971166765 /nfs/dbraw/zinc/16/67/65/971166765.db2.gz HSWBWKWKHKGQGD-UHFFFAOYSA-N -1 3 271.284 1.056 10 0 CDAEHM COc1nnc(NC(=O)c2ccc3c(c2)COC(=O)N3)[n-]1 ZINC001362487100 971329247 /nfs/dbraw/zinc/32/92/47/971329247.db2.gz KACMHRIRLIXIQC-UHFFFAOYSA-N -1 3 289.251 1.128 10 0 CDAEHM COc1nc(NC(=O)c2ccc3c(c2)COC(=O)N3)n[n-]1 ZINC001362487100 971329251 /nfs/dbraw/zinc/32/92/51/971329251.db2.gz KACMHRIRLIXIQC-UHFFFAOYSA-N -1 3 289.251 1.128 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc3c(c2)COC(=O)N3)n1 ZINC001362487100 971329254 /nfs/dbraw/zinc/32/92/54/971329254.db2.gz KACMHRIRLIXIQC-UHFFFAOYSA-N -1 3 289.251 1.128 10 0 CDAEHM Cc1cc(CCC(=O)NCc2ccc([O-])c(F)c2)[nH]n1 ZINC001362515522 971361701 /nfs/dbraw/zinc/36/17/01/971361701.db2.gz AWAZYFWGVYDEAO-UHFFFAOYSA-N -1 3 277.299 1.812 10 0 CDAEHM O=C(c1cccc([O-])c1F)N1CCN(CCCF)CC1 ZINC001362593701 971436548 /nfs/dbraw/zinc/43/65/48/971436548.db2.gz BNHVVVHVCYQINQ-UHFFFAOYSA-N -1 3 284.306 1.649 10 0 CDAEHM C[C@@H](CO[C@H]1CCOC1)NCc1cccc(C(=O)[O-])n1 ZINC001650013396 1169605653 /nfs/dbraw/zinc/60/56/53/1169605653.db2.gz VLJCXWOJPCUZJQ-JQWIXIFHSA-N -1 3 280.324 1.063 10 0 CDAEHM COc1ccc(C(=O)N2CC[C@@H](c3ncccn3)C2)c([O-])c1 ZINC001362988183 971790797 /nfs/dbraw/zinc/79/07/97/971790797.db2.gz XKWATELLSIFRLT-LLVKDONJSA-N -1 3 299.330 1.821 10 0 CDAEHM C[C@@H](CNC(=O)c1ccccc1[O-])NC(=O)C1CC=CC1 ZINC001285718547 953603330 /nfs/dbraw/zinc/60/33/30/953603330.db2.gz SDBAYLPTKPGHDM-NSHDSACASA-N -1 3 288.347 1.593 10 0 CDAEHM CCc1ocnc1C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001363724786 953704831 /nfs/dbraw/zinc/70/48/31/953704831.db2.gz LXMUXPUPGJLQSD-UHFFFAOYSA-N -1 3 292.295 1.778 10 0 CDAEHM CCc1ocnc1C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001363724786 953704840 /nfs/dbraw/zinc/70/48/40/953704840.db2.gz LXMUXPUPGJLQSD-UHFFFAOYSA-N -1 3 292.295 1.778 10 0 CDAEHM CCOc1nnc(NC(=O)c2ccc(CO)c(F)c2)[n-]1 ZINC001363188735 971955903 /nfs/dbraw/zinc/95/59/03/971955903.db2.gz CBLMUNVUYBSKTF-UHFFFAOYSA-N -1 3 280.259 1.087 10 0 CDAEHM CCOc1nc(NC(=O)c2ccc(CO)c(F)c2)n[n-]1 ZINC001363188735 971955908 /nfs/dbraw/zinc/95/59/08/971955908.db2.gz CBLMUNVUYBSKTF-UHFFFAOYSA-N -1 3 280.259 1.087 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2ccc(CO)c(F)c2)n1 ZINC001363188735 971955915 /nfs/dbraw/zinc/95/59/15/971955915.db2.gz CBLMUNVUYBSKTF-UHFFFAOYSA-N -1 3 280.259 1.087 10 0 CDAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)Oc1cc(F)cc(Cl)c1 ZINC001287244252 953789726 /nfs/dbraw/zinc/78/97/26/953789726.db2.gz JSGQKZMHTMXFLA-UHFFFAOYSA-N -1 3 299.645 1.482 10 0 CDAEHM O=C(/C=C/Cn1cncn1)Nc1cc(Cl)ccc1[O-] ZINC001295350851 954648439 /nfs/dbraw/zinc/64/84/39/954648439.db2.gz LOFWFCJPLOJDMU-OWOJBTEDSA-N -1 3 278.699 1.832 10 0 CDAEHM CC[C@@H](N)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001327074594 954693335 /nfs/dbraw/zinc/69/33/35/954693335.db2.gz QHGCTFYWOHZTGC-IJLUTSLNSA-N -1 3 262.309 1.153 10 0 CDAEHM CC[C@@H](F)C(=O)Nc1[n-]nc2cc(C)n(CC)c(=O)c21 ZINC001364506714 954706291 /nfs/dbraw/zinc/70/62/91/954706291.db2.gz CHVKARBIFISGON-MRVPVSSYSA-N -1 3 280.303 1.740 10 0 CDAEHM O=C(N[C@]12CCC[C@H]1OCC2)c1cc(F)cc2n[n-]nc21 ZINC001364571962 954824097 /nfs/dbraw/zinc/82/40/97/954824097.db2.gz VJWXGJZBWGGGBW-RISCZKNCSA-N -1 3 290.298 1.538 10 0 CDAEHM CCC[C@H](OC)C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001363288248 972056733 /nfs/dbraw/zinc/05/67/33/972056733.db2.gz IXDXOKSZSFJWBA-LBPRGKRZSA-N -1 3 291.351 1.717 10 0 CDAEHM Nc1c(Cl)cccc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001301571224 955961797 /nfs/dbraw/zinc/96/17/97/955961797.db2.gz MKDCAWDWAYEWSN-MRVPVSSYSA-N -1 3 294.742 1.164 10 0 CDAEHM C[C@@H](CN(C)C(=O)C(F)F)NC(=O)c1ccccc1[O-] ZINC001424970054 957428358 /nfs/dbraw/zinc/42/83/58/957428358.db2.gz WFULFMRLDVOAMD-QMMMGPOBSA-N -1 3 286.278 1.234 10 0 CDAEHM Cc1nnc([C@H](C)N2CC[C@]3(C(=O)[O-])CCC[C@H]23)[nH]1 ZINC001332275686 957502353 /nfs/dbraw/zinc/50/23/53/957502353.db2.gz BDQXKLZKHMGWQY-GMOODISLSA-N -1 3 264.329 1.503 10 0 CDAEHM Cc1noc([C@H](C)N2CC[C@]3(C(=O)[O-])CCC[C@H]23)n1 ZINC001332279471 957503888 /nfs/dbraw/zinc/50/38/88/957503888.db2.gz VEILOARNZKNNPB-GMOODISLSA-N -1 3 265.313 1.768 10 0 CDAEHM O=C([O-])[C@@H](O)CNCc1ccccc1OCC1CC1 ZINC001332485981 957584378 /nfs/dbraw/zinc/58/43/78/957584378.db2.gz NWLHDKYOGAXQHE-LBPRGKRZSA-N -1 3 265.309 1.011 10 0 CDAEHM CCC(C)(C)CC(=O)N[C@@H](C)[C@H](C)NC(=O)c1cn[n-]n1 ZINC001426501853 957963712 /nfs/dbraw/zinc/96/37/12/957963712.db2.gz YQYGBJUPOYQDTE-UWVGGRQHSA-N -1 3 295.387 1.254 10 0 CDAEHM CCCn1cc(CN[C@H](C[C@H](C)CC)C(=O)[O-])nn1 ZINC001333125728 958091035 /nfs/dbraw/zinc/09/10/35/958091035.db2.gz WVEOFTLRUDYENR-ZYHUDNBSSA-N -1 3 268.361 1.667 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(-c3cnn(C)c3)cc2)[n-]1 ZINC001545818833 958478447 /nfs/dbraw/zinc/47/84/47/958478447.db2.gz QOSNGQCGMDRSDP-UHFFFAOYSA-N -1 3 298.306 1.466 10 0 CDAEHM COc1nc(NC(=O)c2ccc(-c3cnn(C)c3)cc2)n[n-]1 ZINC001545818833 958478457 /nfs/dbraw/zinc/47/84/57/958478457.db2.gz QOSNGQCGMDRSDP-UHFFFAOYSA-N -1 3 298.306 1.466 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(-c3cnn(C)c3)cc2)n1 ZINC001545818833 958478465 /nfs/dbraw/zinc/47/84/65/958478465.db2.gz QOSNGQCGMDRSDP-UHFFFAOYSA-N -1 3 298.306 1.466 10 0 CDAEHM c1ccc2nc(N3CCC(c4nnn[n-]4)CC3)cnc2c1 ZINC001333780472 958590928 /nfs/dbraw/zinc/59/09/28/958590928.db2.gz NDYCQGDBSAXOIE-UHFFFAOYSA-N -1 3 281.323 1.527 10 0 CDAEHM c1ccc2nc(N3CCC(c4nn[n-]n4)CC3)cnc2c1 ZINC001333780472 958590941 /nfs/dbraw/zinc/59/09/41/958590941.db2.gz NDYCQGDBSAXOIE-UHFFFAOYSA-N -1 3 281.323 1.527 10 0 CDAEHM Cc1nc(CN(C)C(=O)c2c[n-]c3ccccc3c2=O)no1 ZINC001319871443 958760563 /nfs/dbraw/zinc/76/05/63/958760563.db2.gz RBWOPEGMPNKYNV-UHFFFAOYSA-N -1 3 298.302 1.492 10 0 CDAEHM O=C(NCCc1ccc(O)c(CO)c1)c1ccccc1[O-] ZINC001434328978 961164806 /nfs/dbraw/zinc/16/48/06/961164806.db2.gz XRAUGBSYDPVHOE-UHFFFAOYSA-N -1 3 287.315 1.563 10 0 CDAEHM CC(C)OC(=O)c1cc(NC(=O)CCc2cn[nH]c2)[n-]n1 ZINC001420169608 962518228 /nfs/dbraw/zinc/51/82/28/962518228.db2.gz GJQIVAKPLHNMTH-UHFFFAOYSA-N -1 3 291.311 1.269 10 0 CDAEHM CC(C)OC(=O)c1cc(NC(=O)CCc2cn[nH]c2)n[n-]1 ZINC001420169608 962518261 /nfs/dbraw/zinc/51/82/61/962518261.db2.gz GJQIVAKPLHNMTH-UHFFFAOYSA-N -1 3 291.311 1.269 10 0 CDAEHM Cc1cc(C=O)c([O-])c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1 ZINC001556738144 965091600 /nfs/dbraw/zinc/09/16/00/965091600.db2.gz YHYYLZJKHKWERQ-SMDDNHRTSA-N -1 3 288.347 1.289 10 0 CDAEHM Cc1[nH]c2ccccc2c1CCNC(=O)c1cnncc1[O-] ZINC001442952967 965291068 /nfs/dbraw/zinc/29/10/68/965291068.db2.gz DDNIGJFXMYIBDO-UHFFFAOYSA-N -1 3 296.330 1.944 10 0 CDAEHM CO[C@]1(C(=O)[O-])CCN(Cc2cc(C)ccn2)C1 ZINC001348437324 965992569 /nfs/dbraw/zinc/99/25/69/965992569.db2.gz VWFZYPPXFSVGOQ-CYBMUJFWSA-N -1 3 250.298 1.066 10 0 CDAEHM CC(C)=CC[C@H](NCc1cn(C)nc1Cl)C(=O)[O-] ZINC001348502520 966029692 /nfs/dbraw/zinc/02/96/92/966029692.db2.gz JZAYMDPHHJNCRP-JTQLQIEISA-N -1 3 271.748 1.973 10 0 CDAEHM CCOCCO[N-]C(=O)C[C@@H]1OCc2ccccc21 ZINC000847753850 968077479 /nfs/dbraw/zinc/07/74/79/968077479.db2.gz LRRLXUPYJMUATK-ZDUSSCGKSA-N -1 3 265.309 1.732 10 0 CDAEHM CC[C@@H](C)C(=O)NC[C@@H]1CCN1C(=O)c1ccccc1[O-] ZINC001453106077 968242135 /nfs/dbraw/zinc/24/21/35/968242135.db2.gz MYZHQJNLVHRMCN-NEPJUHHUSA-N -1 3 290.363 1.769 10 0 CDAEHM CCN1CC[C@H]1CNC(=O)c1ncc2ccccc2c1[O-] ZINC001455187801 968648035 /nfs/dbraw/zinc/64/80/35/968648035.db2.gz LNSQGZKWFMXNMK-LBPRGKRZSA-N -1 3 285.347 1.764 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@](C)(CC)CO)c1 ZINC001528061559 968797098 /nfs/dbraw/zinc/79/70/98/968797098.db2.gz QEOVCLCWRGKJIW-HNNXBMFYSA-N -1 3 292.335 1.408 10 0 CDAEHM CCO[C@H](CC)C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001456379005 968954025 /nfs/dbraw/zinc/95/40/25/968954025.db2.gz 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O=C(NCC[C@@H]1CC1(F)F)c1cccc2n[n-]nc21 ZINC000623033658 342542143 /nfs/dbraw/zinc/54/21/43/342542143.db2.gz VMTYJBGEAXWFEY-SSDOTTSWSA-N -1 3 266.251 1.733 10 0 CDAEHM CCOC(=O)C(C)(C)[N-]S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000601335586 342555194 /nfs/dbraw/zinc/55/51/94/342555194.db2.gz VMVWFBNNXCHCHF-QMMMGPOBSA-N -1 3 299.339 1.293 10 0 CDAEHM Cc1cccc(C(C)C)c1NC(=O)[C@@H](N)CC(=O)[O-] ZINC000082572124 178109831 /nfs/dbraw/zinc/10/98/31/178109831.db2.gz QOPSRBYNOXKDTN-NSHDSACASA-N -1 3 264.325 1.859 10 0 CDAEHM COC(=O)c1sccc1S(=O)(=O)[N-]CC(C)(C)F ZINC000601476234 342566041 /nfs/dbraw/zinc/56/60/41/342566041.db2.gz KQAJWWBKBAPEQZ-UHFFFAOYSA-N -1 3 295.357 1.561 10 0 CDAEHM Cc1nc(CSc2nc3c(cnn3C)c(=O)[n-]2)co1 ZINC000629222119 361748596 /nfs/dbraw/zinc/74/85/96/361748596.db2.gz ZSTASCOQEFVLTR-UHFFFAOYSA-N -1 3 277.309 1.658 10 0 CDAEHM CCO[C@H](CS(=O)(=O)[N-]Cc1ncoc1C)C1CC1 ZINC000625095871 342030692 /nfs/dbraw/zinc/03/06/92/342030692.db2.gz YRNBKWAWBAOXIQ-GFCCVEGCSA-N -1 3 288.369 1.218 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCC(C)(C)O)c(F)c1F ZINC000625133554 342033800 /nfs/dbraw/zinc/03/38/00/342033800.db2.gz LBBHGEMQRMWWKV-UHFFFAOYSA-N -1 3 293.335 1.713 10 0 CDAEHM CCCCS(=O)(=O)[N-]C[C@H](n1cccn1)C(F)(F)F ZINC000625331415 342082242 /nfs/dbraw/zinc/08/22/42/342082242.db2.gz SGCDBOMXRQZEFG-VIFPVBQESA-N -1 3 299.318 1.706 10 0 CDAEHM CCN=c1[n-]c(C(=O)N(CC)[C@H]2CCCOC2)cs1 ZINC000616537917 342115095 /nfs/dbraw/zinc/11/50/95/342115095.db2.gz UUMNACFDXOIOKV-JTQLQIEISA-N -1 3 283.397 1.638 10 0 CDAEHM CCN=c1[n-]c(C(=O)Nc2ncn(C(C)C)n2)cs1 ZINC000616519205 342113152 /nfs/dbraw/zinc/11/31/52/342113152.db2.gz IKNWIAFZUCCMST-UHFFFAOYSA-N -1 3 280.357 1.422 10 0 CDAEHM CCNc1nc(C(=O)[N-]c2ncn(C(C)C)n2)cs1 ZINC000616519205 342113153 /nfs/dbraw/zinc/11/31/53/342113153.db2.gz IKNWIAFZUCCMST-UHFFFAOYSA-N -1 3 280.357 1.422 10 0 CDAEHM COC(=O)C[C@@H](C)C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000592949752 342749284 /nfs/dbraw/zinc/74/92/84/342749284.db2.gz MOBXUKZRMFTPKW-MRVPVSSYSA-N -1 3 267.329 1.401 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293.241 1.148 10 0 CDAEHM Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c([O-])c1 ZINC000593869290 342848494 /nfs/dbraw/zinc/84/84/94/342848494.db2.gz BDDXPEBVLRRQFW-LXIMFEHMSA-N -1 3 265.334 1.046 10 0 CDAEHM Cc1cc(S(=O)(=O)[N-]Cc2nccc(C)n2)c(C)s1 ZINC000622040436 342226229 /nfs/dbraw/zinc/22/62/29/342226229.db2.gz VAVKESNNCGNXBB-UHFFFAOYSA-N -1 3 297.405 1.942 10 0 CDAEHM O=c1cc(CN2CCCCC[C@@H]2CCO)nc2cc[n-]n21 ZINC000342056026 539074963 /nfs/dbraw/zinc/07/49/63/539074963.db2.gz GPOLMLZLKDWKMZ-CYBMUJFWSA-N -1 3 290.367 1.150 10 0 CDAEHM C[C@@]1(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)CCOC1 ZINC000544558367 539090700 /nfs/dbraw/zinc/09/07/00/539090700.db2.gz NYPNQBYVTSBJTF-CQSZACIVSA-N -1 3 287.323 1.156 10 0 CDAEHM C[C@@]1(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)CCOC1 ZINC000544558367 539090701 /nfs/dbraw/zinc/09/07/01/539090701.db2.gz NYPNQBYVTSBJTF-CQSZACIVSA-N -1 3 287.323 1.156 10 0 CDAEHM O=C(N=c1cc[nH][nH]1)c1cc([O-])c2ccccc2c1 ZINC000471936449 539094336 /nfs/dbraw/zinc/09/43/36/539094336.db2.gz 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343573141 /nfs/dbraw/zinc/57/31/41/343573141.db2.gz QGNFBHFFPLHGHX-UHFFFAOYSA-N -1 3 281.312 1.484 10 0 CDAEHM COc1nnc(NC(=O)CCCC(=O)C(C)(C)C)[n-]1 ZINC000295014356 199300877 /nfs/dbraw/zinc/30/08/77/199300877.db2.gz UBIVZLYZJYGRGG-UHFFFAOYSA-N -1 3 268.317 1.537 10 0 CDAEHM COc1nc(NC(=O)CCCC(=O)C(C)(C)C)n[n-]1 ZINC000295014356 199300879 /nfs/dbraw/zinc/30/08/79/199300879.db2.gz UBIVZLYZJYGRGG-UHFFFAOYSA-N -1 3 268.317 1.537 10 0 CDAEHM COc1n[n-]c(NC(=O)CCCC(=O)C(C)(C)C)n1 ZINC000295014356 199300881 /nfs/dbraw/zinc/30/08/81/199300881.db2.gz UBIVZLYZJYGRGG-UHFFFAOYSA-N -1 3 268.317 1.537 10 0 CDAEHM COC(=O)[C@@H](CF)NC(=O)c1cc(SC)ccc1[O-] ZINC000597658317 343589773 /nfs/dbraw/zinc/58/97/73/343589773.db2.gz UQRLREXIHHCVOB-SECBINFHSA-N -1 3 287.312 1.355 10 0 CDAEHM NC(=O)c1cc(C(=O)[N-]c2cnoc2)nn1-c1ccccc1 ZINC000599542102 344078866 /nfs/dbraw/zinc/07/88/66/344078866.db2.gz HICNUSFGTOGNNA-UHFFFAOYSA-N -1 3 297.274 1.212 10 0 CDAEHM COC(=O)C12CCC(CC1)N2C(=O)c1cccc([O-])c1 ZINC000601830470 344263093 /nfs/dbraw/zinc/26/30/93/344263093.db2.gz WTLDSEDMQKQUFG-UHFFFAOYSA-N -1 3 275.304 1.702 10 0 CDAEHM CCc1cccc(C(=O)N2CCN(C(C)=O)C[C@H]2C)c1[O-] ZINC000536733249 282341619 /nfs/dbraw/zinc/34/16/19/282341619.db2.gz ROVANMNLRXOVHO-LLVKDONJSA-N -1 3 290.363 1.647 10 0 CDAEHM Cc1cc(Br)c([C@H](N)COCC(=O)[O-])s1 ZINC000083678672 178685705 /nfs/dbraw/zinc/68/57/05/178685705.db2.gz PJKONLLDSULMHC-SSDOTTSWSA-N -1 3 294.170 1.920 10 0 CDAEHM C(Cc1nnn[n-]1)SCc1nc(CC2CC2)no1 ZINC000603342502 344773894 /nfs/dbraw/zinc/77/38/94/344773894.db2.gz IIJQOSISJJTUAR-UHFFFAOYSA-N -1 3 266.330 1.011 10 0 CDAEHM C(Cc1nn[n-]n1)SCc1nc(CC2CC2)no1 ZINC000603342502 344773895 /nfs/dbraw/zinc/77/38/95/344773895.db2.gz IIJQOSISJJTUAR-UHFFFAOYSA-N -1 3 266.330 1.011 10 0 CDAEHM CCO[C@H]1C[C@H](NC(=O)c2cc(NC(C)=O)ccc2[O-])C1 ZINC000617956960 344979237 /nfs/dbraw/zinc/97/92/37/344979237.db2.gz PWRWMTVYUHUWDV-HAQNSBGRSA-N -1 3 292.335 1.648 10 0 CDAEHM O=C(c1ccccc1[O-])N1CCOC[C@@H]1C(F)(F)F ZINC000606785825 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CC(=O)c1ccc(C(=O)N2CC[C@H](O)C(F)(F)C2)cc1[O-] ZINC000617806860 346474598 /nfs/dbraw/zinc/47/45/98/346474598.db2.gz UEAWPOUZZDYOCW-LBPRGKRZSA-N -1 3 299.273 1.437 10 0 CDAEHM CC(=O)N(CCN(C)C)c1ccccc1C(=O)[O-] ZINC000584597166 346495833 /nfs/dbraw/zinc/49/58/33/346495833.db2.gz HUAXBTUSMMRBFT-UHFFFAOYSA-N -1 3 250.298 1.299 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)N[C@@H]1CCSc2ccccc21 ZINC000085812349 179178206 /nfs/dbraw/zinc/17/82/06/179178206.db2.gz DWFUECQQQOSWLJ-VHSXEESVSA-N -1 3 280.349 1.142 10 0 CDAEHM C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)[C@H](N)CCC(=O)[O-] ZINC000085838806 179185341 /nfs/dbraw/zinc/18/53/41/179185341.db2.gz QTOBFLZQQWEIOR-IONNQARKSA-N -1 3 296.289 1.368 10 0 CDAEHM CC[C@@H](NC(=O)[C@H](N)CCC(=O)[O-])c1cccs1 ZINC000085843062 179185709 /nfs/dbraw/zinc/18/57/09/179185709.db2.gz LCIKOFHMGMRUJJ-RKDXNWHRSA-N -1 3 270.354 1.508 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000085816267 179180167 /nfs/dbraw/zinc/18/01/67/179180167.db2.gz 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ZINC000615297006 348426550 /nfs/dbraw/zinc/42/65/50/348426550.db2.gz VCLZXTSIMJGPOF-SECBINFHSA-N -1 3 267.350 1.975 10 0 CDAEHM Cn1cc(CCC(=O)Nc2c([O-])cccc2Cl)nn1 ZINC000615321930 348441278 /nfs/dbraw/zinc/44/12/78/348441278.db2.gz LNWAYWJHEYDINT-UHFFFAOYSA-N -1 3 280.715 1.745 10 0 CDAEHM CN1CC[C@@H](C(=O)NCc2ccc([O-])c3ncccc23)C1=O ZINC000616022080 349248658 /nfs/dbraw/zinc/24/86/58/349248658.db2.gz BGUNWMZNQZSGJU-LBPRGKRZSA-N -1 3 299.330 1.035 10 0 CDAEHM NC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616023391 349250818 /nfs/dbraw/zinc/25/08/18/349250818.db2.gz RLIMSLKFCTUROU-NEPJUHHUSA-N -1 3 299.330 1.068 10 0 CDAEHM NC(=O)[C@H]1CC[C@H]1C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616023392 349250887 /nfs/dbraw/zinc/25/08/87/349250887.db2.gz RLIMSLKFCTUROU-NWDGAFQWSA-N -1 3 299.330 1.068 10 0 CDAEHM CCc1ccc(C(=O)N2CCC3(COC3)C2)c([O-])c1 ZINC000620288936 350120155 /nfs/dbraw/zinc/12/01/55/350120155.db2.gz BARWVPXJIVURSY-UHFFFAOYSA-N -1 3 261.321 1.817 10 0 CDAEHM 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GEGFDLNFBRPKRQ-UHFFFAOYSA-N -1 3 277.368 1.652 10 0 CDAEHM O=C1C[C@@]2(CCSC2)C(=O)[N-]N1c1ncc(F)cc1F ZINC000634608451 356565587 /nfs/dbraw/zinc/56/55/87/356565587.db2.gz CODDZGQCJNPYIX-GFCCVEGCSA-N -1 3 299.302 1.251 10 0 CDAEHM O=C1COCCN1c1cc(Br)ccc1[O-] ZINC000725244782 538446255 /nfs/dbraw/zinc/44/62/55/538446255.db2.gz XCMWFWSBFYBXOC-UHFFFAOYSA-N -1 3 272.098 1.518 10 0 CDAEHM Cn1cnc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000328811424 202068279 /nfs/dbraw/zinc/06/82/79/202068279.db2.gz FJGRLGGQECOVNY-STQMWFEESA-N -1 3 297.424 1.915 10 0 CDAEHM COC[C@@H]([N-]S(=O)(=O)Cc1ccon1)c1ccccc1 ZINC000266160229 363502029 /nfs/dbraw/zinc/50/20/29/363502029.db2.gz KZEWATYNCRCXBZ-CYBMUJFWSA-N -1 3 296.348 1.482 10 0 CDAEHM O=C([O-])[C@H]1Cc2c(Br)cc(F)cc2CN1 ZINC000725255683 538451721 /nfs/dbraw/zinc/45/17/21/538451721.db2.gz IJIUQHBXZKLRHP-SECBINFHSA-N -1 3 274.089 1.687 10 0 CDAEHM CC[C@H](C)N(CC(=O)OC)C(=O)c1cccc([O-])c1 ZINC000456066996 363514077 /nfs/dbraw/zinc/51/40/77/363514077.db2.gz MMQWLYFVGMFPSY-JTQLQIEISA-N -1 3 265.309 1.806 10 0 CDAEHM CN1CCC[C@H]1c1nn[n-]c1C(=O)OC(C)(C)C ZINC000725266450 538456385 /nfs/dbraw/zinc/45/63/85/538456385.db2.gz ZSXWYBXZYUWMSI-QMMMGPOBSA-N -1 3 252.318 1.527 10 0 CDAEHM CN1CCC[C@H]1c1[n-]nnc1C(=O)OC(C)(C)C ZINC000725266450 538456387 /nfs/dbraw/zinc/45/63/87/538456387.db2.gz ZSXWYBXZYUWMSI-QMMMGPOBSA-N -1 3 252.318 1.527 10 0 CDAEHM CN1CCC[C@H]1c1n[n-]nc1C(=O)OC(C)(C)C ZINC000725266450 538456389 /nfs/dbraw/zinc/45/63/89/538456389.db2.gz ZSXWYBXZYUWMSI-QMMMGPOBSA-N -1 3 252.318 1.527 10 0 CDAEHM Cc1nc(-c2[n-]nnc2C(=O)OC(C)(C)C)co1 ZINC000725266315 538456434 /nfs/dbraw/zinc/45/64/34/538456434.db2.gz GZXIWTRSCVNYEF-UHFFFAOYSA-N -1 3 250.258 1.723 10 0 CDAEHM Cc1nc(-c2nn[n-]c2C(=O)OC(C)(C)C)co1 ZINC000725266315 538456437 /nfs/dbraw/zinc/45/64/37/538456437.db2.gz GZXIWTRSCVNYEF-UHFFFAOYSA-N -1 3 250.258 1.723 10 0 CDAEHM N[C@]1(CC(=O)[O-])OC=C[C@H]1C(=O)OCc1ccccc1 ZINC000071186802 357747560 /nfs/dbraw/zinc/74/75/60/357747560.db2.gz QXCFZPRVEDLABU-SMDDNHRTSA-N -1 3 277.276 1.020 10 0 CDAEHM O=S(=O)([N-]CC[C@H]1CCCOC1)c1cscn1 ZINC000528452922 357846524 /nfs/dbraw/zinc/84/65/24/357846524.db2.gz XSCTVQIOMFVLEK-SECBINFHSA-N -1 3 276.383 1.238 10 0 CDAEHM C[C@@H]1CCN(S(=O)(=O)[N-]CC(=O)C2(C)CCCC2)C1 ZINC000625550397 357881760 /nfs/dbraw/zinc/88/17/60/357881760.db2.gz XMUWRHFGGWOGJI-LLVKDONJSA-N -1 3 288.413 1.312 10 0 CDAEHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC1(F)F ZINC000294496101 199062080 /nfs/dbraw/zinc/06/20/80/199062080.db2.gz FFMUIHGLCDQDPY-VIFPVBQESA-N -1 3 279.250 1.138 10 0 CDAEHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC1(F)F ZINC000294496101 199062082 /nfs/dbraw/zinc/06/20/82/199062082.db2.gz FFMUIHGLCDQDPY-VIFPVBQESA-N -1 3 279.250 1.138 10 0 CDAEHM Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(C)ccc1[O-] ZINC000081579641 358133255 /nfs/dbraw/zinc/13/32/55/358133255.db2.gz VZCPTFGFEBCHDY-GFCCVEGCSA-N -1 3 286.335 1.865 10 0 CDAEHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)[N-]OCC(N)=O)cc1 ZINC000089462619 358411027 /nfs/dbraw/zinc/41/10/27/358411027.db2.gz BOYDPHIFVKYINN-QWHCGFSZSA-N -1 3 276.336 1.447 10 0 CDAEHM O=c1ccccn1CCC[N-]S(=O)(=O)c1cccs1 ZINC000060790626 358431365 /nfs/dbraw/zinc/43/13/65/358431365.db2.gz YILYCPIBEMMXDU-UHFFFAOYSA-N -1 3 298.389 1.278 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)CC[S@@](=O)C1 ZINC000277567476 366525360 /nfs/dbraw/zinc/52/53/60/366525360.db2.gz NSYNUUZJWRMHSG-MLCYQJTMSA-N -1 3 267.350 1.233 10 0 CDAEHM C[C@H]1CN(C(=O)c2cccc([O-])c2)CC[S@@](=O)C1 ZINC000277567478 366525813 /nfs/dbraw/zinc/52/58/13/366525813.db2.gz NSYNUUZJWRMHSG-XTZNXHDOSA-N -1 3 267.350 1.233 10 0 CDAEHM Cc1ccc(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c([O-])c1 ZINC000042439109 358945124 /nfs/dbraw/zinc/94/51/24/358945124.db2.gz ZETKODVVSVVCRS-QWRGUYRKSA-N -1 3 276.336 1.427 10 0 CDAEHM N[C@@]1(C(=O)[O-])CCc2c1ccc(Br)c2F ZINC000238628447 359549979 /nfs/dbraw/zinc/54/99/79/359549979.db2.gz VUIPFJQBLAZVJX-JTQLQIEISA-N -1 3 274.089 1.773 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(OC(F)F)cc2)[n-]1 ZINC000158198251 237126989 /nfs/dbraw/zinc/12/69/89/237126989.db2.gz ZOXDFSPEWDCPSI-UHFFFAOYSA-N -1 3 284.222 1.667 10 0 CDAEHM COc1nc(NC(=O)c2ccc(OC(F)F)cc2)n[n-]1 ZINC000158198251 237127000 /nfs/dbraw/zinc/12/70/00/237127000.db2.gz ZOXDFSPEWDCPSI-UHFFFAOYSA-N -1 3 284.222 1.667 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(OC(F)F)cc2)n1 ZINC000158198251 237127011 /nfs/dbraw/zinc/12/70/11/237127011.db2.gz ZOXDFSPEWDCPSI-UHFFFAOYSA-N -1 3 284.222 1.667 10 0 CDAEHM C[C@@H]1CCN(C(=O)c2cccc([O-])c2)CC[S@]1=O ZINC000277590012 366534959 /nfs/dbraw/zinc/53/49/59/366534959.db2.gz PDFQEVBFAYCHSO-MLCYQJTMSA-N -1 3 267.350 1.375 10 0 CDAEHM Cc1c(S(=O)(=O)[N-]CCCC(C)(F)F)cnn1C ZINC000296885880 200025584 /nfs/dbraw/zinc/02/55/84/200025584.db2.gz DBICRNBUXKIMJL-UHFFFAOYSA-N -1 3 281.328 1.442 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-]CCCCSC)nc1C ZINC000347920429 359695805 /nfs/dbraw/zinc/69/58/05/359695805.db2.gz KLXZZZBAFCPGBJ-UHFFFAOYSA-N -1 3 291.442 1.633 10 0 CDAEHM CC(=O)c1cccc(NC(=O)C2(C(=O)N(C)C)CC2)c1[O-] ZINC000560552520 359828523 /nfs/dbraw/zinc/82/85/23/359828523.db2.gz RZSQOORNMUYXCB-UHFFFAOYSA-N -1 3 290.319 1.402 10 0 CDAEHM Cc1cscc1C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297634377 200247382 /nfs/dbraw/zinc/24/73/82/200247382.db2.gz CQTOXCNVUSSSRI-UHFFFAOYSA-N -1 3 291.336 1.319 10 0 CDAEHM Cc1cscc1C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297634377 200247383 /nfs/dbraw/zinc/24/73/83/200247383.db2.gz CQTOXCNVUSSSRI-UHFFFAOYSA-N -1 3 291.336 1.319 10 0 CDAEHM Cc1cscc1C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297634377 200247385 /nfs/dbraw/zinc/24/73/85/200247385.db2.gz CQTOXCNVUSSSRI-UHFFFAOYSA-N -1 3 291.336 1.319 10 0 CDAEHM Cc1cccc(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)c1 ZINC000297858185 200293780 /nfs/dbraw/zinc/29/37/80/200293780.db2.gz YEXHFFPPYMYTCO-UHFFFAOYSA-N -1 3 285.307 1.258 10 0 CDAEHM Cc1cccc(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)c1 ZINC000297858185 200293781 /nfs/dbraw/zinc/29/37/81/200293781.db2.gz YEXHFFPPYMYTCO-UHFFFAOYSA-N -1 3 285.307 1.258 10 0 CDAEHM Cc1cccc(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)c1 ZINC000297858185 200293783 /nfs/dbraw/zinc/29/37/83/200293783.db2.gz YEXHFFPPYMYTCO-UHFFFAOYSA-N -1 3 285.307 1.258 10 0 CDAEHM CCCC[C@@H](C)C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297866139 200295929 /nfs/dbraw/zinc/29/59/29/200295929.db2.gz ZBIIRRHHADROSL-MRVPVSSYSA-N -1 3 279.344 1.462 10 0 CDAEHM CCCC[C@@H](C)C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297866139 200295931 /nfs/dbraw/zinc/29/59/31/200295931.db2.gz ZBIIRRHHADROSL-MRVPVSSYSA-N -1 3 279.344 1.462 10 0 CDAEHM CCCC[C@@H](C)C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297866139 200295932 /nfs/dbraw/zinc/29/59/32/200295932.db2.gz ZBIIRRHHADROSL-MRVPVSSYSA-N -1 3 279.344 1.462 10 0 CDAEHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCOC[C@@H]1C ZINC000277723493 366606495 /nfs/dbraw/zinc/60/64/95/366606495.db2.gz JFYCRAWGHBVRCH-DTWKUNHWSA-N -1 3 291.394 1.460 10 0 CDAEHM CN(CC1CC1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000331420423 359941030 /nfs/dbraw/zinc/94/10/30/359941030.db2.gz DAJAKLQVXXZORY-UHFFFAOYSA-N -1 3 277.250 1.375 10 0 CDAEHM CN(CC1CC1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000331420423 359941036 /nfs/dbraw/zinc/94/10/36/359941036.db2.gz DAJAKLQVXXZORY-UHFFFAOYSA-N -1 3 277.250 1.375 10 0 CDAEHM CN(CC1CC1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000331420423 359941043 /nfs/dbraw/zinc/94/10/43/359941043.db2.gz DAJAKLQVXXZORY-UHFFFAOYSA-N -1 3 277.250 1.375 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCC[C@@H]2O)c1 ZINC000121089318 360112109 /nfs/dbraw/zinc/11/21/09/360112109.db2.gz NJLJRLNOAUNEBX-MFKMUULPSA-N -1 3 292.335 1.241 10 0 CDAEHM CC1(C)[C@H](C[N-]S(=O)(=O)Cc2ccon2)C1(F)F ZINC000660021751 412697813 /nfs/dbraw/zinc/69/78/13/412697813.db2.gz OFKWIYWVORGIOH-QMMMGPOBSA-N -1 3 280.296 1.385 10 0 CDAEHM CN1CCN(C(=O)c2cc(-c3ccccc3[O-])on2)CC1 ZINC000064541685 360270853 /nfs/dbraw/zinc/27/08/53/360270853.db2.gz YXEXZCOVJAKRDR-UHFFFAOYSA-N -1 3 287.319 1.435 10 0 CDAEHM Cc1ccc([C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)cc1 ZINC000541387917 360289311 /nfs/dbraw/zinc/28/93/11/360289311.db2.gz VVHCSKJLGAGMNC-LBPRGKRZSA-N -1 3 258.325 1.808 10 0 CDAEHM O=C([N-]C1=NCCS1)[C@@H]1CCCc2n[nH]cc21 ZINC000177321744 189043847 /nfs/dbraw/zinc/04/38/47/189043847.db2.gz SJONMFWXWFNTRG-SSDOTTSWSA-N -1 3 250.327 1.049 10 0 CDAEHM CCCCC[C@@H](C)NC(=O)C1CC2(C1)NC(=O)[N-]C2=O ZINC000154726082 360382601 /nfs/dbraw/zinc/38/26/01/360382601.db2.gz MEFJOYODLVSAMZ-NAUIOFCNSA-N -1 3 281.356 1.060 10 0 CDAEHM CC(C)[C@H](N)C(=O)N1CC[C@@]2(CC[C@@H](C(=O)[O-])C2)C1 ZINC000248156653 360416235 /nfs/dbraw/zinc/41/62/35/360416235.db2.gz IYCODEIJFWFYLT-UHIISALHSA-N -1 3 268.357 1.073 10 0 CDAEHM CCN(C)C(=O)[C@H](C)NCc1nc(C)ccc1[O-] ZINC000231842437 360488219 /nfs/dbraw/zinc/48/82/19/360488219.db2.gz PKLHLTIPHWAUFC-JTQLQIEISA-N -1 3 251.330 1.052 10 0 CDAEHM CC1(C(N)=O)CN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000335561566 360460784 /nfs/dbraw/zinc/46/07/84/360460784.db2.gz XLZXXQPJBUCEPJ-UHFFFAOYSA-N -1 3 266.272 1.458 10 0 CDAEHM O=C(NCCCc1ccccn1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000516085952 360561304 /nfs/dbraw/zinc/56/13/04/360561304.db2.gz NOVPVMVJPSZAHL-UHFFFAOYSA-N -1 3 298.346 1.817 10 0 CDAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCCO1 ZINC000335813276 360684262 /nfs/dbraw/zinc/68/42/62/360684262.db2.gz LNNYCHMHRMRDTJ-UHFFFAOYSA-N -1 3 286.125 1.861 10 0 CDAEHM CCc1[n-][nH]c(=NC(=O)c2ccnc(C(=O)OC)c2)c1C ZINC000429361500 360812573 /nfs/dbraw/zinc/81/25/73/360812573.db2.gz FETZSUYAJYFTLC-UHFFFAOYSA-N -1 3 288.307 1.136 10 0 CDAEHM COc1nnc(NC(=O)C[C@@H]2OCCc3ccccc32)[n-]1 ZINC000179370986 189189389 /nfs/dbraw/zinc/18/93/89/189189389.db2.gz MGDPHCLKQIEGHM-NSHDSACASA-N -1 3 288.307 1.456 10 0 CDAEHM COc1nc(NC(=O)C[C@@H]2OCCc3ccccc32)n[n-]1 ZINC000179370986 189189390 /nfs/dbraw/zinc/18/93/90/189189390.db2.gz MGDPHCLKQIEGHM-NSHDSACASA-N -1 3 288.307 1.456 10 0 CDAEHM COc1n[n-]c(NC(=O)C[C@@H]2OCCc3ccccc32)n1 ZINC000179370986 189189391 /nfs/dbraw/zinc/18/93/91/189189391.db2.gz MGDPHCLKQIEGHM-NSHDSACASA-N -1 3 288.307 1.456 10 0 CDAEHM CSCCCCNC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000338800966 361024037 /nfs/dbraw/zinc/02/40/37/361024037.db2.gz QMJIXYDPYMNZIO-UHFFFAOYSA-N -1 3 284.385 1.121 10 0 CDAEHM Cc1ccc(-c2nnc(NC(=O)CCCCC(N)=O)[n-]2)o1 ZINC000338822124 361046910 /nfs/dbraw/zinc/04/69/10/361046910.db2.gz MRYJYPMPEXQPGN-UHFFFAOYSA-N -1 3 291.311 1.357 10 0 CDAEHM Cc1ccc(-c2n[n-]c(NC(=O)CCCCC(N)=O)n2)o1 ZINC000338822124 361046915 /nfs/dbraw/zinc/04/69/15/361046915.db2.gz MRYJYPMPEXQPGN-UHFFFAOYSA-N -1 3 291.311 1.357 10 0 CDAEHM Cc1ccc(-c2nc(NC(=O)CCCCC(N)=O)n[n-]2)o1 ZINC000338822124 361046923 /nfs/dbraw/zinc/04/69/23/361046923.db2.gz MRYJYPMPEXQPGN-UHFFFAOYSA-N -1 3 291.311 1.357 10 0 CDAEHM CSCCCCCNC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000338857977 361084145 /nfs/dbraw/zinc/08/41/45/361084145.db2.gz MRRBIXYYQNYYHX-UHFFFAOYSA-N -1 3 298.412 1.511 10 0 CDAEHM NC(=O)[C@H]1C[C@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000628776089 361063896 /nfs/dbraw/zinc/06/38/96/361063896.db2.gz FGXIOBXKEPKNDD-LJGSYFOKSA-N -1 3 268.700 1.039 10 0 CDAEHM NC(=O)[C@H]1C[C@H](NC(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000628778984 361076512 /nfs/dbraw/zinc/07/65/12/361076512.db2.gz VTMWGCYMDAOOES-HAQNSBGRSA-N -1 3 288.347 1.265 10 0 CDAEHM Cc1cccc2cc(S(=O)(=O)[N-]CCC(N)=O)sc21 ZINC000645472510 361077687 /nfs/dbraw/zinc/07/76/87/361077687.db2.gz LMOCUMFFFZJNRQ-UHFFFAOYSA-N -1 3 298.389 1.363 10 0 CDAEHM C[C@H]1CC(CCN=c2[n-]c(C(N)=O)cs2)C[C@H](C)O1 ZINC000432160481 361116253 /nfs/dbraw/zinc/11/62/53/361116253.db2.gz DFMOALKCCKOFLP-IUCAKERBSA-N -1 3 283.397 1.670 10 0 CDAEHM Cc1nc(C)c(CC(=O)N2C[C@H](C)CC[C@@H]2C)c(=O)[n-]1 ZINC000336561587 363746964 /nfs/dbraw/zinc/74/69/64/363746964.db2.gz YMVKYELQFXJZQD-ZJUUUORDSA-N -1 3 277.368 1.989 10 0 CDAEHM CCCCN(C)CCNC(=O)N=c1nc(CCC)[n-]s1 ZINC000350896073 361394860 /nfs/dbraw/zinc/39/48/60/361394860.db2.gz GIGIJTTWUHWRJK-UHFFFAOYSA-N -1 3 299.444 1.766 10 0 CDAEHM CO[C@@H]1CN(C(=O)c2cc(C)ccc2[O-])[C@@](C)(CO)C1 ZINC000634066533 361486081 /nfs/dbraw/zinc/48/60/81/361486081.db2.gz XKMFLPPPXOACAO-XHDPSFHLSA-N -1 3 279.336 1.313 10 0 CDAEHM COC(=O)CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436683016 361556956 /nfs/dbraw/zinc/55/69/56/361556956.db2.gz SDYRTASQBRZTCD-UHFFFAOYSA-N -1 3 279.292 1.009 10 0 CDAEHM O=C(N[C@H](CO)c1ccsc1)c1csc(=O)[n-]1 ZINC000351137235 361603668 /nfs/dbraw/zinc/60/36/68/361603668.db2.gz AGCIVQADPMRZCR-SSDOTTSWSA-N -1 3 270.335 1.374 10 0 CDAEHM O=C(N[C@H](CO)c1ccsc1)c1ccc(O)cc1[O-] ZINC000436911717 361606266 /nfs/dbraw/zinc/60/62/66/361606266.db2.gz GBIXRSGVPQZCJD-LLVKDONJSA-N -1 3 279.317 1.623 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000629136500 361607112 /nfs/dbraw/zinc/60/71/12/361607112.db2.gz ARWOAXBZUUDLBY-YGRLFVJLSA-N -1 3 277.320 1.698 10 0 CDAEHM COc1ccc(C(=O)NCc2noc(C3CC3)n2)c([O-])c1 ZINC000436915981 361607764 /nfs/dbraw/zinc/60/77/64/361607764.db2.gz RHVXQHUUNJNDCO-UHFFFAOYSA-N -1 3 289.291 1.591 10 0 CDAEHM Cc1nn(C)cc1S(=O)(=O)[N-]C[C@H](C)CC(F)F ZINC000645794388 361697315 /nfs/dbraw/zinc/69/73/15/361697315.db2.gz BUPSEENDBRVHCL-SSDOTTSWSA-N -1 3 281.328 1.298 10 0 CDAEHM Cn1c2cc([O-])c(NC(=O)C(C)(C)F)cc2n(C)c1=O ZINC000291543359 239191827 /nfs/dbraw/zinc/19/18/27/239191827.db2.gz MAFHTKJLZPPHPJ-UHFFFAOYSA-N -1 3 281.287 1.269 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C ZINC000295776116 239308713 /nfs/dbraw/zinc/30/87/13/239308713.db2.gz SZMFTFGYYRZJFM-WDEREUQCSA-N -1 3 284.381 1.947 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2COCC2(C)C)c1 ZINC000670388548 482877073 /nfs/dbraw/zinc/87/70/73/482877073.db2.gz FRRQJLBZAWTWNV-UHFFFAOYSA-N -1 3 251.282 1.609 10 0 CDAEHM COc1cc(C(=O)N(C)C[C@H]2CCCO2)ccc1[O-] ZINC000268068953 363966087 /nfs/dbraw/zinc/96/60/87/363966087.db2.gz IZXXONUGFRLIEP-LLVKDONJSA-N -1 3 265.309 1.652 10 0 CDAEHM C/C=C\C[C@@H]1CCCN(C(=O)c2cn(C)c(=O)[n-]c2=O)C1 ZINC000629875947 363966726 /nfs/dbraw/zinc/96/67/26/363966726.db2.gz AMOGRWPPOAPMCQ-DLRQAJBASA-N -1 3 291.351 1.304 10 0 CDAEHM C/C=C/C[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)[N-]C2=O)C1 ZINC000629878917 363980590 /nfs/dbraw/zinc/98/05/90/363980590.db2.gz MNGZHEFNZBCJKU-JGLYPNHGSA-N -1 3 293.367 1.179 10 0 CDAEHM CC(C)[C@H]1CN(S(=O)(=O)c2ccc([O-])cc2)CCCO1 ZINC000332300353 364157599 /nfs/dbraw/zinc/15/75/99/364157599.db2.gz VGKSTWNKTMQWEW-CQSZACIVSA-N -1 3 299.392 1.828 10 0 CDAEHM CN(Cc1cn(CC2CC2)nn1)C1(C(=O)[O-])CCCC1 ZINC000566509543 370754800 /nfs/dbraw/zinc/75/48/00/370754800.db2.gz UOPOWFLGMFFSCT-UHFFFAOYSA-N -1 3 278.356 1.517 10 0 CDAEHM O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1cc(F)c[n-]c1=O ZINC000630025840 364438478 /nfs/dbraw/zinc/43/84/78/364438478.db2.gz PVTHGXDDRCEUHD-ONGXEEELSA-N -1 3 266.272 1.224 10 0 CDAEHM CSC[C@@H](C)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352992588 364699749 /nfs/dbraw/zinc/69/97/49/364699749.db2.gz WBLZSLLYAZZHPX-PSASIEDQSA-N -1 3 269.370 1.621 10 0 CDAEHM CC[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)C(=O)OC ZINC000270832865 364779926 /nfs/dbraw/zinc/77/99/26/364779926.db2.gz HZXLPNUNTYYGOB-SECBINFHSA-N -1 3 297.307 1.091 10 0 CDAEHM C[C@H](CC(F)(F)F)C(=O)Nc1nnc(SCCO)[n-]1 ZINC000412198273 240079620 /nfs/dbraw/zinc/07/96/20/240079620.db2.gz 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296.754 1.772 10 0 CDAEHM O=C(N[C@@H]1CCCNC1=O)c1cc([O-])ccc1Cl ZINC000236556375 140240602 /nfs/dbraw/zinc/24/06/02/140240602.db2.gz QPJQIKWJVWLHGK-SNVBAGLBSA-N -1 3 268.700 1.054 10 0 CDAEHM CCC[C@@H](C)S(=O)(=O)[N-]Cc1noc(C2CC2)n1 ZINC000651621475 398125512 /nfs/dbraw/zinc/12/55/12/398125512.db2.gz RGMIRTNMCYRXCE-MRVPVSSYSA-N -1 3 273.358 1.555 10 0 CDAEHM CCC(=O)N1CCCN(Cc2nc(C)ccc2[O-])CC1 ZINC000092186902 147001429 /nfs/dbraw/zinc/00/14/29/147001429.db2.gz ZYXLXTFYMMALSY-UHFFFAOYSA-N -1 3 277.368 1.540 10 0 CDAEHM COc1nnc(NC(=O)c2csc(-c3ccoc3)n2)[n-]1 ZINC000179361636 148109620 /nfs/dbraw/zinc/10/96/20/148109620.db2.gz CTFSREWFJZSAOO-UHFFFAOYSA-N -1 3 291.292 1.782 10 0 CDAEHM COc1n[n-]c(NC(=O)c2csc(-c3ccoc3)n2)n1 ZINC000179361636 148109623 /nfs/dbraw/zinc/10/96/23/148109623.db2.gz CTFSREWFJZSAOO-UHFFFAOYSA-N -1 3 291.292 1.782 10 0 CDAEHM COc1nc(NC(=O)c2csc(-c3ccoc3)n2)n[n-]1 ZINC000179361636 148109624 /nfs/dbraw/zinc/10/96/24/148109624.db2.gz CTFSREWFJZSAOO-UHFFFAOYSA-N -1 3 291.292 1.782 10 0 CDAEHM CCc1nn(C)c(OC)c1CNC(=O)c1cccc([O-])c1 ZINC000182980865 148280576 /nfs/dbraw/zinc/28/05/76/148280576.db2.gz YWCZDOZXIAFGGR-UHFFFAOYSA-N -1 3 289.335 1.627 10 0 CDAEHM C[C@H](C[S@](=O)c1cccc([O-])c1)CS(C)(=O)=O ZINC000184050270 148327092 /nfs/dbraw/zinc/32/70/92/148327092.db2.gz KKVVRXWEOZERRC-ABKXIKBNSA-N -1 3 276.379 1.181 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1ccc(-c2ncon2)cc1 ZINC000352498546 155228515 /nfs/dbraw/zinc/22/85/15/155228515.db2.gz BKKNJIRMHCHWJH-UHFFFAOYSA-N -1 3 296.286 1.767 10 0 CDAEHM N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000315284139 149259129 /nfs/dbraw/zinc/25/91/29/149259129.db2.gz MSZFPSKMELTLDP-HNNXBMFYSA-N -1 3 298.342 1.571 10 0 CDAEHM CNc1snc(C)c1C(=O)NCc1ncccc1[O-] ZINC000352502897 155232483 /nfs/dbraw/zinc/23/24/83/155232483.db2.gz ZZEVJTPMZCCBEV-UHFFFAOYSA-N -1 3 278.337 1.524 10 0 CDAEHM CCC(=O)N[C@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000334240272 149383631 /nfs/dbraw/zinc/38/36/31/149383631.db2.gz OKWWFLJKFASDOY-LBPRGKRZSA-N -1 3 276.336 1.523 10 0 CDAEHM CC(=O)CCC(C)(C)C(=O)NCc1ncccc1[O-] ZINC000352514947 155241015 /nfs/dbraw/zinc/24/10/15/155241015.db2.gz DBBRWYDBPDBZOH-UHFFFAOYSA-N -1 3 264.325 1.799 10 0 CDAEHM Cn1nc2ccccc2c1C(=O)NCc1ncccc1[O-] ZINC000352517536 155242396 /nfs/dbraw/zinc/24/23/96/155242396.db2.gz QHHOJBHZHOCKRC-UHFFFAOYSA-N -1 3 282.303 1.604 10 0 CDAEHM C[C@H](NC(=O)c1ccccc1)C(=O)NCc1ncccc1[O-] ZINC000352518173 155244599 /nfs/dbraw/zinc/24/45/99/155244599.db2.gz VLEPHAUVPVCEQE-NSHDSACASA-N -1 3 299.330 1.222 10 0 CDAEHM COc1ccc(S(=O)(=O)[N-][C@H](C)[C@H](C)OC)c(F)c1 ZINC000352532414 155254121 /nfs/dbraw/zinc/25/41/21/155254121.db2.gz UXZRKORSSZQKEK-BDAKNGLRSA-N -1 3 291.344 1.536 10 0 CDAEHM CC(C)C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000334900828 150053801 /nfs/dbraw/zinc/05/38/01/150053801.db2.gz HLKKGYROQPFVLA-SNVBAGLBSA-N -1 3 271.386 1.715 10 0 CDAEHM Cc1cccc(C(=O)N2CCNC[C@@](C)(F)C2)c1[O-] ZINC000335010863 150183916 /nfs/dbraw/zinc/18/39/16/150183916.db2.gz NLMDTPIWPWXFGT-CQSZACIVSA-N -1 3 266.316 1.474 10 0 CDAEHM O=S(=O)([N-][C@@H]1CC[C@H]1O)c1ccc2ccccc2c1F ZINC000335084844 150273074 /nfs/dbraw/zinc/27/30/74/150273074.db2.gz DPDQRLWQYGHCHG-VXGBXAGGSA-N -1 3 295.335 1.781 10 0 CDAEHM CCn1ccnc1[N-]C(=O)C(=O)N1CCC[C@@H](C)C1 ZINC000335194389 150393190 /nfs/dbraw/zinc/39/31/90/150393190.db2.gz RCODXIZGZSISSN-SNVBAGLBSA-N -1 3 264.329 1.100 10 0 CDAEHM O=C(N[C@H]1CCc2[nH]cnc2C1)c1cc(F)ccc1[O-] ZINC000335813269 151042007 /nfs/dbraw/zinc/04/20/07/151042007.db2.gz BMCLMBITOCQFAI-VIFPVBQESA-N -1 3 275.283 1.542 10 0 CDAEHM O=C(N[C@H]1CCc2nc[nH]c2C1)c1cc(F)ccc1[O-] ZINC000335813269 151042008 /nfs/dbraw/zinc/04/20/08/151042008.db2.gz BMCLMBITOCQFAI-VIFPVBQESA-N -1 3 275.283 1.542 10 0 CDAEHM Cc1ccc(C(=O)N[C@@H]2CCc3[nH]cnc3C2)c([O-])c1 ZINC000335813383 151042080 /nfs/dbraw/zinc/04/20/80/151042080.db2.gz PWNHLWLQCICYCD-SNVBAGLBSA-N -1 3 271.320 1.711 10 0 CDAEHM Cc1ccc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)c([O-])c1 ZINC000335813383 151042081 /nfs/dbraw/zinc/04/20/81/151042081.db2.gz PWNHLWLQCICYCD-SNVBAGLBSA-N -1 3 271.320 1.711 10 0 CDAEHM Cn1cnc(C(=O)[N-]c2cc(F)cc(F)c2F)n1 ZINC000336148988 151312788 /nfs/dbraw/zinc/31/27/88/151312788.db2.gz MQRDHKMXRKFLFD-UHFFFAOYSA-N -1 3 256.187 1.485 10 0 CDAEHM CCNc1ncc(C(=O)[N-]c2ncn(C(C)(C)C)n2)s1 ZINC000346066156 153041238 /nfs/dbraw/zinc/04/12/38/153041238.db2.gz KLULLTXYQJPQRA-UHFFFAOYSA-N -1 3 294.384 1.596 10 0 CDAEHM O=C(NCc1cn2ccccc2n1)NCc1ncccc1[O-] ZINC000349194741 154066826 /nfs/dbraw/zinc/06/68/26/154066826.db2.gz ZJOUYWAXLIFUMP-UHFFFAOYSA-N -1 3 297.318 1.434 10 0 CDAEHM O=C(NCc1ccc(Cl)cn1)NCc1ncccc1[O-] ZINC000349812310 154225925 /nfs/dbraw/zinc/22/59/25/154225925.db2.gz LAAKSPJJHJQQHF-UHFFFAOYSA-N -1 3 292.726 1.835 10 0 CDAEHM Cc1cnccc1CCNC(=O)NCc1ncccc1[O-] ZINC000349821080 154229300 /nfs/dbraw/zinc/22/93/00/154229300.db2.gz ILNIRZNPMNSZDA-UHFFFAOYSA-N -1 3 286.335 1.533 10 0 CDAEHM C[C@@H]1C[C@H](CCNC(=O)NCc2ncccc2[O-])CCO1 ZINC000349897909 154262331 /nfs/dbraw/zinc/26/23/31/154262331.db2.gz SMEXBDNHDJFPDC-VXGBXAGGSA-N -1 3 293.367 1.792 10 0 CDAEHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@@H](OC)C2)s1 ZINC000349995841 154303154 /nfs/dbraw/zinc/30/31/54/154303154.db2.gz ZGBAWFAHUOZTFL-RKDXNWHRSA-N -1 3 290.410 1.551 10 0 CDAEHM Cc1ccc([O-])c(CN(C)CC(=O)NCc2ccccc2)n1 ZINC000353821898 156105669 /nfs/dbraw/zinc/10/56/69/156105669.db2.gz STMNCGSDDLKYKH-UHFFFAOYSA-N -1 3 299.374 1.844 10 0 CDAEHM Cc1cncn1C1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000376015178 160443684 /nfs/dbraw/zinc/44/36/84/160443684.db2.gz XUVZKPJSZKYBFN-UHFFFAOYSA-N -1 3 286.335 1.769 10 0 CDAEHM CCc1ncc(S(=O)(=O)[N-]C[C@H]2C[C@@H]2C)s1 ZINC000359253438 158184071 /nfs/dbraw/zinc/18/40/71/158184071.db2.gz OCIFQXKYADGDAS-JGVFFNPUSA-N -1 3 260.384 1.640 10 0 CDAEHM CCc1cc(C(=O)NCC[C@H](O)C(F)(F)F)ccc1[O-] ZINC000362804068 159241605 /nfs/dbraw/zinc/24/16/05/159241605.db2.gz CDHMGZINSHAVBK-NSHDSACASA-N -1 3 291.269 1.998 10 0 CDAEHM C[C@H]1CN(C(=O)c2cccc([O-])c2)C[C@@]2(CCCOC2)O1 ZINC000373746584 160225155 /nfs/dbraw/zinc/22/51/55/160225155.db2.gz SQPGKRYWGKTIAW-BLLLJJGKSA-N -1 3 291.347 1.802 10 0 CDAEHM O=C([O-])C1(NCc2cn(C3CCC3)nn2)CCCCC1 ZINC000656571916 413445377 /nfs/dbraw/zinc/44/53/77/413445377.db2.gz DIGGLDWGZGYBCO-UHFFFAOYSA-N -1 3 278.356 1.880 10 0 CDAEHM CN1CCCN(c2ccccc2/C=C/C(=O)[O-])CC1 ZINC000020527160 171240027 /nfs/dbraw/zinc/24/00/27/171240027.db2.gz SCHAFVFYAUOBEY-BQYQJAHWSA-N -1 3 260.337 1.926 10 0 CDAEHM C[C@@H]1CN(CC2(C(=O)[O-])CC2)C[C@](C)(C(F)F)O1 ZINC000663314853 412090484 /nfs/dbraw/zinc/09/04/84/412090484.db2.gz AWWYCCHGRBWXGE-LDYMZIIASA-N -1 3 263.284 1.596 10 0 CDAEHM O=C(Cc1cncc([O-])c1)Nc1n[nH]cc1C1CC1 ZINC000655407336 412183124 /nfs/dbraw/zinc/18/31/24/412183124.db2.gz BJVIWSHVCTVWBG-UHFFFAOYSA-N -1 3 258.281 1.569 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N[C@@H](C1CC1)C1CCOCC1 ZINC000655407927 412184472 /nfs/dbraw/zinc/18/44/72/412184472.db2.gz XAKPNNGCZCCIKR-INIZCTEOSA-N -1 3 290.363 1.651 10 0 CDAEHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H](O)C1 ZINC000035187252 172041830 /nfs/dbraw/zinc/04/18/30/172041830.db2.gz ZMDCCTBKSICHFS-JTQLQIEISA-N -1 3 272.304 1.125 10 0 CDAEHM CN1CCC([N-]S(=O)(=O)c2cnc(Cl)s2)CC1 ZINC000035356746 172146944 /nfs/dbraw/zinc/14/69/44/172146944.db2.gz FAMVCMDQPGGZOU-UHFFFAOYSA-N -1 3 295.817 1.169 10 0 CDAEHM COc1ccc(NC(=O)CNCCC(=O)[O-])cc1Cl ZINC000035386118 172168274 /nfs/dbraw/zinc/16/82/74/172168274.db2.gz FSJZWVMCWBEFRP-UHFFFAOYSA-N -1 3 286.715 1.351 10 0 CDAEHM Cn1cc(-c2cc(CN3CC4CC3(C(=O)[O-])C4)on2)cn1 ZINC000656759665 413642900 /nfs/dbraw/zinc/64/29/00/413642900.db2.gz CTPPTALQYHHWRJ-UHFFFAOYSA-N -1 3 288.307 1.124 10 0 CDAEHM O=C([O-])[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2)c2ccccc21 ZINC000656855269 413741848 /nfs/dbraw/zinc/74/18/48/413741848.db2.gz DTGOJBBXHISKCD-MJBXVCDLSA-N -1 3 288.347 1.558 10 0 CDAEHM CC(C)[C@H](C(=O)NC[C@H](C(=O)[O-])C1CCC1)N(C)C ZINC000663152501 414006139 /nfs/dbraw/zinc/00/61/39/414006139.db2.gz FYYDSWUOICWEAQ-NWDGAFQWSA-N -1 3 270.373 1.190 10 0 CDAEHM CC[C@@](C)([N-]S(=O)(=O)c1cn(C)cn1)C1CC1 ZINC000657179824 414008290 /nfs/dbraw/zinc/00/82/90/414008290.db2.gz UCSXLHWNIHEDBJ-LLVKDONJSA-N -1 3 257.359 1.277 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1CCC[C@H]2C[C@H]21)c1ccccn1 ZINC000657148664 413970374 /nfs/dbraw/zinc/97/03/74/413970374.db2.gz CQAJZAVAKDVEMV-SDDRHHMPSA-N -1 3 266.366 1.796 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-]C[C@@]2(C)CC2(F)F)cn1C ZINC000657154634 413985792 /nfs/dbraw/zinc/98/57/92/413985792.db2.gz BGEOPFIWPLMKAU-SECBINFHSA-N -1 3 279.312 1.052 10 0 CDAEHM CC(C)N[C@H](C(=O)[O-])c1cnn(-c2ccccc2)c1 ZINC000037183176 173014797 /nfs/dbraw/zinc/01/47/97/173014797.db2.gz PTZSXYQDPJAULV-ZDUSSCGKSA-N -1 3 259.309 1.996 10 0 CDAEHM CCOC([O-])=NC(=O)CSc1ncccc1N ZINC000037190730 173019717 /nfs/dbraw/zinc/01/97/17/173019717.db2.gz FJTLNOFYZJIFDF-UHFFFAOYSA-N -1 3 255.299 1.029 10 0 CDAEHM CCOC(=O)[N-]C(=O)CSc1ncccc1N ZINC000037190730 173019721 /nfs/dbraw/zinc/01/97/21/173019721.db2.gz FJTLNOFYZJIFDF-UHFFFAOYSA-N -1 3 255.299 1.029 10 0 CDAEHM CCCC[C@@](C)(CO)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000655157592 414127007 /nfs/dbraw/zinc/12/70/07/414127007.db2.gz AFGVOZPHTNQJLX-HNNXBMFYSA-N -1 3 293.367 1.731 10 0 CDAEHM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000655160726 414135054 /nfs/dbraw/zinc/13/50/54/414135054.db2.gz NMUZNDFZJWFCNE-GMTAPVOTSA-N -1 3 273.336 1.978 10 0 CDAEHM CCc1csc(NCc2nc(CN)cc(=O)[n-]2)n1 ZINC000663277268 414110994 /nfs/dbraw/zinc/11/09/94/414110994.db2.gz MDNNDXXCJWUHAV-UHFFFAOYSA-N -1 3 265.342 1.272 10 0 CDAEHM N[C@@H](CC1CCCCC1)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663278973 414116622 /nfs/dbraw/zinc/11/66/22/414116622.db2.gz ALTLCKJOQARAAQ-KBPBESRZSA-N -1 3 296.411 1.901 10 0 CDAEHM O=C([O-])CCN(Cc1ccccc1)C[C@H]1COCCO1 ZINC000659790362 414120796 /nfs/dbraw/zinc/12/07/96/414120796.db2.gz PBOSICZFPPUSRH-AWEZNQCLSA-N -1 3 279.336 1.379 10 0 CDAEHM C[C@@H](CNC(=O)NCc1ncccc1[O-])c1ccccn1 ZINC000665421077 414173874 /nfs/dbraw/zinc/17/38/74/414173874.db2.gz QQEGXQOURKEZDJ-NSHDSACASA-N -1 3 286.335 1.785 10 0 CDAEHM Cc1c(S(=O)(=O)[N-]C[C@H]2C(C)(C)C2(F)F)cnn1C ZINC000660023097 414366988 /nfs/dbraw/zinc/36/69/88/414366988.db2.gz WWTSTHBNRHGADU-VIFPVBQESA-N -1 3 293.339 1.298 10 0 CDAEHM CC(C)C[N-]S(=O)(=O)c1cc(N)c(F)cc1Cl ZINC000040313714 174232547 /nfs/dbraw/zinc/23/25/47/174232547.db2.gz YYEFQNTYGBHRRG-UHFFFAOYSA-N -1 3 280.752 1.996 10 0 CDAEHM CCC[C@@H](N)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000040469966 174278237 /nfs/dbraw/zinc/27/82/37/174278237.db2.gz BUDHSSJTTZLOJP-SECBINFHSA-N -1 3 252.270 1.156 10 0 CDAEHM O=C([O-])c1ccc(F)cc1NC(=O)CNC1CC1 ZINC000040473696 174281784 /nfs/dbraw/zinc/28/17/84/174281784.db2.gz FHNARFJSDZVYOS-UHFFFAOYSA-N -1 3 252.245 1.214 10 0 CDAEHM O=C([O-])C1(NC(=O)[C@H]2CCCCN2)CCCCC1 ZINC000040479466 174283769 /nfs/dbraw/zinc/28/37/69/174283769.db2.gz WNJQJJQQESBCPV-SNVBAGLBSA-N -1 3 254.330 1.032 10 0 CDAEHM CC(C)C[C@@H](N)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000040480817 174284939 /nfs/dbraw/zinc/28/49/39/174284939.db2.gz VRWBJXGINKHOFP-GFCCVEGCSA-N -1 3 276.336 1.647 10 0 CDAEHM NC1(C(=O)NC2(C(=O)[O-])CCCCCC2)CCCCC1 ZINC000040481795 174285793 /nfs/dbraw/zinc/28/57/93/174285793.db2.gz DPSYZTOCWQBAHV-UHFFFAOYSA-N -1 3 282.384 1.942 10 0 CDAEHM CCC[C@](C)(N)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000040486729 174289551 /nfs/dbraw/zinc/28/95/51/174289551.db2.gz FTJQOLXHTWCTTJ-RISCZKNCSA-N -1 3 270.373 1.654 10 0 CDAEHM CN1CCC(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000040573624 174339627 /nfs/dbraw/zinc/33/96/27/174339627.db2.gz RSGRUIAPJLJLJB-ZDUSSCGKSA-N -1 3 291.351 1.206 10 0 CDAEHM CN1CCC(NC(=O)Nc2cccc(F)c2C(=O)[O-])CC1 ZINC000040573688 174339783 /nfs/dbraw/zinc/33/97/83/174339783.db2.gz UPXUKSGMQCEBTC-UHFFFAOYSA-N -1 3 295.314 1.740 10 0 CDAEHM CCCc1nnc(SCC(=O)[O-])n1[C@@H]1CCCN(C)C1 ZINC000040715918 174383354 /nfs/dbraw/zinc/38/33/54/174383354.db2.gz YETRZYFCGQOUHX-SNVBAGLBSA-N -1 3 298.412 1.674 10 0 CDAEHM Cc1nc(C)c([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)[O-])c(=O)[n-]1 ZINC000043434302 175044564 /nfs/dbraw/zinc/04/45/64/175044564.db2.gz RTFSRJSFQGUIRP-KOLCDFICSA-N -1 3 281.356 1.537 10 0 CDAEHM C[C@@H](C(=O)NC(C)(C)C(=O)[O-])N1[C@@H](C)CC[C@@H]1C ZINC000043559672 175065737 /nfs/dbraw/zinc/06/57/37/175065737.db2.gz XPFGIBHOLMQEJT-GUBZILKMSA-N -1 3 256.346 1.227 10 0 CDAEHM C[C@@H](Oc1cc2c(cc1CNC1CC1)OCO2)C(=O)[O-] ZINC000043625645 175081907 /nfs/dbraw/zinc/08/19/07/175081907.db2.gz KJCCJBHLZUMEBF-MRVPVSSYSA-N -1 3 279.292 1.519 10 0 CDAEHM CC[C@@H](C)[C@H](NC(=O)NC[C@H]1CCCN(C)C1)C(=O)[O-] ZINC000044560107 175204100 /nfs/dbraw/zinc/20/41/00/175204100.db2.gz CYLMQISDGJWCGV-UTUOFQBUSA-N -1 3 285.388 1.127 10 0 CDAEHM CCC[C@@H](N)C(=O)N1CCc2sccc2[C@H]1C(=O)[O-] ZINC000044592624 175213378 /nfs/dbraw/zinc/21/33/78/175213378.db2.gz CROOTXFGCYSZER-KOLCDFICSA-N -1 3 282.365 1.386 10 0 CDAEHM NC1(C(=O)N2CCc3sccc3[C@@H]2C(=O)[O-])CCCC1 ZINC000044592643 175213663 /nfs/dbraw/zinc/21/36/63/175213663.db2.gz VKXHJDKVWMHWDH-LLVKDONJSA-N -1 3 294.376 1.530 10 0 CDAEHM CC[C@@H](C)NC(=O)CCNC(=O)c1ccc([O-])cc1 ZINC000045010742 175289308 /nfs/dbraw/zinc/28/93/08/175289308.db2.gz LDQZSVMSGWFJDG-SNVBAGLBSA-N -1 3 264.325 1.427 10 0 CDAEHM C[C@@H](CNC(=O)N(CCC(=O)[O-])C1CC1)N1CCCCC1 ZINC000045013317 175290679 /nfs/dbraw/zinc/29/06/79/175290679.db2.gz MSABHWLITGPVNU-LBPRGKRZSA-N -1 3 297.399 1.510 10 0 CDAEHM CCC[C@](C)(NC(=O)N[C@@H](C)CN1CCCC1)C(=O)[O-] ZINC000049187388 175467992 /nfs/dbraw/zinc/46/79/92/175467992.db2.gz WCARCWIUFAMCKL-FZMZJTMJSA-N -1 3 285.388 1.413 10 0 CDAEHM CCc1nc(S(=O)(=O)[N-][C@H]2COc3ccccc32)c[nH]1 ZINC000070531403 175974219 /nfs/dbraw/zinc/97/42/19/175974219.db2.gz VIGHATWFYODNQE-JTQLQIEISA-N -1 3 293.348 1.384 10 0 CDAEHM C[C@@H](CN1CCCC1)Nc1cnc(C(=O)[O-])cn1 ZINC000071181812 176057131 /nfs/dbraw/zinc/05/71/31/176057131.db2.gz LRWHKMBKIQXYLN-VIFPVBQESA-N -1 3 250.302 1.071 10 0 CDAEHM O=S(=O)([N-][C@@H]1CCC[C@H](O)C1)c1cnccc1Cl 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CC(C)N(C)C(=O)CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000250480887 279324529 /nfs/dbraw/zinc/32/45/29/279324529.db2.gz CDJDVLQEEYPXCW-XQQFMLRXSA-N -1 3 282.384 1.571 10 0 CDAEHM Cc1noc(C)c1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119506478 279365329 /nfs/dbraw/zinc/36/53/29/279365329.db2.gz LVKLPPKDBKXBBR-UHFFFAOYSA-N -1 3 286.295 1.667 10 0 CDAEHM Cc1noc(C)c1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119506478 279365331 /nfs/dbraw/zinc/36/53/31/279365331.db2.gz LVKLPPKDBKXBBR-UHFFFAOYSA-N -1 3 286.295 1.667 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2C[C@H]2C2CC2)n[n-]1 ZINC000119784594 279371101 /nfs/dbraw/zinc/37/11/01/279371101.db2.gz XSSKPEIVUCBPIB-VHSXEESVSA-N -1 3 271.324 1.795 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2C[C@H]2C2CC2)[n-]n1 ZINC000119784594 279371103 /nfs/dbraw/zinc/37/11/03/279371103.db2.gz XSSKPEIVUCBPIB-VHSXEESVSA-N -1 3 271.324 1.795 10 0 CDAEHM C[C@@H](C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cnn(C)c1 ZINC000527499823 281145754 /nfs/dbraw/zinc/14/57/54/281145754.db2.gz 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COc1cc(=NC(=O)N[C@H]2CCC[C@@H](F)C2)[n-]n1C ZINC000565537858 293631577 /nfs/dbraw/zinc/63/15/77/293631577.db2.gz HPMUKOAOSDDWGS-BDAKNGLRSA-N -1 3 270.308 1.253 10 0 CDAEHM CC[C@@H](C)C[C@@H](NC(=O)c1ccc(O)cc1[O-])C(=O)OC ZINC000570399950 294231974 /nfs/dbraw/zinc/23/19/74/294231974.db2.gz WTGOYNJTPMSEGA-BXKDBHETSA-N -1 3 295.335 1.805 10 0 CDAEHM COc1cc(=NC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)[n-]n1C ZINC000571663308 294482304 /nfs/dbraw/zinc/48/23/04/294482304.db2.gz OGPMHHILYRTBTL-YUMQZZPRSA-N -1 3 291.273 1.768 10 0 CDAEHM C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000335314857 300565357 /nfs/dbraw/zinc/56/53/57/300565357.db2.gz JYEFAVNELKDVIH-RDDDGLTNSA-N -1 3 282.727 1.443 10 0 CDAEHM Cc1cnn(CCN(CC(=O)[O-])Cc2ccc(F)cc2)c1 ZINC000575875764 317031905 /nfs/dbraw/zinc/03/19/05/317031905.db2.gz UIZQMCDJRPDJEX-UHFFFAOYSA-N -1 3 291.326 1.917 10 0 CDAEHM CC(C)(O)CCC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000576292964 317113202 /nfs/dbraw/zinc/11/32/02/317113202.db2.gz XGQQETGNPJTBMD-UHFFFAOYSA-N -1 3 289.339 1.280 10 0 CDAEHM CC(C)(O)CCC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000576292964 317113204 /nfs/dbraw/zinc/11/32/04/317113204.db2.gz XGQQETGNPJTBMD-UHFFFAOYSA-N -1 3 289.339 1.280 10 0 CDAEHM COC1([C@@H](C)[N-]S(=O)(=O)c2cscn2)CCC1 ZINC000576699464 317188743 /nfs/dbraw/zinc/18/87/43/317188743.db2.gz PLIJTCTWLLKJKO-MRVPVSSYSA-N -1 3 276.383 1.379 10 0 CDAEHM NC(=O)c1csc(=NC[C@H]2CC23CCSCC3)[n-]1 ZINC000576933007 317232514 /nfs/dbraw/zinc/23/25/14/317232514.db2.gz LCXMWANSFGOOMJ-MRVPVSSYSA-N -1 3 283.422 1.609 10 0 CDAEHM COc1cc(=NC(=O)N[C@]2(C)CCCC[C@@H]2C)[n-]n1C ZINC000582164836 324918950 /nfs/dbraw/zinc/91/89/50/324918950.db2.gz LVGMUJUMKUHURZ-IINYFYTJSA-N -1 3 280.372 1.941 10 0 CDAEHM O=S(=O)([N-]CCCOC(F)F)c1cscn1 ZINC000582603814 325006985 /nfs/dbraw/zinc/00/69/85/325006985.db2.gz VWCFPIYPNZUIKU-UHFFFAOYSA-N -1 3 272.298 1.051 10 0 CDAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H]1CC12CC2 ZINC000583259117 325138794 /nfs/dbraw/zinc/13/87/94/325138794.db2.gz RNLCULNPBKDWKU-LLVKDONJSA-N -1 3 298.346 1.834 10 0 CDAEHM Cc1ccc([O-])c([C@@H]2NC(=O)[C@@H]3c4ccccc4CCN23)n1 ZINC000666180770 482587361 /nfs/dbraw/zinc/58/73/61/482587361.db2.gz VMLDZKNNAIEOAK-JKSUJKDBSA-N -1 3 295.342 1.823 10 0 CDAEHM Cc1ncc(S(=O)(=O)[N-]C[C@@H](C)c2ccncc2)s1 ZINC000677242119 482593650 /nfs/dbraw/zinc/59/36/50/482593650.db2.gz YJXSOOMNFSGNSB-SECBINFHSA-N -1 3 297.405 1.929 10 0 CDAEHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC2)c[nH]1 ZINC000684661600 482926411 /nfs/dbraw/zinc/92/64/11/482926411.db2.gz KCWUYFJCTSYTRP-VHSXEESVSA-N -1 3 269.370 1.610 10 0 CDAEHM CC(C)c1ccc(C(=O)NCCc2nnnn2C)c([O-])c1 ZINC000678577087 483120227 /nfs/dbraw/zinc/12/02/27/483120227.db2.gz AFWXJBPCOILVKU-UHFFFAOYSA-N -1 3 289.339 1.012 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)o1 ZINC000678619283 483134365 /nfs/dbraw/zinc/13/43/65/483134365.db2.gz IAEZXSPMZJMUPT-UHTWSYAYSA-N -1 3 297.376 1.824 10 0 CDAEHM CCN(CC)C[C@H](C)N=c1[n-]c(C2CCOCC2)no1 ZINC000413083673 483210496 /nfs/dbraw/zinc/21/04/96/483210496.db2.gz LMPJZBIBKSWKLB-NSHDSACASA-N -1 3 282.388 1.528 10 0 CDAEHM N[C@H](CC1CCCCC1)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000312319350 483235498 /nfs/dbraw/zinc/23/54/98/483235498.db2.gz ZFQRNUGZSQIOMG-GFCCVEGCSA-N -1 3 282.384 1.655 10 0 CDAEHM CO[C@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)CCO1 ZINC000682598896 483301859 /nfs/dbraw/zinc/30/18/59/483301859.db2.gz UHUMPHKUCFNZAT-OAHLLOKOSA-N -1 3 291.347 1.716 10 0 CDAEHM C[C@H]1CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C[C@@H]1F ZINC000679259802 483316728 /nfs/dbraw/zinc/31/67/28/483316728.db2.gz QBIYXSZHCSWKLI-UFBFGSQYSA-N -1 3 290.294 1.390 10 0 CDAEHM CCc1nn(C)cc1C[N-]c1nnc(C(F)(F)F)o1 ZINC000682673430 483323830 /nfs/dbraw/zinc/32/38/30/483323830.db2.gz MIDXJGIRHLBWNL-UHFFFAOYSA-N -1 3 275.234 1.996 10 0 CDAEHM COc1nnc(NC(=O)c2cccc(C)c2[O-])s1 ZINC000682691422 483330883 /nfs/dbraw/zinc/33/08/83/483330883.db2.gz WKQJGCWMPVRFQW-UHFFFAOYSA-N -1 3 265.294 1.813 10 0 CDAEHM Cc1cn2c(n1)CN(C(=O)c1ccc([O-])c(C)c1)CC2 ZINC000679908670 483471125 /nfs/dbraw/zinc/47/11/25/483471125.db2.gz RNTUPJVGUQEAKA-UHFFFAOYSA-N -1 3 271.320 1.862 10 0 CDAEHM Cc1cc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c(C)[nH]1 ZINC000676782406 483599588 /nfs/dbraw/zinc/59/95/88/483599588.db2.gz BFYBTQMRODQWFY-UHFFFAOYSA-N -1 3 272.308 1.326 10 0 CDAEHM CCN(CC(=O)N(C)C1CCCCC1)[C@H](C)CC(=O)[O-] ZINC000061183343 520302054 /nfs/dbraw/zinc/30/20/54/520302054.db2.gz HVEXKAWIXQMHIE-GFCCVEGCSA-N -1 3 284.400 1.963 10 0 CDAEHM CCC[C@@H](NC(=O)N[C@@H](CC(C)C)CN(C)C)C(=O)[O-] ZINC000049560900 520742159 /nfs/dbraw/zinc/74/21/59/520742159.db2.gz BYYCSULUTJMHSO-NWDGAFQWSA-N -1 3 287.404 1.515 10 0 CDAEHM CCCn1c(=O)[n-]nc1SCc1noc(C(C)C)n1 ZINC000049130177 521615006 /nfs/dbraw/zinc/61/50/06/521615006.db2.gz CEZDMVAZNDKCKC-UHFFFAOYSA-N -1 3 283.357 1.780 10 0 CDAEHM N[C@H](CC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000062135747 1161494840 /nfs/dbraw/zinc/49/48/40/1161494840.db2.gz GPVSRSOUUACFLB-NWDGAFQWSA-N -1 3 262.309 1.010 10 0 CDAEHM CC(C)CC(=O)N[C@@H](C(=O)Nc1ncccc1[O-])C(C)C ZINC000180998218 519597847 /nfs/dbraw/zinc/59/78/47/519597847.db2.gz XRSMRYIRBUWPTD-CYBMUJFWSA-N -1 3 293.367 1.913 10 0 CDAEHM CCN(CC(=O)Nc1ccnn1C(C)C)[C@@H](C)CC(=O)[O-] ZINC000061182579 520370010 /nfs/dbraw/zinc/37/00/10/520370010.db2.gz ZKGNZQIBTMGSSK-NSHDSACASA-N -1 3 296.371 1.588 10 0 CDAEHM CCOc1cccc(-c2noc(-c3nc(N)n[n-]3)n2)c1 ZINC000055169922 521312854 /nfs/dbraw/zinc/31/28/54/521312854.db2.gz ABTIHBMJZSVVRA-UHFFFAOYSA-N -1 3 272.268 1.503 10 0 CDAEHM CCOc1cccc(-c2noc(-c3nnc(N)[n-]3)n2)c1 ZINC000055169922 521312864 /nfs/dbraw/zinc/31/28/64/521312864.db2.gz ABTIHBMJZSVVRA-UHFFFAOYSA-N -1 3 272.268 1.503 10 0 CDAEHM CCOc1cccc(-c2noc(-c3n[n-]c(N)n3)n2)c1 ZINC000055169922 521312869 /nfs/dbraw/zinc/31/28/69/521312869.db2.gz ABTIHBMJZSVVRA-UHFFFAOYSA-N -1 3 272.268 1.503 10 0 CDAEHM CCN(Cc1cn2ccccc2n1)C[C@@H](C)C(=O)[O-] ZINC000061219731 521429991 /nfs/dbraw/zinc/42/99/91/521429991.db2.gz ZWUKUSZLDHGPHG-LLVKDONJSA-N -1 3 261.325 1.877 10 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576860953 /nfs/dbraw/zinc/86/09/53/576860953.db2.gz BVUGLEDJXXHBOD-UHFFFAOYSA-N -1 3 279.267 1.695 10 0 CDAEHM COC(=O)/C(C)=C/COC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000748175864 576898952 /nfs/dbraw/zinc/89/89/52/576898952.db2.gz XODWKJHATXJWNZ-VMPITWQZSA-N -1 3 294.307 1.004 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCS[C@H](C)CC2)n1 ZINC000755199140 576935134 /nfs/dbraw/zinc/93/51/34/576935134.db2.gz JQNZEINEZIREMW-SNVBAGLBSA-N -1 3 253.371 1.818 10 0 CDAEHM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000866951321 620756396 /nfs/dbraw/zinc/75/63/96/620756396.db2.gz UHUKMPDTEKQJLL-GHMZBOCLSA-N -1 3 269.370 1.642 10 0 CDAEHM COC(=O)/C(C)=C/CNC(=O)c1c([O-])cccc1OC ZINC000927974757 618286484 /nfs/dbraw/zinc/28/64/84/618286484.db2.gz DIMZFLCJRHZLHL-VQHVLOKHSA-N -1 3 279.292 1.250 10 0 CDAEHM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cn(C2CCC2)nn1 ZINC000902011069 618488194 /nfs/dbraw/zinc/48/81/94/618488194.db2.gz KFUHAUNWEKVLBJ-GDLCADMTSA-N -1 3 290.367 1.688 10 0 CDAEHM C[C@@H]1[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)CCN1C ZINC000928435390 619076706 /nfs/dbraw/zinc/07/67/06/619076706.db2.gz GODHYONLUWTWOD-HZGVNTEJSA-N -1 3 288.269 1.632 10 0 CDAEHM CCOC(=O)c1nc([C@H](C)NCc2ccc(F)nc2)n[n-]1 ZINC000895238433 619479020 /nfs/dbraw/zinc/47/90/20/619479020.db2.gz KHSOXLVKHKIDEP-QMMMGPOBSA-N -1 3 293.302 1.366 10 0 CDAEHM CCOC(=O)c1nnc([C@H](C)NCc2ccc(F)nc2)[n-]1 ZINC000895238433 619479023 /nfs/dbraw/zinc/47/90/23/619479023.db2.gz KHSOXLVKHKIDEP-QMMMGPOBSA-N -1 3 293.302 1.366 10 0 CDAEHM CCOC(=O)c1n[n-]c([C@H](C)NCc2ccc(F)nc2)n1 ZINC000895238433 619479026 /nfs/dbraw/zinc/47/90/26/619479026.db2.gz KHSOXLVKHKIDEP-QMMMGPOBSA-N -1 3 293.302 1.366 10 0 CDAEHM CCOC(=O)c1nc([C@@H](C)NCc2ccncc2F)n[n-]1 ZINC000895238541 619479050 /nfs/dbraw/zinc/47/90/50/619479050.db2.gz LEFWJKOYXMWHMF-MRVPVSSYSA-N -1 3 293.302 1.366 10 0 CDAEHM CCOC(=O)c1nnc([C@@H](C)NCc2ccncc2F)[n-]1 ZINC000895238541 619479056 /nfs/dbraw/zinc/47/90/56/619479056.db2.gz LEFWJKOYXMWHMF-MRVPVSSYSA-N -1 3 293.302 1.366 10 0 CDAEHM C[C@@H](CC(=O)[N-]OCc1ccccn1)[C@@H]1CCCO1 ZINC000909547026 620280589 /nfs/dbraw/zinc/28/05/89/620280589.db2.gz UVPGVOCIICIUJT-AAEUAGOBSA-N -1 3 264.325 1.835 10 0 CDAEHM COc1ccc(CCC(=O)[N-]OCCSC)cn1 ZINC000897623107 621033283 /nfs/dbraw/zinc/03/32/83/621033283.db2.gz JRMOGDFVYPICSZ-UHFFFAOYSA-N -1 3 270.354 1.434 10 0 CDAEHM O=C(Nc1c([O-])cccc1Cl)C1CN([C@H]2CCOC2)C1 ZINC000897847037 621162529 /nfs/dbraw/zinc/16/25/29/621162529.db2.gz QJNLYXHPLUTVEL-JTQLQIEISA-N -1 3 296.754 1.705 10 0 CDAEHM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(-c2nnn[n-]2)cn1 ZINC000898106259 621338040 /nfs/dbraw/zinc/33/80/40/621338040.db2.gz NLCYNZUKJVMJLQ-INTQDDNPSA-N -1 3 284.323 1.180 10 0 CDAEHM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(-c2nn[n-]n2)cn1 ZINC000898106259 621338041 /nfs/dbraw/zinc/33/80/41/621338041.db2.gz NLCYNZUKJVMJLQ-INTQDDNPSA-N -1 3 284.323 1.180 10 0 CDAEHM Cc1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)n1C ZINC000898205239 621361987 /nfs/dbraw/zinc/36/19/87/621361987.db2.gz 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/nfs/dbraw/zinc/81/95/59/621819559.db2.gz LCXQWZDPTZZFTK-UHFFFAOYSA-N -1 3 280.755 1.966 10 0 CDAEHM CC(C)(C(=O)NCCCc1c[n-][nH]c1=O)[C@H]1CCCCO1 ZINC000898745700 621854714 /nfs/dbraw/zinc/85/47/14/621854714.db2.gz UCWOTARNPCYUDM-NWDGAFQWSA-N -1 3 295.383 1.210 10 0 CDAEHM C[Si](C)(C)CCCC(=O)NCCCc1c[n-][nH]c1=O ZINC000898740014 621858818 /nfs/dbraw/zinc/85/88/18/621858818.db2.gz NUVQPCTWLUZVTO-LLVKDONJSA-N -1 3 283.448 1.733 10 0 CDAEHM C[C@@H](CC1CCC1)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000899170315 622082098 /nfs/dbraw/zinc/08/20/98/622082098.db2.gz OPIBUCNRIRCWAD-VIFPVBQESA-N -1 3 286.339 1.570 10 0 CDAEHM C[C@@H](CC1CCC1)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000899170315 622082103 /nfs/dbraw/zinc/08/21/03/622082103.db2.gz OPIBUCNRIRCWAD-VIFPVBQESA-N -1 3 286.339 1.570 10 0 CDAEHM O=C(c1c([O-])cccc1O)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000899627163 622335145 /nfs/dbraw/zinc/33/51/45/622335145.db2.gz GCGIZLZHRGMVMS-ZWNOBZJWSA-N -1 3 277.320 1.739 10 0 CDAEHM O=C([O-])c1cccc(CNCCOCC2CCC2)n1 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CCOc1nc(NC(=O)c2nc(C(C)C)oc2C)n[n-]1 ZINC001363266330 972035383 /nfs/dbraw/zinc/03/53/83/972035383.db2.gz BNCQWDBNAVPAMS-UHFFFAOYSA-N -1 3 279.300 1.876 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2nc(C(C)C)oc2C)n1 ZINC001363266330 972035389 /nfs/dbraw/zinc/03/53/89/972035389.db2.gz BNCQWDBNAVPAMS-UHFFFAOYSA-N -1 3 279.300 1.876 10 0 CDAEHM CCCOCC(=O)N[C@@H](C)CNC(=O)c1ccccc1[O-] ZINC001295423269 954660495 /nfs/dbraw/zinc/66/04/95/954660495.db2.gz YMEZRTIKJYEZDB-NSHDSACASA-N -1 3 294.351 1.053 10 0 CDAEHM Clc1nc(CN2CC[C@@H](c3nnn[n-]3)C2)cs1 ZINC001364501420 954695370 /nfs/dbraw/zinc/69/53/70/954695370.db2.gz KUWICBREQIHYOC-ZCFIWIBFSA-N -1 3 270.749 1.299 10 0 CDAEHM Clc1nc(CN2CC[C@@H](c3nn[n-]n3)C2)cs1 ZINC001364501420 954695376 /nfs/dbraw/zinc/69/53/76/954695376.db2.gz KUWICBREQIHYOC-ZCFIWIBFSA-N -1 3 270.749 1.299 10 0 CDAEHM CCOc1nnc(NC(=O)c2nc(C(C)C)oc2C)[n-]1 ZINC001363266330 972035376 /nfs/dbraw/zinc/03/53/76/972035376.db2.gz BNCQWDBNAVPAMS-UHFFFAOYSA-N -1 3 279.300 1.876 10 0 CDAEHM Cc1conc1C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001365029268 955518850 /nfs/dbraw/zinc/51/88/50/955518850.db2.gz XANAUNNYZGBIOO-RXMQYKEDSA-N -1 3 289.217 1.611 10 0 CDAEHM C[C@H]1Cc2n[nH]cc2CN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001422254713 955896043 /nfs/dbraw/zinc/89/60/43/955896043.db2.gz TUPYANNTHVCNCR-JTQLQIEISA-N -1 3 299.378 1.977 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CC[C@@H](c3ncccn3)C2)n1 ZINC001422325013 955943832 /nfs/dbraw/zinc/94/38/32/955943832.db2.gz MWZBFHCBZHLOOD-LLVKDONJSA-N -1 3 271.324 1.270 10 0 CDAEHM COc1cc(C(=O)N2CC[C@@]23CCOC3)cc(OC)c1[O-] ZINC001363449840 972176904 /nfs/dbraw/zinc/17/69/04/972176904.db2.gz LJTCENYOCTWVAJ-HNNXBMFYSA-N -1 3 293.319 1.414 10 0 CDAEHM Cn1nnnc1CCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC001331940058 957352331 /nfs/dbraw/zinc/35/23/31/957352331.db2.gz UKHSZMYPGCEDAV-UHFFFAOYSA-N -1 3 292.368 1.059 10 0 CDAEHM CCC[C@@H](CC)C(=O)N(C)C[C@@H](C)NC(=O)c1cn[n-]n1 ZINC001425204734 957489733 /nfs/dbraw/zinc/48/97/33/957489733.db2.gz IWAFZDIVCLDELO-GHMZBOCLSA-N -1 3 295.387 1.208 10 0 CDAEHM O=C([O-])[C@@H]1CC=C[C@@H](NCc2cnnn2-c2ccccc2)C1 ZINC001332476359 957581645 /nfs/dbraw/zinc/58/16/45/957581645.db2.gz LIKKDMVYSDPPMS-CHWSQXEVSA-N -1 3 298.346 1.776 10 0 CDAEHM CN(C)C(=O)/C=C\C(=O)Nc1cccc([O-])c1F ZINC001545835841 959004134 /nfs/dbraw/zinc/00/41/34/959004134.db2.gz QDZRGSFXTLAJRF-SREVYHEPSA-N -1 3 252.245 1.114 10 0 CDAEHM CSCCC(=O)N[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001430441251 959330370 /nfs/dbraw/zinc/33/03/70/959330370.db2.gz MMVMFYRWTXGFLZ-SNVBAGLBSA-N -1 3 296.392 1.380 10 0 CDAEHM O=C(NCCc1ccc(Cl)cc1)c1cnncc1[O-] ZINC001433580906 960414986 /nfs/dbraw/zinc/41/49/86/960414986.db2.gz XIXCEYLCTPVYLG-UHFFFAOYSA-N -1 3 277.711 1.808 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001433662745 960490876 /nfs/dbraw/zinc/49/08/76/960490876.db2.gz HNFWXIZECYCNBK-GRDNDAEWSA-N -1 3 299.374 1.592 10 0 CDAEHM COC(=O)c1coc(CNC(=O)c2ccc(O)cc2[O-])c1 ZINC001418720971 960942933 /nfs/dbraw/zinc/94/29/33/960942933.db2.gz WJEJDDRWGFZJHT-UHFFFAOYSA-N -1 3 291.259 1.407 10 0 CDAEHM Cc1nc(C)c(CCC(=O)NC/C=C\C2CC2)c(=O)[n-]1 ZINC001436400838 962235700 /nfs/dbraw/zinc/23/57/00/962235700.db2.gz DFVJJRLRKUHGCF-ARJAWSKDSA-N -1 3 275.352 1.814 10 0 CDAEHM Cn1cc(C(F)F)c(CNC(=O)c2c([O-])cccc2O)n1 ZINC001421001165 963411018 /nfs/dbraw/zinc/41/10/18/963411018.db2.gz HACDJYYICCTWRG-UHFFFAOYSA-N -1 3 297.261 1.699 10 0 CDAEHM CCOC(=O)[C@H](CC)OC(=O)c1c[n-]c(C(=O)OC)c1 ZINC001345031708 964540511 /nfs/dbraw/zinc/54/05/11/964540511.db2.gz HFUQYXLSEIBZCN-JTQLQIEISA-N -1 3 283.280 1.300 10 0 CDAEHM CC(=O)c1cccc(NC(=O)c2ccc(CO)nc2)c1[O-] ZINC001556853259 965112777 /nfs/dbraw/zinc/11/27/77/965112777.db2.gz BKHRGISARKXDIY-UHFFFAOYSA-N -1 3 286.287 1.734 10 0 CDAEHM CCOc1nnc(NC(=O)C=CCOc2ccccc2)[n-]1 ZINC001558011529 965223607 /nfs/dbraw/zinc/22/36/07/965223607.db2.gz LTNXNYZWFQDRLN-TWGQIWQCSA-N -1 3 288.307 1.777 10 0 CDAEHM CCOc1nc(NC(=O)C=CCOc2ccccc2)n[n-]1 ZINC001558011529 965223616 /nfs/dbraw/zinc/22/36/16/965223616.db2.gz LTNXNYZWFQDRLN-TWGQIWQCSA-N -1 3 288.307 1.777 10 0 CDAEHM CCOc1n[n-]c(NC(=O)/C=C\COc2ccccc2)n1 ZINC001558011529 965223623 /nfs/dbraw/zinc/22/36/23/965223623.db2.gz LTNXNYZWFQDRLN-TWGQIWQCSA-N -1 3 288.307 1.777 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCOC(C)C)c1 ZINC001347290491 965458638 /nfs/dbraw/zinc/45/86/38/965458638.db2.gz GVLVKARGBDUELK-UHFFFAOYSA-N -1 3 292.335 1.672 10 0 CDAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)CCCO)c1 ZINC001349312182 966313643 /nfs/dbraw/zinc/31/36/43/966313643.db2.gz SHGJQIKVFLVFAK-JTQLQIEISA-N -1 3 292.335 1.408 10 0 CDAEHM CC(=O)c1cn(CC(=O)Nc2cc(Cl)ccc2[O-])nn1 ZINC001446524439 966570914 /nfs/dbraw/zinc/57/09/14/966570914.db2.gz HZMFADDXBSIKPD-UHFFFAOYSA-N -1 3 294.698 1.478 10 0 CDAEHM Cc1cccc([O-])c1C(=O)NCC1N=NC(=O)N1C1CC1 ZINC001452561438 968137577 /nfs/dbraw/zinc/13/75/77/968137577.db2.gz GEGZRUNYQROITE-UHFFFAOYSA-N -1 3 288.307 1.263 10 0 CDAEHM CCOc1nnc(NC(=O)c2nc(CC)oc2C)[n-]1 ZINC001454982617 968580660 /nfs/dbraw/zinc/58/06/60/968580660.db2.gz RYTLBDXPEDNGGA-UHFFFAOYSA-N -1 3 265.273 1.315 10 0 CDAEHM CCOc1nc(NC(=O)c2nc(CC)oc2C)n[n-]1 ZINC001454982617 968580663 /nfs/dbraw/zinc/58/06/63/968580663.db2.gz RYTLBDXPEDNGGA-UHFFFAOYSA-N -1 3 265.273 1.315 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2nc(CC)oc2C)n1 ZINC001454982617 968580672 /nfs/dbraw/zinc/58/06/72/968580672.db2.gz RYTLBDXPEDNGGA-UHFFFAOYSA-N -1 3 265.273 1.315 10 0 CDAEHM COC(=O)C[C@H](NC(=O)c1cc(=O)[n-]cn1)C1CCCC1 ZINC001455865266 968826566 /nfs/dbraw/zinc/82/65/66/968826566.db2.gz XHMZAAZOAIWQNS-JTQLQIEISA-N -1 3 293.323 1.034 10 0 CDAEHM O=C(C[C@H]1CC=CCC1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001528799287 968934383 /nfs/dbraw/zinc/93/43/83/968934383.db2.gz OSINTZMALPKKKR-LBPRGKRZSA-N -1 3 289.383 1.727 10 0 CDAEHM O=C(C[C@H]1CC=CCC1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001528799287 968934390 /nfs/dbraw/zinc/93/43/90/968934390.db2.gz OSINTZMALPKKKR-LBPRGKRZSA-N -1 3 289.383 1.727 10 0 CDAEHM COCc1ccc(N=c2ncnc3[nH][n-]cc2-3)cc1OC ZINC001458512340 969309370 /nfs/dbraw/zinc/30/93/70/969309370.db2.gz XLQAZJZBERGEAQ-UHFFFAOYSA-N -1 3 285.307 1.625 10 0 CDAEHM Cc1nccn1Cc1nnc(-c2ccccc2[O-])o1 ZINC001458993159 969373120 /nfs/dbraw/zinc/37/31/20/969373120.db2.gz FAIQVPPGDUZGEM-UHFFFAOYSA-N -1 3 256.265 1.995 10 0 CDAEHM CC[C@@H](F)C(=O)NC/C=C/CNC(=O)c1ccccc1[O-] ZINC001533379936 969424748 /nfs/dbraw/zinc/42/47/48/969424748.db2.gz BCGUDNUDBKJLPU-BTDICHCPSA-N -1 3 294.326 1.543 10 0 CDAEHM CCCC[C@H](C)C(=O)NCC=CCNC(=O)c1cn[n-]n1 ZINC001533482279 969437658 /nfs/dbraw/zinc/43/76/58/969437658.db2.gz YIFRCAKNHUXDKZ-QRGHLMKCSA-N -1 3 293.371 1.033 10 0 CDAEHM CC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)[C@H]1C ZINC001467286947 970041749 /nfs/dbraw/zinc/04/17/49/970041749.db2.gz JEPANSCYRYFMKX-UWVGGRQHSA-N -1 3 286.339 1.522 10 0 CDAEHM CC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)[C@H]1C ZINC001467286947 970041758 /nfs/dbraw/zinc/04/17/58/970041758.db2.gz JEPANSCYRYFMKX-UWVGGRQHSA-N -1 3 286.339 1.522 10 0 CDAEHM Cc1cccc(OC(=O)c2[nH]c(=O)[n-]c(=O)c2N)c1Cl ZINC001519756542 970106431 /nfs/dbraw/zinc/10/64/31/970106431.db2.gz JSOQHIRRJWJOSD-UHFFFAOYSA-N -1 3 295.682 1.651 10 0 CDAEHM Cc1ccc(CC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001469721228 970268655 /nfs/dbraw/zinc/26/86/55/970268655.db2.gz XYFVYELCJWMTKU-UHFFFAOYSA-N -1 3 289.360 1.638 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CC1CC(F)(F)C1 ZINC001361772521 970514952 /nfs/dbraw/zinc/51/49/52/970514952.db2.gz SODVKZPUAXSCHE-SECBINFHSA-N -1 3 273.283 1.050 10 0 CDAEHM COc1cn(C)nc1[C@H](C)NC(=O)c1c(C)cccc1[O-] ZINC001472066778 970560984 /nfs/dbraw/zinc/56/09/84/970560984.db2.gz IVSHQQZQHXUWRE-JTQLQIEISA-N -1 3 289.335 1.934 10 0 CDAEHM CC[C@@H](O)[C@H](C)C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001472091263 970566999 /nfs/dbraw/zinc/56/69/99/970566999.db2.gz SZKKFXNLBIBIRC-WCBMZHEXSA-N -1 3 283.328 1.320 10 0 CDAEHM CC[C@@H](O)[C@H](C)C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001472091263 970567007 /nfs/dbraw/zinc/56/70/07/970567007.db2.gz SZKKFXNLBIBIRC-WCBMZHEXSA-N -1 3 283.328 1.320 10 0 CDAEHM CC(=O)c1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CO)cc1[O-] ZINC001472417648 970636259 /nfs/dbraw/zinc/63/62/59/970636259.db2.gz JRORSPZVVFAELY-QMTHXVAHSA-N -1 3 291.347 1.828 10 0 CDAEHM O=C([N-]Cc1nnc[nH]1)C(F)(F)c1cc(F)cc(F)c1 ZINC001417619337 973205433 /nfs/dbraw/zinc/20/54/33/973205433.db2.gz WUVOHKMCNVSNCW-UHFFFAOYSA-N -1 3 288.204 1.491 10 0 CDAEHM O=C(N[C@H]1CCc2c1cccc2O)c1cnncc1[O-] ZINC001417645063 973233350 /nfs/dbraw/zinc/23/33/50/973233350.db2.gz FZCAOHUEKVHNST-NSHDSACASA-N -1 3 271.276 1.305 10 0 CDAEHM CCC[C@@H](C)CC(=O)N[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001418088075 973578063 /nfs/dbraw/zinc/57/80/63/973578063.db2.gz PJNDWLOIEYHXFN-MXWKQRLJSA-N -1 3 295.387 1.073 10 0 CDAEHM CCCC(C)(C)C(=O)N[C@H](C)[C@H](C)NC(=O)c1cn[n-]n1 ZINC001508588159 975712572 /nfs/dbraw/zinc/71/25/72/975712572.db2.gz FAYRFSKDPMDSDE-VHSXEESVSA-N -1 3 295.387 1.254 10 0 CDAEHM CCCCCC(=O)N[C@H](C)C[C@@H](C)NC(=O)c1cn[n-]n1 ZINC001572632717 1170624753 /nfs/dbraw/zinc/62/47/53/1170624753.db2.gz LGPQMTMEUJSRCA-GHMZBOCLSA-N -1 3 295.387 1.398 10 0 CDAEHM CCOC[C@@H](C(=O)OC)N(C)C(=O)c1cccc([O-])c1 ZINC000611565716 346818767 /nfs/dbraw/zinc/81/87/67/346818767.db2.gz FJVAPUPMUVPVKP-LBPRGKRZSA-N -1 3 281.308 1.042 10 0 CDAEHM CC(C)(C)c1ccc(NC(=O)[C@H](N)CC(=O)[O-])cc1 ZINC000082572127 178109638 /nfs/dbraw/zinc/10/96/38/178109638.db2.gz WNEZLZNNRMDCMW-LLVKDONJSA-N -1 3 264.325 1.725 10 0 CDAEHM C[C@]1(C(=O)Nc2cccc(CC(=O)[O-])c2)CCCCN1 ZINC000133505280 342070182 /nfs/dbraw/zinc/07/01/82/342070182.db2.gz SMIPVWZKNUOAGO-OAHLLOKOSA-N -1 3 276.336 1.784 10 0 CDAEHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@H](C)O)[nH][n-]2)c1 ZINC000616444780 342107021 /nfs/dbraw/zinc/10/70/21/342107021.db2.gz GSXXKNNGVSSXIG-JTQLQIEISA-N -1 3 259.309 1.435 10 0 CDAEHM Cc1ccc(F)c(OCc2n[n-]sc2=NN)c1 ZINC000082940003 178329976 /nfs/dbraw/zinc/32/99/76/178329976.db2.gz BCWARKXQSLOIGP-UHFFFAOYSA-N -1 3 254.290 1.850 10 0 CDAEHM COc1cc(C(=O)N(C)CC2CN(C)C2)cc(OC)c1[O-] ZINC000618192675 342139097 /nfs/dbraw/zinc/13/90/97/342139097.db2.gz WRLSHLKFUXGMFV-UHFFFAOYSA-N -1 3 294.351 1.043 10 0 CDAEHM COc1c(Br)cccc1[C@H](N)C(=O)[O-] ZINC000096885178 185121388 /nfs/dbraw/zinc/12/13/88/185121388.db2.gz LNUQQQIHSZNEOC-ZETCQYMHSA-N -1 3 260.087 1.542 10 0 CDAEHM N[C@H](CC1CCCCC1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000311742997 342162606 /nfs/dbraw/zinc/16/26/06/342162606.db2.gz RABSHSZQSWKROI-NWDGAFQWSA-N -1 3 268.357 1.217 10 0 CDAEHM C[C@@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccccn1 ZINC000617071186 342730570 /nfs/dbraw/zinc/73/05/70/342730570.db2.gz GCNLPRIBDPPAIW-JTQLQIEISA-N -1 3 298.346 1.988 10 0 CDAEHM CCC(F)(F)C[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000625469406 342172782 /nfs/dbraw/zinc/17/27/82/342172782.db2.gz PYONUMPMDBYQRR-UHFFFAOYSA-N -1 3 281.328 1.361 10 0 CDAEHM CCc1ccc(C(=O)NC[C@H](CC)C(=O)OC)c([O-])c1 ZINC000592855928 342738078 /nfs/dbraw/zinc/73/80/78/342738078.db2.gz UPNBKUIFVNLMTH-NSHDSACASA-N -1 3 279.336 1.884 10 0 CDAEHM C/C=C\C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C 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C[C@H](CN1CCCC1)NC(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000085338311 179025077 /nfs/dbraw/zinc/02/50/77/179025077.db2.gz ZKJVCNADMXSANC-WOPDTQHZSA-N -1 3 283.372 1.023 10 0 CDAEHM CCCC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000085324580 179017866 /nfs/dbraw/zinc/01/78/66/179017866.db2.gz QOKSWNCTBSUIOE-GARJFASQSA-N -1 3 256.346 1.264 10 0 CDAEHM CC(C)CO[C@@H]1C[C@@H](NCc2nn[n-]n2)C1(C)C ZINC000085401392 179052612 /nfs/dbraw/zinc/05/26/12/179052612.db2.gz XXMIQAIBYRNIPR-NXEZZACHSA-N -1 3 253.350 1.129 10 0 CDAEHM CC(C)CO[C@@H]1C[C@@H](NCc2nnn[n-]2)C1(C)C ZINC000085401392 179052613 /nfs/dbraw/zinc/05/26/13/179052613.db2.gz XXMIQAIBYRNIPR-NXEZZACHSA-N -1 3 253.350 1.129 10 0 CDAEHM CCCn1c(=O)[n-]nc1SCC1(C(=O)OC)CC1 ZINC000412981251 362714889 /nfs/dbraw/zinc/71/48/89/362714889.db2.gz FBGNYYJSHUWOAU-UHFFFAOYSA-N -1 3 271.342 1.439 10 0 CDAEHM CC[C@@H]1CC[C@H](C)N(C(=O)C(=O)[N-]c2cnns2)C1 ZINC000454012503 252332244 /nfs/dbraw/zinc/33/22/44/252332244.db2.gz CBTSWVGUWMKPCN-DTWKUNHWSA-N -1 3 282.369 1.514 10 0 CDAEHM CCc1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1C ZINC000354989581 365822753 /nfs/dbraw/zinc/82/27/53/365822753.db2.gz CAQMCTMOFFODMH-UHFFFAOYSA-N -1 3 275.308 1.048 10 0 CDAEHM O=C(c1cc(=O)[n-]cn1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000626669000 346679677 /nfs/dbraw/zinc/67/96/77/346679677.db2.gz MFVQTPFFFUVHJE-ZETCQYMHSA-N -1 3 275.230 1.597 10 0 CDAEHM CC[C@@H](NC(=O)[C@@H](N)CC(=O)[O-])c1ccc(Cl)cc1 ZINC000085813315 179178468 /nfs/dbraw/zinc/17/84/68/179178468.db2.gz QPTAWYXBBZCIHG-WDEREUQCSA-N -1 3 284.743 1.709 10 0 CDAEHM N[C@H](CCC(=O)[O-])C(=O)Nc1c(F)cccc1F ZINC000085818785 179181953 /nfs/dbraw/zinc/18/19/53/179181953.db2.gz GXOCLXSPOBANIS-MRVPVSSYSA-N -1 3 258.224 1.095 10 0 CDAEHM CCc1ccc([C@H](C)NC(=O)[C@@H](N)CCC(=O)[O-])cc1 ZINC000085819318 179182195 /nfs/dbraw/zinc/18/21/95/179182195.db2.gz GWQXUSHYOUMEDU-GWCFXTLKSA-N -1 3 278.352 1.618 10 0 CDAEHM CCCCN(CCCC)C(=O)[C@H](N)CCC(=O)[O-] ZINC000085818793 179182318 /nfs/dbraw/zinc/18/23/18/179182318.db2.gz 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392649546 /nfs/dbraw/zinc/64/95/46/392649546.db2.gz RCHMBUCXKPXZTH-UHFFFAOYSA-N -1 3 286.339 1.147 10 0 CDAEHM CC1(C)CN(CC(=O)Nc2nc(-c3ccccn3)n[n-]2)C1 ZINC000646683198 392649549 /nfs/dbraw/zinc/64/95/49/392649549.db2.gz RCHMBUCXKPXZTH-UHFFFAOYSA-N -1 3 286.339 1.147 10 0 CDAEHM CC1(C)CN(CC(=O)Nc2n[n-]c(-c3ccccn3)n2)C1 ZINC000646683198 392649552 /nfs/dbraw/zinc/64/95/52/392649552.db2.gz RCHMBUCXKPXZTH-UHFFFAOYSA-N -1 3 286.339 1.147 10 0 CDAEHM CCc1ccc(C(=O)NC2COCCOC2)c([O-])c1 ZINC000646803059 392785165 /nfs/dbraw/zinc/78/51/65/392785165.db2.gz IPZKGXBXZRUKJV-UHFFFAOYSA-N -1 3 265.309 1.100 10 0 CDAEHM C[C@@H]1CC[C@@H](CNC(=O)NCc2ncccc2[O-])O1 ZINC000459209655 393021103 /nfs/dbraw/zinc/02/11/03/393021103.db2.gz MWLLCIOVMABXGG-ZJUUUORDSA-N -1 3 265.313 1.154 10 0 CDAEHM O=C(Cn1nc(Cl)cc/c1=N/[O-])c1ccccc1 ZINC000584657429 397612719 /nfs/dbraw/zinc/61/27/19/397612719.db2.gz CHCWSEDROHUUHW-QINSGFPZSA-N -1 3 263.684 1.709 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CC3(C2)CCCOC3)c1 ZINC000367937187 397669552 /nfs/dbraw/zinc/66/95/52/397669552.db2.gz AGNIMPYOPGVVLT-UHFFFAOYSA-N -1 3 277.320 1.653 10 0 CDAEHM CCN(Cc1cc(=O)n2[n-]ccc2n1)[C@H]1CCCOC1 ZINC000649756301 397936496 /nfs/dbraw/zinc/93/64/96/397936496.db2.gz MNAOHNSCLRLQSI-LBPRGKRZSA-N -1 3 276.340 1.024 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-]C(C)(C)C1CC1 ZINC000649799628 397963260 /nfs/dbraw/zinc/96/32/60/397963260.db2.gz ZZOGGNINZDYBEF-UHFFFAOYSA-N -1 3 284.381 1.947 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000651466341 398043985 /nfs/dbraw/zinc/04/39/85/398043985.db2.gz VRSSHXDNEYXQAI-ZJUUUORDSA-N -1 3 277.324 1.961 10 0 CDAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000531192883 398088752 /nfs/dbraw/zinc/08/87/52/398088752.db2.gz VNSKFSYSCMLUKJ-NXEZZACHSA-N -1 3 277.324 1.879 10 0 CDAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000531192883 398088757 /nfs/dbraw/zinc/08/87/57/398088757.db2.gz VNSKFSYSCMLUKJ-NXEZZACHSA-N -1 3 277.324 1.879 10 0 CDAEHM 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CSCC[C@H](N)C(=O)Nc1cc(F)ccc1C(=O)[O-] ZINC000040473735 174281564 /nfs/dbraw/zinc/28/15/64/174281564.db2.gz NJBYKDXXOUZSLR-VIFPVBQESA-N -1 3 286.328 1.543 10 0 CDAEHM CC(C)(C)[C@H](N)C(=O)Nc1cc(F)ccc1C(=O)[O-] ZINC000040473737 174281930 /nfs/dbraw/zinc/28/19/30/174281930.db2.gz JQKXSCAPRAZOJK-SNVBAGLBSA-N -1 3 268.288 1.836 10 0 CDAEHM CC(C)[C@H](N)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000040484118 174287517 /nfs/dbraw/zinc/28/75/17/174287517.db2.gz YZGSSJFANRKJJG-LBPRGKRZSA-N -1 3 250.298 1.088 10 0 CDAEHM CN(C(=O)N1CCCC[C@@H]1C(=O)[O-])C1CCN(C)CC1 ZINC000040549452 174326656 /nfs/dbraw/zinc/32/66/56/174326656.db2.gz PUIKBAPXJGHKRA-GFCCVEGCSA-N -1 3 283.372 1.072 10 0 CDAEHM CCC[C@@](C)(NC(=O)NC[C@@H]1CCCN1CC)C(=O)[O-] ZINC000040552858 174329515 /nfs/dbraw/zinc/32/95/15/174329515.db2.gz AYGZLLNBKKQRGE-SMDDNHRTSA-N -1 3 285.388 1.413 10 0 CDAEHM CCN1CCC[C@@H]1CNC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000040552831 174329624 /nfs/dbraw/zinc/32/96/24/174329624.db2.gz JTFGWTHXTMPLBM-GFCCVEGCSA-N -1 3 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286.213 1.459 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)c2ccc(NC)cn2)[n-]n1 ZINC001433874057 960719361 /nfs/dbraw/zinc/71/93/61/960719361.db2.gz HOUIVPIEFHHLIG-UHFFFAOYSA-N -1 3 289.295 1.275 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)c2ccc(NC)cn2)n[n-]1 ZINC001433874057 960719375 /nfs/dbraw/zinc/71/93/75/960719375.db2.gz HOUIVPIEFHHLIG-UHFFFAOYSA-N -1 3 289.295 1.275 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)[C@H](O)C(C)(C)CC)[n-]n1 ZINC001433878765 960725633 /nfs/dbraw/zinc/72/56/33/960725633.db2.gz AXYPKPMAHARQMV-JTQLQIEISA-N -1 3 283.328 1.322 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)[C@H](O)C(C)(C)CC)n[n-]1 ZINC001433878765 960725643 /nfs/dbraw/zinc/72/56/43/960725643.db2.gz AXYPKPMAHARQMV-JTQLQIEISA-N -1 3 283.328 1.322 10 0 CDAEHM CCCC[C@@H](O)CCC(=O)NCc1nc(C)cc(=O)[n-]1 ZINC001434151288 961034223 /nfs/dbraw/zinc/03/42/23/961034223.db2.gz XUBFOAVJYGNPSH-LLVKDONJSA-N -1 3 281.356 1.438 10 0 CDAEHM C[C@H](NC(=O)[C@H]1C[C@@H]1C(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001434394197 961292040 /nfs/dbraw/zinc/29/20/40/961292040.db2.gz 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COc1nc(NC(=O)CCCc2ccccc2)n[n-]1 ZINC000126826236 187264583 /nfs/dbraw/zinc/26/45/83/187264583.db2.gz FVTJUHBCZCCASD-UHFFFAOYSA-N -1 3 260.297 1.775 10 0 CDAEHM COc1n[n-]c(NC(=O)CCCc2ccccc2)n1 ZINC000126826236 187264584 /nfs/dbraw/zinc/26/45/84/187264584.db2.gz FVTJUHBCZCCASD-UHFFFAOYSA-N -1 3 260.297 1.775 10 0 CDAEHM COC(=O)[C@](C)(CCF)NC(=O)c1ccc([O-])c(OC)c1 ZINC000598284138 343753111 /nfs/dbraw/zinc/75/31/11/343753111.db2.gz FWQQIFRWRIEWNZ-AWEZNQCLSA-N -1 3 299.298 1.422 10 0 CDAEHM COCCCn1c(=O)[n-]nc1SCc1coc(C)n1 ZINC000575076000 362428629 /nfs/dbraw/zinc/42/86/29/362428629.db2.gz VFTGFHQGTHSXHX-UHFFFAOYSA-N -1 3 284.341 1.609 10 0 CDAEHM c1ccc2[nH]c(CSCCc3nnn[n-]3)nc2c1 ZINC000095250668 344708918 /nfs/dbraw/zinc/70/89/18/344708918.db2.gz VLIFKFSQBSQLLM-UHFFFAOYSA-N -1 3 260.326 1.552 10 0 CDAEHM c1ccc2[nH]c(CSCCc3nn[n-]n3)nc2c1 ZINC000095250668 344708919 /nfs/dbraw/zinc/70/89/19/344708919.db2.gz VLIFKFSQBSQLLM-UHFFFAOYSA-N -1 3 260.326 1.552 10 0 CDAEHM CO[C@@H](CNC(=O)c1ccc([O-])c(C)c1)[C@H]1CCOC1 ZINC000617136226 344922283 /nfs/dbraw/zinc/92/22/83/344922283.db2.gz WRZRHONDKFTRFP-JSGCOSHPSA-N -1 3 279.336 1.482 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-][C@H]2CC23CCCCC3)c1 ZINC000537743399 282381471 /nfs/dbraw/zinc/38/14/71/282381471.db2.gz QXUSNIFDZUNGPD-NSHDSACASA-N -1 3 283.397 1.904 10 0 CDAEHM CCc1ccc([O-])c(C(=O)NCC[C@@H](COC)OC)c1 ZINC000617237802 345052271 /nfs/dbraw/zinc/05/22/71/345052271.db2.gz UWIIIMVPFKOJGU-LBPRGKRZSA-N -1 3 281.352 1.736 10 0 CDAEHM COC[C@H](CCNC(=O)c1cc(SC)ccc1[O-])OC ZINC000617241776 345061052 /nfs/dbraw/zinc/06/10/52/345061052.db2.gz NIQAKQRYTYTHRX-JTQLQIEISA-N -1 3 299.392 1.895 10 0 CDAEHM CCc1cc(NC(=O)c2cc(OC)ccc2[O-])n[nH]1 ZINC000120679141 345310958 /nfs/dbraw/zinc/31/09/58/345310958.db2.gz LHPXLMPAUBBTRC-UHFFFAOYSA-N -1 3 261.281 1.939 10 0 CDAEHM C[C@@]1(C2CC2)CN(C(=O)c2ccc(O)cc2[O-])CCO1 ZINC000617393748 345433252 /nfs/dbraw/zinc/43/32/52/345433252.db2.gz XIHRVYYUIKFIBJ-HNNXBMFYSA-N -1 3 277.320 1.739 10 0 CDAEHM CCc1cc([N-]C(=O)c2nc(C)ncc2Cl)no1 ZINC000607911926 345467338 /nfs/dbraw/zinc/46/73/38/345467338.db2.gz QIUHPRGKWMZROO-UHFFFAOYSA-N -1 3 266.688 1.663 10 0 CDAEHM C[C@H](O)[C@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000618913521 345469650 /nfs/dbraw/zinc/46/96/50/345469650.db2.gz KQYSLCUVVMJQMC-IINYFYTJSA-N -1 3 286.331 1.514 10 0 CDAEHM CCO[C@@H](C(=O)N1CCc2c(nc[n-]c2=O)C1)C(C)C ZINC000626424100 345574642 /nfs/dbraw/zinc/57/46/42/345574642.db2.gz ISPZTWBAIFDAJA-GFCCVEGCSA-N -1 3 279.340 1.128 10 0 CDAEHM CCN(C(=O)c1cc(OC)ccc1[O-])[C@H]1CCN(C)C1 ZINC000617559273 345854588 /nfs/dbraw/zinc/85/45/88/345854588.db2.gz XAZBBHKDTAVWTR-NSHDSACASA-N -1 3 278.352 1.567 10 0 CDAEHM CN1CCCC[C@H]1CNC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000085340533 179025789 /nfs/dbraw/zinc/02/57/89/179025789.db2.gz SQQOFHFXHGWJEA-SDDRHHMPSA-N -1 3 283.372 1.023 10 0 CDAEHM CC(C)[C@@H](CN(C)C)NC(=O)N[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000085338523 179024941 /nfs/dbraw/zinc/02/49/41/179024941.db2.gz 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/nfs/dbraw/zinc/18/27/25/179182725.db2.gz CKJFHZVOEFZRLO-JTQLQIEISA-N -1 3 282.344 1.211 10 0 CDAEHM Cc1ccc([C@H](C)NC(=O)[C@H](N)CCC(=O)[O-])c(C)c1 ZINC000085820103 179183062 /nfs/dbraw/zinc/18/30/62/179183062.db2.gz TURDEJGSXMWCSE-WCQYABFASA-N -1 3 278.352 1.673 10 0 CDAEHM C[C@@H](NC(=O)[C@@H](N)CCC(=O)[O-])c1ccc(F)cc1 ZINC000085841816 179184786 /nfs/dbraw/zinc/18/47/86/179184786.db2.gz YABZVEWCYCBGPA-KCJUWKMLSA-N -1 3 268.288 1.195 10 0 CDAEHM CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](N)CCC(=O)[O-] ZINC000085839068 179185337 /nfs/dbraw/zinc/18/53/37/179185337.db2.gz LTKKDSXVPSKTQA-LBPRGKRZSA-N -1 3 298.770 1.881 10 0 CDAEHM C[C@@H](NC(=O)[C@@H](N)CCC(=O)[O-])c1ccccc1Cl ZINC000085842492 179186126 /nfs/dbraw/zinc/18/61/26/179186126.db2.gz BCGJQIKUEMWYBE-KCJUWKMLSA-N -1 3 284.743 1.709 10 0 CDAEHM CN(C(=O)[C@H](N)CC(=O)[O-])C1C2CC3CC(C2)CC1C3 ZINC000085815994 179179900 /nfs/dbraw/zinc/17/99/00/179179900.db2.gz MRXWOENVTXJRTN-MYHLZPBCSA-N -1 3 280.368 1.072 10 0 CDAEHM CCOC(=O)c1cn(C)nc1NC([O-])=NOCC(C)C ZINC000273303370 192105307 /nfs/dbraw/zinc/10/53/07/192105307.db2.gz WQLWHIXYHOPLFR-UHFFFAOYSA-N -1 3 284.316 1.306 10 0 CDAEHM CCOC(=O)c1cn(C)nc1NC(=O)[N-]OCC(C)C ZINC000273303370 192105309 /nfs/dbraw/zinc/10/53/09/192105309.db2.gz WQLWHIXYHOPLFR-UHFFFAOYSA-N -1 3 284.316 1.306 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)[C@@H]2C)c(N)n1 ZINC000086069423 179224437 /nfs/dbraw/zinc/22/44/37/179224437.db2.gz UVSMOCSYBQYEQV-LPEHRKFASA-N -1 3 286.401 1.198 10 0 CDAEHM CC[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cn(C)nc2N)[C@@H]1C ZINC000086082920 179228232 /nfs/dbraw/zinc/22/82/32/179228232.db2.gz WZLFMNHYNSSJGT-OPRDCNLKSA-N -1 3 286.401 1.105 10 0 CDAEHM O=C(N[C@H]1CCc2ccccc2C1)c1cc(=O)[n-]cn1 ZINC000623487236 347601142 /nfs/dbraw/zinc/60/11/42/347601142.db2.gz XOASBUZKFGIOGZ-LBPRGKRZSA-N -1 3 269.304 1.470 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)C(C)(C)n2cccn2)n1 ZINC000614163497 348005887 /nfs/dbraw/zinc/00/58/87/348005887.db2.gz COEAUFLGMHLKGT-UHFFFAOYSA-N -1 3 260.297 1.666 10 0 CDAEHM O=C(CCCc1cccnc1)NCc1ncccc1[O-] ZINC000614255779 348059790 /nfs/dbraw/zinc/05/97/90/348059790.db2.gz VSZIFTFXJFNZAG-UHFFFAOYSA-N -1 3 271.320 1.821 10 0 CDAEHM CO[C@H](C(=O)NCc1ncccc1[O-])C1CCCC1 ZINC000614256256 348060018 /nfs/dbraw/zinc/06/00/18/348060018.db2.gz XFNUHCQVGNZMPV-ZDUSSCGKSA-N -1 3 264.325 1.609 10 0 CDAEHM O=C(NCc1c[nH]c(=O)[nH]1)c1ccc2c(c1[O-])CCCC2 ZINC000614999346 348300264 /nfs/dbraw/zinc/30/02/64/348300264.db2.gz UPCQLSFNLBWRPX-UHFFFAOYSA-N -1 3 287.319 1.630 10 0 CDAEHM O=C(c1cccc2[n-]nnc21)N1CCC[C@@H]1c1cn[nH]c1 ZINC000615895924 348961353 /nfs/dbraw/zinc/96/13/53/348961353.db2.gz XJHKDJKLLTWRKH-GFCCVEGCSA-N -1 3 282.307 1.658 10 0 CDAEHM O=C(c1cccc2nn[n-]c21)N1CCC[C@@H]1c1cn[nH]c1 ZINC000615895924 348961355 /nfs/dbraw/zinc/96/13/55/348961355.db2.gz XJHKDJKLLTWRKH-GFCCVEGCSA-N -1 3 282.307 1.658 10 0 CDAEHM O=C(c1cccc2n[n-]nc21)N1CCC[C@@H]1c1cn[nH]c1 ZINC000615895924 348961357 /nfs/dbraw/zinc/96/13/57/348961357.db2.gz XJHKDJKLLTWRKH-GFCCVEGCSA-N -1 3 282.307 1.658 10 0 CDAEHM CC(=O)N[C@H](C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616020949 349246785 /nfs/dbraw/zinc/24/67/85/349246785.db2.gz SNQYDLMSSDJATH-SECBINFHSA-N -1 3 287.319 1.081 10 0 CDAEHM COC1(C(=O)NCc2ccc([O-])c3ncccc23)CC1 ZINC000616019987 349247082 /nfs/dbraw/zinc/24/70/82/349247082.db2.gz HZBCYZBAKHJZKA-UHFFFAOYSA-N -1 3 272.304 1.736 10 0 CDAEHM CCO[C@H]1C[C@@H]1C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616025698 349254316 /nfs/dbraw/zinc/25/43/16/349254316.db2.gz RPYXULGEBYANOE-JSGCOSHPSA-N -1 3 286.331 1.982 10 0 CDAEHM CSc1ccc([O-])c(C(=O)N2CCC3(COC3)C2)c1 ZINC000620285922 350117432 /nfs/dbraw/zinc/11/74/32/350117432.db2.gz DNUUUCGQHQCGNF-UHFFFAOYSA-N -1 3 279.361 1.977 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)o1 ZINC000621303723 350532217 /nfs/dbraw/zinc/53/22/17/350532217.db2.gz NMHUPCIFWKWNTP-QMMMGPOBSA-N -1 3 265.281 1.912 10 0 CDAEHM CNC1(CN=c2nc(CC(C)C)[n-]s2)CCC1 ZINC000621324724 350543785 /nfs/dbraw/zinc/54/37/85/350543785.db2.gz XHIRBSRWVNRXPL-UHFFFAOYSA-N -1 3 254.403 1.713 10 0 CDAEHM CSc1nnc(NC(=O)COCc2ccc(C)cc2)[n-]1 ZINC000621801450 350786653 /nfs/dbraw/zinc/78/66/53/350786653.db2.gz OFSCTHQDLJTWHL-UHFFFAOYSA-N -1 3 292.364 1.990 10 0 CDAEHM CSc1n[n-]c(NC(=O)COCc2ccc(C)cc2)n1 ZINC000621801450 350786657 /nfs/dbraw/zinc/78/66/57/350786657.db2.gz OFSCTHQDLJTWHL-UHFFFAOYSA-N -1 3 292.364 1.990 10 0 CDAEHM CSc1nc(NC(=O)COCc2ccc(C)cc2)n[n-]1 ZINC000621801450 350786664 /nfs/dbraw/zinc/78/66/64/350786664.db2.gz OFSCTHQDLJTWHL-UHFFFAOYSA-N -1 3 292.364 1.990 10 0 CDAEHM Cc1cnc(C(=O)N2CCC[C@H](N3CCCC3)C2)c([O-])c1 ZINC000408229458 358458099 /nfs/dbraw/zinc/45/80/99/358458099.db2.gz RYUSHRQAOZDRJZ-ZDUSSCGKSA-N -1 3 289.379 1.796 10 0 CDAEHM C[C@@H](CCO)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621916403 350855989 /nfs/dbraw/zinc/85/59/89/350855989.db2.gz JKIVVCVBLLTBBF-ZETCQYMHSA-N -1 3 277.242 1.912 10 0 CDAEHM C[C@H](CO)N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621936734 350872609 /nfs/dbraw/zinc/87/26/09/350872609.db2.gz MGBBIZFNTWGRIT-SSDOTTSWSA-N -1 3 277.242 1.864 10 0 CDAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1nc2ncc(C)cn2n1 ZINC000622122903 351019892 /nfs/dbraw/zinc/01/98/92/351019892.db2.gz VTWSMUBIHGREQM-UHFFFAOYSA-N -1 3 299.338 1.262 10 0 CDAEHM O=C(N[C@@H]1C[C@H](O)C12CCC2)c1c([O-])cccc1O ZINC000622175004 351053498 /nfs/dbraw/zinc/05/34/98/351053498.db2.gz WBJVKWASQHJVGD-MNOVXSKESA-N -1 3 263.293 1.131 10 0 CDAEHM CN(CCN(C)C1CC1)C(=O)c1s[n-]c(=O)c1Cl ZINC000622519037 351204999 /nfs/dbraw/zinc/20/49/99/351204999.db2.gz MSFPIMPXQWUKQB-UHFFFAOYSA-N -1 3 289.788 1.668 10 0 CDAEHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)C(F)F ZINC000390371373 351353275 /nfs/dbraw/zinc/35/32/75/351353275.db2.gz HOZCGDMKGPTSSZ-ZETCQYMHSA-N -1 3 260.265 1.490 10 0 CDAEHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCOC2(C)C)s1 ZINC000451692859 363072481 /nfs/dbraw/zinc/07/24/81/363072481.db2.gz GLZBLAQTFLVIDZ-MRVPVSSYSA-N -1 3 290.410 1.551 10 0 CDAEHM CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2c[nH]cn2)CCO1 ZINC000451815484 363133669 /nfs/dbraw/zinc/13/36/69/363133669.db2.gz HPEOASXPMGCWED-GHMZBOCLSA-N -1 3 287.385 1.139 10 0 CDAEHM O=C([N-]OCc1cccnc1)[C@H]1CCCc2[nH]ncc21 ZINC000155825281 188229510 /nfs/dbraw/zinc/22/95/10/188229510.db2.gz JMDCXUUTVLFDOQ-NSHDSACASA-N -1 3 272.308 1.473 10 0 CDAEHM CCNC(=O)N1CC[C@H](NC(=O)c2cccc(C)c2[O-])C1 ZINC000157994520 188351864 /nfs/dbraw/zinc/35/18/64/188351864.db2.gz WDQKNCJXTWRYCX-NSHDSACASA-N -1 3 291.351 1.234 10 0 CDAEHM [O-]c1nnn(-c2ccccc2)c1CN1CCCSCC1 ZINC000065522345 363303661 /nfs/dbraw/zinc/30/36/61/363303661.db2.gz IINMIBQCDKYIPL-UHFFFAOYSA-N -1 3 290.392 1.912 10 0 CDAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccs2)[C@@H](C)O1 ZINC000632649046 363296968 /nfs/dbraw/zinc/29/69/68/363296968.db2.gz XZGPCDDBYGLAKT-IWSPIJDZSA-N -1 3 261.368 1.592 10 0 CDAEHM O=S(=O)([N-]C1(CF)CCOCC1)c1ccccc1F ZINC000336305548 363336532 /nfs/dbraw/zinc/33/65/32/363336532.db2.gz UIPBXSFJWYQLNX-UHFFFAOYSA-N -1 3 291.319 1.623 10 0 CDAEHM O=C1C[C@]2(CCOC2)C(=O)[N-]N1c1ccc(F)cc1F ZINC000634581762 356125098 /nfs/dbraw/zinc/12/50/98/356125098.db2.gz CSFMHWQOLICGQN-ZDUSSCGKSA-N -1 3 282.246 1.139 10 0 CDAEHM Cc1cc([N-]C(=O)[C@@H](C)Nc2cnn3c2CCCC3)on1 ZINC000634578514 356093751 /nfs/dbraw/zinc/09/37/51/356093751.db2.gz IVZHUSVHHJJCQC-SNVBAGLBSA-N -1 3 289.339 1.955 10 0 CDAEHM CN1CCC[C@H]1CNC(=O)c1cc(F)c(F)c([O-])c1F ZINC000273515445 192183241 /nfs/dbraw/zinc/18/32/41/192183241.db2.gz PCVBSMUOOOUBBY-ZETCQYMHSA-N -1 3 288.269 1.634 10 0 CDAEHM c1nc2nc(=N[C@H]3CCCOC3)cc(-c3ccccc3)n2[n-]1 ZINC000631108932 356395759 /nfs/dbraw/zinc/39/57/59/356395759.db2.gz JABZJQGFUNQIEW-ZDUSSCGKSA-N -1 3 295.346 1.804 10 0 CDAEHM COc1ccc2cnn([C@H]3CCCOC3)c([O-])c-2c1=O ZINC000634622913 356588177 /nfs/dbraw/zinc/58/81/77/356588177.db2.gz SASWILUYXVLWTC-JTQLQIEISA-N -1 3 276.292 1.462 10 0 CDAEHM COc1ccc2cnn([C@H]3CCCOC3)c(=O)c2c1[O-] ZINC000634622913 356588180 /nfs/dbraw/zinc/58/81/80/356588180.db2.gz SASWILUYXVLWTC-JTQLQIEISA-N -1 3 276.292 1.462 10 0 CDAEHM O=C1C[C@]2(CCOC2)C(=O)[N-]N1c1ccc(Cl)c(F)c1 ZINC000634616435 356577742 /nfs/dbraw/zinc/57/77/42/356577742.db2.gz MOWIJVKTTFVEHE-ZDUSSCGKSA-N -1 3 298.701 1.654 10 0 CDAEHM O=C([O-])[C@@H]1Cc2c(Br)ccc(F)c2CN1 ZINC000725255747 538451769 /nfs/dbraw/zinc/45/17/69/538451769.db2.gz LEKPUVLNWDPVQG-VIFPVBQESA-N -1 3 274.089 1.687 10 0 CDAEHM C[C@H]1C[C@H](CNC(=O)c2cc(=O)[n-]cn2)C[C@@H](C)C1 ZINC000628059295 356649983 /nfs/dbraw/zinc/64/99/83/356649983.db2.gz MSIMAYGDNQDHQI-URLYPYJESA-N -1 3 263.341 1.984 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N1C[C@@H](C)C(O)[C@H](C)C1 ZINC000628080905 357068848 /nfs/dbraw/zinc/06/88/48/357068848.db2.gz IGRJZFMSLCNHAJ-GHMZBOCLSA-N -1 3 263.337 1.790 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000628082267 357070572 /nfs/dbraw/zinc/07/05/72/357070572.db2.gz PPTLNHNDDVOBSG-WDEREUQCSA-N -1 3 297.376 1.396 10 0 CDAEHM C[C@@](O)(CN1CCC(Oc2ccccc2F)CC1)C(=O)[O-] ZINC000634696094 357259147 /nfs/dbraw/zinc/25/91/47/357259147.db2.gz JWGJTAYYQAXQOC-OAHLLOKOSA-N -1 3 297.326 1.505 10 0 CDAEHM Cc1cc([N-]C(=O)[C@H](C)N2CC[C@@H](C)[C@@H](O)C2)on1 ZINC000408092498 357376442 /nfs/dbraw/zinc/37/64/42/357376442.db2.gz SCYFYPLBLATRLQ-MIMYLULJSA-N -1 3 267.329 1.013 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N(CC)CC(=O)NC(C)C)c1 ZINC000058305465 357392643 /nfs/dbraw/zinc/39/26/43/357392643.db2.gz FROVJQXAXZNNSP-UHFFFAOYSA-N -1 3 292.379 1.941 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCC[C@@H](C2OCCO2)C1 ZINC000182293633 357428903 /nfs/dbraw/zinc/42/89/03/357428903.db2.gz XSZBEWUPCAZGSI-GFCCVEGCSA-N -1 3 277.320 1.617 10 0 CDAEHM COc1ccc(C(=O)NC[C@@H]2CCC[C@H]2O)c([O-])c1 ZINC000089161575 357486508 /nfs/dbraw/zinc/48/65/08/357486508.db2.gz HWWQOZYXQMNDLG-JOYOIKCWSA-N -1 3 265.309 1.292 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@@H](C)[C@H](C)OC)c1 ZINC000188302548 357875551 /nfs/dbraw/zinc/87/55/51/357875551.db2.gz HTTZDXPPHABRHX-IUCAKERBSA-N -1 3 253.298 1.554 10 0 CDAEHM O=C(NOC[C@H]1CCOC1)c1ccc2c(c1[O-])CCCC2 ZINC000188329437 357879839 /nfs/dbraw/zinc/87/98/39/357879839.db2.gz HQHDPYIDQBDQDP-NSHDSACASA-N -1 3 291.347 1.969 10 0 CDAEHM O=S(=O)(CC(F)(F)F)[N-][C@H]1CCN2CCCC[C@@H]12 ZINC000335892104 358004344 /nfs/dbraw/zinc/00/43/44/358004344.db2.gz RGFUBWDWNDCQAX-IUCAKERBSA-N -1 3 286.319 1.095 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1CCC[C@@H]1O)c1cccs1 ZINC000084231921 358228980 /nfs/dbraw/zinc/22/89/80/358228980.db2.gz IRDDQJBSMYFHJD-IUCAKERBSA-N -1 3 261.368 1.187 10 0 CDAEHM O=C([N-][C@H]1CCN(c2ccccc2)C1=O)C(F)F ZINC000194593001 358381978 /nfs/dbraw/zinc/38/19/78/358381978.db2.gz PUXUIFBZQXTPBF-VIFPVBQESA-N -1 3 254.236 1.173 10 0 CDAEHM C[N-]S(=O)(=O)c1c(C)ccc(Br)c1F ZINC000616568620 358432309 /nfs/dbraw/zinc/43/23/09/358432309.db2.gz LDIHHRSEGURKAI-UHFFFAOYSA-N -1 3 282.134 1.805 10 0 CDAEHM O=S(=O)([N-]C[C@H]1CC12CCSCC2)c1ccccn1 ZINC000643215528 358740969 /nfs/dbraw/zinc/74/09/69/358740969.db2.gz RFPNKAQISBEVGW-LLVKDONJSA-N -1 3 298.433 1.893 10 0 CDAEHM COc1cccc(C(=O)N(C)Cc2cnn(C)c2)c1[O-] ZINC000042335928 358934592 /nfs/dbraw/zinc/93/45/92/358934592.db2.gz GMCQXBIFMPCFCG-UHFFFAOYSA-N -1 3 275.308 1.407 10 0 CDAEHM CNC(=O)[C@@H]1CCCN1C(=O)c1cc(C)ccc1[O-] ZINC000042396877 358942720 /nfs/dbraw/zinc/94/27/20/358942720.db2.gz AAVMJFQSUWGDQQ-NSHDSACASA-N -1 3 262.309 1.051 10 0 CDAEHM C[C@H](NCc1nc(=O)n(C)[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC000408213765 359177064 /nfs/dbraw/zinc/17/70/64/359177064.db2.gz DDALTWDNCUXXFP-HXTFMFRQSA-N -1 3 290.411 1.803 10 0 CDAEHM O=C(c1cc2c(cc1[O-])CCCC2)N1CC[C@@](F)(CO)C1 ZINC000336480496 363622723 /nfs/dbraw/zinc/62/27/23/363622723.db2.gz ZYGOQUCWQZSITR-INIZCTEOSA-N -1 3 293.338 1.818 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2C[C@@H](C)OCC[C@H]2C)n1 ZINC001660668027 1172255220 /nfs/dbraw/zinc/25/52/20/1172255220.db2.gz UQGZOVWMBJIHCR-GHMZBOCLSA-N -1 3 265.357 1.744 10 0 CDAEHM Cc1ccc(C(=O)NCC[C@H](C)[S@@](C)=O)c([O-])c1C ZINC000158180690 237127616 /nfs/dbraw/zinc/12/76/16/237127616.db2.gz HZUZTAUWLVXNJA-OVWNDWIMSA-N -1 3 283.393 1.896 10 0 CDAEHM COc1cc(CNCc2ncccc2[O-])cc(OC)c1O ZINC000347805705 359628573 /nfs/dbraw/zinc/62/85/73/359628573.db2.gz QAIXLPHQAMEQKU-UHFFFAOYSA-N -1 3 290.319 1.800 10 0 CDAEHM CCn1nc(C)c(CNCc2ncccc2[O-])c1C ZINC000348051582 359802936 /nfs/dbraw/zinc/80/29/36/359802936.db2.gz XWVMZHREPRXALD-UHFFFAOYSA-N -1 3 260.341 1.910 10 0 CDAEHM CNC(=O)c1nn[n-]c1NC(=O)CC(C)(C)C(F)(F)F ZINC000297866229 200295278 /nfs/dbraw/zinc/29/52/78/200295278.db2.gz ZCGWEBQIWYKNHY-UHFFFAOYSA-N -1 3 293.249 1.081 10 0 CDAEHM CNC(=O)c1[n-]nnc1NC(=O)CC(C)(C)C(F)(F)F ZINC000297866229 200295279 /nfs/dbraw/zinc/29/52/79/200295279.db2.gz ZCGWEBQIWYKNHY-UHFFFAOYSA-N -1 3 293.249 1.081 10 0 CDAEHM CNC(=O)c1n[n-]nc1NC(=O)CC(C)(C)C(F)(F)F ZINC000297866229 200295281 /nfs/dbraw/zinc/29/52/81/200295281.db2.gz ZCGWEBQIWYKNHY-UHFFFAOYSA-N -1 3 293.249 1.081 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)COCC2CC2)n[n-]1 ZINC000119479024 359914238 /nfs/dbraw/zinc/91/42/38/359914238.db2.gz HWRRKCHAGYMGNU-UHFFFAOYSA-N -1 3 275.312 1.175 10 0 CDAEHM Cn1ccnc1-c1cc(NC(=O)COCC2CC2)[n-]n1 ZINC000119479024 359914243 /nfs/dbraw/zinc/91/42/43/359914243.db2.gz HWRRKCHAGYMGNU-UHFFFAOYSA-N -1 3 275.312 1.175 10 0 CDAEHM COc1cc(=NC(=O)N[C@H](C)c2nc(C)cs2)[n-]n1C ZINC000548494061 359935283 /nfs/dbraw/zinc/93/52/83/359935283.db2.gz AAFGMGBZMVEEBL-MRVPVSSYSA-N -1 3 295.368 1.498 10 0 CDAEHM CN(C)C(=O)C1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000298084236 200329529 /nfs/dbraw/zinc/32/95/29/200329529.db2.gz QHDOBDDTMIYDOQ-UHFFFAOYSA-N -1 3 276.336 1.333 10 0 CDAEHM COc1ccc(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])cn1 ZINC000424420784 360049236 /nfs/dbraw/zinc/04/92/36/360049236.db2.gz QVCQBFZAVUHIHU-GXFFZTMASA-N -1 3 264.325 1.775 10 0 CDAEHM Cn1cc(OCC(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cn1 ZINC000337603640 360281264 /nfs/dbraw/zinc/28/12/64/360281264.db2.gz POLJEYCNWCFUAZ-UHFFFAOYSA-N -1 3 297.318 1.250 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCCOCC1 ZINC000336542140 363720137 /nfs/dbraw/zinc/72/01/37/363720137.db2.gz RSCKGZPEBSEVRF-NSHDSACASA-N -1 3 267.300 1.964 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000177586139 189058513 /nfs/dbraw/zinc/05/85/13/189058513.db2.gz MULOCLXJQDNNEJ-LLVKDONJSA-N -1 3 288.307 1.257 10 0 CDAEHM CC[C@H]1[C@@H](CO)CCN1C(=O)c1cc(OC)ccc1[O-] ZINC000331338622 360747588 /nfs/dbraw/zinc/74/75/88/360747588.db2.gz WCWMBROTWDFFFA-MFKMUULPSA-N -1 3 279.336 1.634 10 0 CDAEHM CC(C)[C@@H]1CCCCN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000408397387 360791055 /nfs/dbraw/zinc/79/10/55/360791055.db2.gz UXERUIPIZJKYLB-LBPRGKRZSA-N -1 3 292.383 1.899 10 0 CDAEHM COc1cc(C(=O)N2CCCSCC2)cc(OC)c1[O-] ZINC000338247388 360777529 /nfs/dbraw/zinc/77/75/29/360777529.db2.gz ZXKZYVSITRETPH-UHFFFAOYSA-N -1 3 297.376 1.989 10 0 CDAEHM COc1nnc(NC(=O)CSCc2ccncc2)[n-]1 ZINC000179365618 189189073 /nfs/dbraw/zinc/18/90/73/189189073.db2.gz LIJVENTVSYGNEC-UHFFFAOYSA-N -1 3 279.325 1.080 10 0 CDAEHM COc1nc(NC(=O)CSCc2ccncc2)n[n-]1 ZINC000179365618 189189074 /nfs/dbraw/zinc/18/90/74/189189074.db2.gz LIJVENTVSYGNEC-UHFFFAOYSA-N -1 3 279.325 1.080 10 0 CDAEHM COc1n[n-]c(NC(=O)CSCc2ccncc2)n1 ZINC000179365618 189189075 /nfs/dbraw/zinc/18/90/75/189189075.db2.gz LIJVENTVSYGNEC-UHFFFAOYSA-N -1 3 279.325 1.080 10 0 CDAEHM CN(C)c1nc(C(=O)N2CC[C@H](C(C)(C)C)C2)cc(=O)[n-]1 ZINC000338800399 361022587 /nfs/dbraw/zinc/02/25/87/361022587.db2.gz PPBNXAXYKIKGSM-JTQLQIEISA-N -1 3 292.383 1.756 10 0 CDAEHM CC[C@](NC(=O)c1cccc([O-])c1)(C(N)=O)C(C)C ZINC000180288042 189248500 /nfs/dbraw/zinc/24/85/00/189248500.db2.gz ZLEUAJGISKMFJD-CQSZACIVSA-N -1 3 264.325 1.412 10 0 CDAEHM Cc1ccc(C(=O)N[C@H]2C[C@H](C(N)=O)C2)c([O-])c1C ZINC000628777278 361075156 /nfs/dbraw/zinc/07/51/56/361075156.db2.gz GGIAQXCQVZDSOM-MGCOHNPYSA-N -1 3 262.309 1.003 10 0 CDAEHM NC(=O)c1csc(=NCCC[C@@H]2CCCCO2)[n-]1 ZINC000432161126 361115921 /nfs/dbraw/zinc/11/59/21/361115921.db2.gz DLXSXDQSWYWKPA-VIFPVBQESA-N -1 3 269.370 1.425 10 0 CDAEHM Cc1cc(F)ccc1CCN=c1[n-]c(C(N)=O)cs1 ZINC000432333754 361147880 /nfs/dbraw/zinc/14/78/80/361147880.db2.gz HAYIYIICWVOODB-UHFFFAOYSA-N -1 3 279.340 1.766 10 0 CDAEHM NC(=O)c1csc(=NCCCc2ccccc2)[n-]1 ZINC000432337971 361148826 /nfs/dbraw/zinc/14/88/26/361148826.db2.gz DCUPHPAWAZUPAT-UHFFFAOYSA-N -1 3 261.350 1.709 10 0 CDAEHM CCC(CC)[C@H](CCN=c1[n-]c(C(N)=O)cs1)OC ZINC000432337987 361148841 /nfs/dbraw/zinc/14/88/41/361148841.db2.gz DDODMYPBXDVPFG-NSHDSACASA-N -1 3 285.413 1.917 10 0 CDAEHM CC(C)c1ccc(C(=O)NC[C@H]2COCCN2C)c([O-])c1 ZINC000628918246 361305832 /nfs/dbraw/zinc/30/58/32/361305832.db2.gz NQXIOPKKJARWKJ-ZDUSSCGKSA-N -1 3 292.379 1.576 10 0 CDAEHM COC(=O)CCS(=O)(=O)[N-]c1cc2[nH]ccc2cc1C ZINC000357068124 366734238 /nfs/dbraw/zinc/73/42/38/366734238.db2.gz DIMQXZOHFVLCAP-UHFFFAOYSA-N -1 3 296.348 1.781 10 0 CDAEHM CC(C)(C)n1cc(C(=O)C(=O)[N-]c2cnns2)cn1 ZINC000357113738 366771570 /nfs/dbraw/zinc/77/15/70/366771570.db2.gz HDCVFRISWJIMCO-UHFFFAOYSA-N -1 3 279.325 1.311 10 0 CDAEHM C[C@]1(CNC(=O)Cc2cncc([O-])c2)C[C@H]2C[C@H]2C1 ZINC000629046012 361441463 /nfs/dbraw/zinc/44/14/63/361441463.db2.gz MMNPFQNSWMSFIW-JYAVWHMHSA-N -1 3 260.337 1.882 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1cn(CC)cn1)[C@@H]1CCCO1 ZINC000339449281 361515628 /nfs/dbraw/zinc/51/56/28/361515628.db2.gz HSDZGNWLERHIRU-QWRGUYRKSA-N -1 3 287.385 1.139 10 0 CDAEHM COC(=O)c1cc(C(=O)[N-]c2cc(F)ccc2O)no1 ZINC000436703532 361561281 /nfs/dbraw/zinc/56/12/81/361561281.db2.gz DZSJDSLQVNHTPM-UHFFFAOYSA-N -1 3 280.211 1.558 10 0 CDAEHM CO[C@H](C)CN(C(=O)c1ccc(O)cc1[O-])C(C)C ZINC000436615659 361542600 /nfs/dbraw/zinc/54/26/00/361542600.db2.gz BGHGZOYKCVRFOE-SNVBAGLBSA-N -1 3 267.325 1.983 10 0 CDAEHM CN(C)C(=O)C1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000436621744 361543963 /nfs/dbraw/zinc/54/39/63/361543963.db2.gz BDKRMAXCMVBZMG-UHFFFAOYSA-N -1 3 292.335 1.038 10 0 CDAEHM COc1cccc(C(=O)N[C@@H](C)c2nc(C)no2)c1[O-] ZINC000436621190 361544305 /nfs/dbraw/zinc/54/43/05/361544305.db2.gz CTPHHJLBVMSBOE-ZETCQYMHSA-N -1 3 277.280 1.583 10 0 CDAEHM CCCn1c(SCc2c(C)nnn2CC)n[n-]c1=O ZINC000562539716 361580379 /nfs/dbraw/zinc/58/03/79/361580379.db2.gz ZFRQQMHNNQPEAN-UHFFFAOYSA-N -1 3 282.373 1.606 10 0 CDAEHM O=C(C[C@@H]1C=CCC1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282885464 239122746 /nfs/dbraw/zinc/12/27/46/239122746.db2.gz JWOIDIHMAYPRPY-GHMZBOCLSA-N -1 3 276.340 1.160 10 0 CDAEHM COCC[C@@H](COC)NC(=O)c1ccc(C)cc1[O-] ZINC000311781882 239424375 /nfs/dbraw/zinc/42/43/75/239424375.db2.gz HYRDDNLYAQRSAE-NSHDSACASA-N -1 3 267.325 1.482 10 0 CDAEHM CCC1([N-]S(=O)(=O)c2c[nH]c(=O)s2)CCCC1 ZINC000632391836 364055473 /nfs/dbraw/zinc/05/54/73/364055473.db2.gz OKEKBCWMOAEBFZ-UHFFFAOYSA-N -1 3 276.383 1.850 10 0 CDAEHM C[C@@H]1CN(Cc2c(F)ccc([O-])c2F)CCN1CCO ZINC000352981619 364694439 /nfs/dbraw/zinc/69/44/39/364694439.db2.gz FGNOAVBLTQRPQT-SNVBAGLBSA-N -1 3 286.322 1.169 10 0 CDAEHM CN(C)c1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000352992900 364699899 /nfs/dbraw/zinc/69/98/99/364699899.db2.gz SDHHWHZFJDVJBJ-UHFFFAOYSA-N -1 3 271.320 1.783 10 0 CDAEHM COC(=O)[C@@]1(NC(=O)c2cccc(C)c2[O-])CCSC1 ZINC000270784637 364756951 /nfs/dbraw/zinc/75/69/51/364756951.db2.gz SGSHBUQEUIIUSB-CQSZACIVSA-N -1 3 295.360 1.479 10 0 CDAEHM O=C(NCCC[C@H]1CCOC1)NCc1ncccc1[O-] ZINC000455534910 252397044 /nfs/dbraw/zinc/39/70/44/252397044.db2.gz SKVPULLHLVZCTC-NSHDSACASA-N -1 3 279.340 1.403 10 0 CDAEHM CCC[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)C1CCCCC1 ZINC000111606441 364958397 /nfs/dbraw/zinc/95/83/97/364958397.db2.gz MATUYPWNLJEQDI-GFCCVEGCSA-N -1 3 295.383 1.403 10 0 CDAEHM Cc1nc(C(C)(C)NC(=O)c2cccc([O-])c2)no1 ZINC000272845488 365418399 /nfs/dbraw/zinc/41/83/99/365418399.db2.gz RXERPXQPFFDYLN-UHFFFAOYSA-N -1 3 261.281 1.749 10 0 CDAEHM C[C@H](OCC(=O)Nc1cc(F)ccc1[O-])c1nccn1C ZINC000354502738 365515788 /nfs/dbraw/zinc/51/57/88/365515788.db2.gz YDOKHMDUXNOPMR-VIFPVBQESA-N -1 3 293.298 1.981 10 0 CDAEHM C[C@H](C[N-]S(=O)(=O)c1cncc(F)c1)Cn1ccnc1 ZINC000414461943 241213438 /nfs/dbraw/zinc/21/34/38/241213438.db2.gz DZTAKGMUOTYOPL-SNVBAGLBSA-N -1 3 298.343 1.032 10 0 CDAEHM 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-1 3 280.368 1.328 10 0 CDAEHM c1ccc(COc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000095249546 342431516 /nfs/dbraw/zinc/43/15/16/342431516.db2.gz VLJQLDIKAPQQBV-UHFFFAOYSA-N -1 3 253.265 1.841 10 0 CDAEHM c1ccc(COc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000095249546 342431517 /nfs/dbraw/zinc/43/15/17/342431517.db2.gz VLJQLDIKAPQQBV-UHFFFAOYSA-N -1 3 253.265 1.841 10 0 CDAEHM CCOC[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000147125330 342435857 /nfs/dbraw/zinc/43/58/57/342435857.db2.gz ZJMAANVZRSWZQM-QMMMGPOBSA-N -1 3 279.308 1.668 10 0 CDAEHM CCc1cccc(C(=O)N[C@H](CC)C(=O)OC)c1[O-] ZINC000092426399 342412210 /nfs/dbraw/zinc/41/22/10/342412210.db2.gz WZFAJHJSLXGVPQ-LLVKDONJSA-N -1 3 265.309 1.636 10 0 CDAEHM CCN=c1[n-]c(C(=O)NC(C)(C)C(=O)OCC)cs1 ZINC000597110965 343449942 /nfs/dbraw/zinc/44/99/42/343449942.db2.gz MPJYSPWCHNCKJJ-UHFFFAOYSA-N -1 3 285.369 1.068 10 0 CDAEHM COC(=O)[C@H]1C[C@@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000155661985 136395729 /nfs/dbraw/zinc/39/57/29/136395729.db2.gz NANMFRDXWRCLLC-QWRGUYRKSA-N -1 3 275.304 1.481 10 0 CDAEHM O=C(NCCc1ccon1)c1cc(=O)c2ccccc2[n-]1 ZINC000354887413 365754176 /nfs/dbraw/zinc/75/41/76/365754176.db2.gz GWLHOIWSNCXMQL-UHFFFAOYSA-N -1 3 283.287 1.489 10 0 CDAEHM COC(=O)C[C@@H](CNC(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000598272514 343749069 /nfs/dbraw/zinc/74/90/69/343749069.db2.gz JWHFGCXOFWIMKW-JTQLQIEISA-N -1 3 293.319 1.417 10 0 CDAEHM CCOC(=O)c1ncc(NC(=O)COc2ccsc2)[n-]1 ZINC000619727749 349874415 /nfs/dbraw/zinc/87/44/15/349874415.db2.gz FTRZOODIMSFQAP-UHFFFAOYSA-N -1 3 295.320 1.665 10 0 CDAEHM CCOC(=O)c1nc(NC(=O)COc2ccsc2)c[n-]1 ZINC000619727749 349874418 /nfs/dbraw/zinc/87/44/18/349874418.db2.gz FTRZOODIMSFQAP-UHFFFAOYSA-N -1 3 295.320 1.665 10 0 CDAEHM COC(=O)c1nc[n-]c1NC(=O)[C@H]1CCC1(C)C ZINC000598847644 343911375 /nfs/dbraw/zinc/91/13/75/343911375.db2.gz OIRCZDSAMWMZFP-SSDOTTSWSA-N -1 3 251.286 1.571 10 0 CDAEHM COC(=O)c1[n-]cnc1NC(=O)[C@H]1CCC1(C)C ZINC000598847644 343911378 /nfs/dbraw/zinc/91/13/78/343911378.db2.gz OIRCZDSAMWMZFP-SSDOTTSWSA-N -1 3 251.286 1.571 10 0 CDAEHM CN(C)[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000147682349 362436265 /nfs/dbraw/zinc/43/62/65/362436265.db2.gz UOKJLNSLTBPQNS-JTQLQIEISA-N -1 3 252.289 1.307 10 0 CDAEHM CCc1ccc(C(=O)N[C@@H](CO)C2CCC2)c([O-])c1 ZINC000617311466 345146219 /nfs/dbraw/zinc/14/62/19/345146219.db2.gz DMEXICDDBDHVKQ-ZDUSSCGKSA-N -1 3 263.337 1.845 10 0 CDAEHM CCN(C(=O)c1ccc([O-])c(F)c1)[C@@H]1CCN(C)C1 ZINC000617552282 345846676 /nfs/dbraw/zinc/84/66/76/345846676.db2.gz KWDZJUVONRCQBG-LLVKDONJSA-N -1 3 266.316 1.698 10 0 CDAEHM CCC[C@@](C)(N)C(=O)N[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000085324295 179017143 /nfs/dbraw/zinc/01/71/43/179017143.db2.gz UVDHEVBOHASIJF-OUJBWJOFSA-N -1 3 256.346 1.264 10 0 CDAEHM O=C(c1cccc2[n-]nnc21)N1C[C@@H]2C[C@H]1CS2 ZINC000584574862 346361566 /nfs/dbraw/zinc/36/15/66/346361566.db2.gz BJJQOLRCKTUMAT-YUMQZZPRSA-N -1 3 260.322 1.288 10 0 CDAEHM O=C(c1cccc2nn[n-]c21)N1C[C@@H]2C[C@H]1CS2 ZINC000584574862 346361568 /nfs/dbraw/zinc/36/15/68/346361568.db2.gz BJJQOLRCKTUMAT-YUMQZZPRSA-N -1 3 260.322 1.288 10 0 CDAEHM O=C(c1cccc2n[n-]nc21)N1C[C@@H]2C[C@H]1CS2 ZINC000584574862 346361571 /nfs/dbraw/zinc/36/15/71/346361571.db2.gz BJJQOLRCKTUMAT-YUMQZZPRSA-N -1 3 260.322 1.288 10 0 CDAEHM COc1cc(=NC(=O)N2CC[C@@H]3CCCC[C@@H]32)[n-]n1C ZINC000584588828 346375483 /nfs/dbraw/zinc/37/54/83/346375483.db2.gz GIYDREIQZRZSLK-QWRGUYRKSA-N -1 3 278.356 1.647 10 0 CDAEHM CCCN1CC[C@H](NC(=O)c2s[n-]c(=O)c2Cl)C1 ZINC000619905409 349961468 /nfs/dbraw/zinc/96/14/68/349961468.db2.gz XAAHXUFLHUAYGW-ZETCQYMHSA-N -1 3 289.788 1.716 10 0 CDAEHM CCn1ccnc1CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000229223018 346536307 /nfs/dbraw/zinc/53/63/07/346536307.db2.gz MSWKXHJFJGUTAI-GMXVVIOVSA-N -1 3 263.341 1.588 10 0 CDAEHM COc1cc(Cl)c(C)cc1NC(=O)[C@@H](N)CC(=O)[O-] ZINC000085810889 179177250 /nfs/dbraw/zinc/17/72/50/179177250.db2.gz SDLMMXUOOGAMNP-QMMMGPOBSA-N -1 3 286.715 1.398 10 0 CDAEHM Cc1ccc([C@@H](C)NC(=O)[C@H](N)CCC(=O)[O-])c(C)c1 ZINC000085820101 179182777 /nfs/dbraw/zinc/18/27/77/179182777.db2.gz TURDEJGSXMWCSE-DGCLKSJQSA-N -1 3 278.352 1.673 10 0 CDAEHM N[C@H](CCC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000085819732 179182940 /nfs/dbraw/zinc/18/29/40/179182940.db2.gz LWGSWVZGZJILBL-IWSPIJDZSA-N -1 3 296.289 1.416 10 0 CDAEHM CCN(Cc1cccc(C)c1)C(=O)[C@H](N)CCC(=O)[O-] ZINC000085839062 179185049 /nfs/dbraw/zinc/18/50/49/179185049.db2.gz WCBLDIJFFSWVAE-CYBMUJFWSA-N -1 3 278.352 1.536 10 0 CDAEHM CCOc1cc(C)ccc1NC(=O)[C@@H](N)CC(=O)[O-] ZINC000085815157 179179430 /nfs/dbraw/zinc/17/94/30/179179430.db2.gz QXXKVPRYMYYQAH-VIFPVBQESA-N -1 3 266.297 1.134 10 0 CDAEHM C[C@@H](NC(=O)[C@H](N)CC(=O)[O-])c1cccc2ccccc21 ZINC000085817566 179180276 /nfs/dbraw/zinc/18/02/76/179180276.db2.gz FIYNMUHYHBJCBF-QMTHXVAHSA-N -1 3 286.331 1.819 10 0 CDAEHM CCOc1ccc(NC(=O)[C@H](N)CCC(=O)[O-])cc1 ZINC000085818392 179181022 /nfs/dbraw/zinc/18/10/22/179181022.db2.gz INNDRZKXSKJKCW-LLVKDONJSA-N -1 3 266.297 1.216 10 0 CDAEHM Cc1cnc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c([O-])c1 ZINC000408228619 358452864 /nfs/dbraw/zinc/45/28/64/358452864.db2.gz JCGJMPHXFVIMGY-VXGBXAGGSA-N -1 3 277.368 1.650 10 0 CDAEHM CO[C@@H](C(=O)N1CCCc2cccc([O-])c21)[C@H]1CCOC1 ZINC000613162093 347438234 /nfs/dbraw/zinc/43/82/34/347438234.db2.gz YRUKIZHXVATMAL-SWLSCSKDSA-N -1 3 291.347 1.723 10 0 CDAEHM Cc1c(C(=O)Nc2nc(C)ccc2[O-])nn2c1OCCC2 ZINC000450530569 362831054 /nfs/dbraw/zinc/83/10/54/362831054.db2.gz DHXGLGVPMCTHOF-UHFFFAOYSA-N -1 3 288.307 1.635 10 0 CDAEHM O=C(NCCCn1cccn1)c1cc(=O)c2ccccc2[n-]1 ZINC000053461744 347741473 /nfs/dbraw/zinc/74/14/73/347741473.db2.gz KHIKOXOMDZDWMS-UHFFFAOYSA-N -1 3 296.330 1.545 10 0 CDAEHM COc1cc(=NC(=O)[C@H](C)Cc2ccco2)[n-]n1C ZINC000613614491 347802104 /nfs/dbraw/zinc/80/21/04/347802104.db2.gz BFTZCQUADXIXKS-SECBINFHSA-N -1 3 263.297 1.261 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CC[C@H](N2CCC2)[C@@H](F)C1 ZINC000614094528 347998089 /nfs/dbraw/zinc/99/80/89/347998089.db2.gz TXKZPNWJXTXZKT-STQMWFEESA-N -1 3 294.326 1.356 10 0 CDAEHM CC(C)(O)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000087030733 179383382 /nfs/dbraw/zinc/38/33/82/179383382.db2.gz ROFFZDMPHQWXRU-UHFFFAOYSA-N -1 3 260.293 1.029 10 0 CDAEHM COc1cc(C(=O)N2Cc3c[nH]nc3C2)cc(OC)c1[O-] ZINC000615130670 348349230 /nfs/dbraw/zinc/34/92/30/348349230.db2.gz OLGSKTPPGCFGRX-UHFFFAOYSA-N -1 3 289.291 1.289 10 0 CDAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000450748537 362885184 /nfs/dbraw/zinc/88/51/84/362885184.db2.gz UIZNWPBYOROBCC-PHDIDXHHSA-N -1 3 262.235 1.486 10 0 CDAEHM CC[C@@H]1C[C@H]1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000450748537 362885189 /nfs/dbraw/zinc/88/51/89/362885189.db2.gz UIZNWPBYOROBCC-PHDIDXHHSA-N -1 3 262.235 1.486 10 0 CDAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000450748537 362885200 /nfs/dbraw/zinc/88/52/00/362885200.db2.gz UIZNWPBYOROBCC-PHDIDXHHSA-N -1 3 262.235 1.486 10 0 CDAEHM Cn1cc(-n2cnc(-c3ccccc3)c2)cc([O-])c1=O ZINC000145450596 348743415 /nfs/dbraw/zinc/74/34/15/348743415.db2.gz YBXVGGTWMHMZCD-UHFFFAOYSA-N -1 3 267.288 1.944 10 0 CDAEHM Cn1cnc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000069115555 349090464 /nfs/dbraw/zinc/09/04/64/349090464.db2.gz AGPZSIDBUHBGSL-VXGBXAGGSA-N -1 3 277.349 1.255 10 0 CDAEHM CC(C)[C@H](O)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022392 349248846 /nfs/dbraw/zinc/24/88/46/349248846.db2.gz FZQSVOXOZQXHLE-AWEZNQCLSA-N -1 3 274.320 1.574 10 0 CDAEHM CC12CC(C1)CN2C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000621212998 350487021 /nfs/dbraw/zinc/48/70/21/350487021.db2.gz DBXZVTGNULGDGH-UHFFFAOYSA-N -1 3 270.288 1.195 10 0 CDAEHM O=C(Nc1nnc(-c2ccco2)[n-]1)C1=COCCC1 ZINC000107761611 186190695 /nfs/dbraw/zinc/19/06/95/186190695.db2.gz PWYSBTHQJWAAEU-UHFFFAOYSA-N -1 3 260.253 1.698 10 0 CDAEHM O=C(Nc1nc(-c2ccco2)n[n-]1)C1=COCCC1 ZINC000107761611 186190696 /nfs/dbraw/zinc/19/06/96/186190696.db2.gz PWYSBTHQJWAAEU-UHFFFAOYSA-N -1 3 260.253 1.698 10 0 CDAEHM O=C(Nc1n[n-]c(-c2ccco2)n1)C1=COCCC1 ZINC000107761611 186190697 /nfs/dbraw/zinc/19/06/97/186190697.db2.gz PWYSBTHQJWAAEU-UHFFFAOYSA-N -1 3 260.253 1.698 10 0 CDAEHM CNC(=O)[C@H](C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621702171 350731327 /nfs/dbraw/zinc/73/13/27/350731327.db2.gz JFDAAOSJLZEZIU-LURJTMIESA-N -1 3 290.241 1.275 10 0 CDAEHM CO[C@@H]1CC[C@H](C(=O)N=c2cc(-c3cccnc3)[n-][nH]2)C1 ZINC000621787760 350782427 /nfs/dbraw/zinc/78/24/27/350782427.db2.gz FDGHMTZJWJMGIO-CMPLNLGQSA-N -1 3 286.335 1.647 10 0 CDAEHM O=C(c1cc(F)c[n-]c1=O)N1CCOCC2(CC2)C1 ZINC000621949695 350884609 /nfs/dbraw/zinc/88/46/09/350884609.db2.gz RNLROSZQMWJAAW-UHFFFAOYSA-N -1 3 266.272 1.179 10 0 CDAEHM CC(=O)NCc1ccc(C(=O)[N-]c2nc(C)no2)s1 ZINC000067592051 350960878 /nfs/dbraw/zinc/96/08/78/350960878.db2.gz PFXQPYIIYJRURE-UHFFFAOYSA-N -1 3 280.309 1.328 10 0 CDAEHM CC1(C)OCC[C@H]1NC(=O)c1cc(F)c[n-]c1=O ZINC000622075852 350973115 /nfs/dbraw/zinc/97/31/15/350973115.db2.gz MXLPNPIOBPWNLY-SECBINFHSA-N -1 3 254.261 1.224 10 0 CDAEHM O=C(N[C@H]1CCNC1=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622133680 351026812 /nfs/dbraw/zinc/02/68/12/351026812.db2.gz GLHHDPZTFTZEGL-VIFPVBQESA-N -1 3 288.225 1.029 10 0 CDAEHM Cc1nc(C)c(CCC(=O)NC[C@@]2(C)CC2(F)F)c(=O)[n-]1 ZINC000622171223 351050936 /nfs/dbraw/zinc/05/09/36/351050936.db2.gz CWDNKBGYJXENBF-CYBMUJFWSA-N -1 3 299.321 1.893 10 0 CDAEHM CC1(C)CC(NC(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000622183439 351058679 /nfs/dbraw/zinc/05/86/79/351058679.db2.gz UPOPEDNTZHHLIW-UHFFFAOYSA-N -1 3 276.336 1.427 10 0 CDAEHM Cc1c(Cl)c(C(=O)NCc2ncccc2[O-])nn1C ZINC000622570941 351216330 /nfs/dbraw/zinc/21/63/30/351216330.db2.gz ZFVWAZIXAJADQM-UHFFFAOYSA-N -1 3 280.715 1.413 10 0 CDAEHM Cc1c(C(=O)NCc2ncccc2[O-])nn2c1OCCC2 ZINC000622570778 351216415 /nfs/dbraw/zinc/21/64/15/351216415.db2.gz ROPHNQBKEAJCIM-UHFFFAOYSA-N -1 3 288.307 1.005 10 0 CDAEHM CCc1cc(C(=O)NCCCN2CCCC2=O)ccc1[O-] ZINC000291455771 198027091 /nfs/dbraw/zinc/02/70/91/198027091.db2.gz MRTYQFMGXKUPFR-UHFFFAOYSA-N -1 3 290.363 1.697 10 0 CDAEHM CS[C@H](C)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291470969 198030795 /nfs/dbraw/zinc/03/07/95/198030795.db2.gz FDQJFJGFYSWKMG-SSDOTTSWSA-N -1 3 295.364 1.273 10 0 CDAEHM [O-]c1cccnc1CNCc1cccc2nccn21 ZINC000355281281 366040666 /nfs/dbraw/zinc/04/06/66/366040666.db2.gz OECAIEIUADKARK-UHFFFAOYSA-N -1 3 254.293 1.725 10 0 CDAEHM CCCCC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000557027259 290323223 /nfs/dbraw/zinc/32/32/23/290323223.db2.gz XKHNTYOLIQJNMO-VIFPVBQESA-N -1 3 251.334 1.081 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCc2ncccc2C)o1 ZINC000451819780 363134850 /nfs/dbraw/zinc/13/48/50/363134850.db2.gz WWWVDSGECFSRJP-UHFFFAOYSA-N -1 3 280.349 1.812 10 0 CDAEHM O=C(c1cc(=O)[n-]cn1)N1CC(Cc2cccs2)C1 ZINC000629628134 363225227 /nfs/dbraw/zinc/22/52/27/363225227.db2.gz BDKDJJPFVOHCME-UHFFFAOYSA-N -1 3 275.333 1.558 10 0 CDAEHM COc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)[n-]1 ZINC000158885952 188398779 /nfs/dbraw/zinc/39/87/79/188398779.db2.gz QVQISTLSVOHZNL-ZETCQYMHSA-N -1 3 296.714 1.873 10 0 CDAEHM COc1nc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)n[n-]1 ZINC000158885952 188398780 /nfs/dbraw/zinc/39/87/80/188398780.db2.gz QVQISTLSVOHZNL-ZETCQYMHSA-N -1 3 296.714 1.873 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)n1 ZINC000158885952 188398781 /nfs/dbraw/zinc/39/87/81/188398781.db2.gz QVQISTLSVOHZNL-ZETCQYMHSA-N -1 3 296.714 1.873 10 0 CDAEHM CCCCN(CCCC)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000065504949 363294797 /nfs/dbraw/zinc/29/47/97/363294797.db2.gz FIKWSXHTMIYCHW-JTQLQIEISA-N -1 3 269.345 1.013 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H](C)O[C@H]2C)nc1C ZINC000632649112 363298414 /nfs/dbraw/zinc/29/84/14/363298414.db2.gz YVXXUZFEWPHUOV-ATZCPNFKSA-N -1 3 287.385 1.056 10 0 CDAEHM CCc1ccc(N(CC)C(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000265440587 363317400 /nfs/dbraw/zinc/31/74/00/363317400.db2.gz KEZLRRLVEXUEOH-UHFFFAOYSA-N -1 3 289.335 1.154 10 0 CDAEHM O=C([O-])COCCNCc1ccc(C(F)(F)F)cc1 ZINC000311494116 363360893 /nfs/dbraw/zinc/36/08/93/363360893.db2.gz CUJUKCIJSJPIEY-UHFFFAOYSA-N -1 3 277.242 1.896 10 0 CDAEHM O=C(c1cc[nH]c1C1CCC1)N1CCc2nc[n-]c(=O)c2C1 ZINC000336357089 363432891 /nfs/dbraw/zinc/43/28/91/363432891.db2.gz HHIVMKNKLRPCOV-UHFFFAOYSA-N -1 3 298.346 1.976 10 0 CDAEHM O=C(Nc1cncc2c1CCCC2)c1cc(=O)[n-]cn1 ZINC000628039922 356407970 /nfs/dbraw/zinc/40/79/70/356407970.db2.gz JNVWDTYHIXUPGF-UHFFFAOYSA-N -1 3 270.292 1.708 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CCOC[C@@H]2C(F)(F)F)n1 ZINC000677725911 482762994 /nfs/dbraw/zinc/76/29/94/482762994.db2.gz WHCODIJVGUQCEO-SECBINFHSA-N -1 3 291.273 1.508 10 0 CDAEHM CO[C@@H]1CCC[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000456172145 363554688 /nfs/dbraw/zinc/55/46/88/363554688.db2.gz RRAPAAORQHTZAE-IUODEOHRSA-N -1 3 286.331 1.825 10 0 CDAEHM COC(=O)c1cc(C(=O)N=c2cc3n([nH]2)CCCC3)c[n-]1 ZINC000354442320 363564484 /nfs/dbraw/zinc/56/44/84/363564484.db2.gz WFBARMZZBGBOEM-UHFFFAOYSA-N -1 3 288.307 1.008 10 0 CDAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cccc2c1CCCC2 ZINC000042852655 357082331 /nfs/dbraw/zinc/08/23/31/357082331.db2.gz AXVUOEQXJFHRSO-LBPRGKRZSA-N -1 3 287.319 1.102 10 0 CDAEHM Cc1nc(CNC(=O)c2ccc(C)c(C)c2[O-])no1 ZINC000266444445 363579029 /nfs/dbraw/zinc/57/90/29/363579029.db2.gz MOUKXFPIZTZLLT-UHFFFAOYSA-N -1 3 261.281 1.630 10 0 CDAEHM O=S(=O)([N-][C@H]1CCCOC1)c1cncc(Cl)c1 ZINC000270033687 357387234 /nfs/dbraw/zinc/38/72/34/357387234.db2.gz YSWSAAGJPNKULH-VIFPVBQESA-N -1 3 276.745 1.192 10 0 CDAEHM O=C(CNC(=O)c1cccc([O-])c1)N[C@@H]1CC12CCCC2 ZINC000582039456 357450228 /nfs/dbraw/zinc/45/02/28/357450228.db2.gz HEHSVMJEXSLEFW-CYBMUJFWSA-N -1 3 288.347 1.571 10 0 CDAEHM CCNC(=O)[C@@H](NC(=O)c1cccc([O-])c1)C(C)C ZINC000294356213 199010208 /nfs/dbraw/zinc/01/02/08/199010208.db2.gz NPKLLODXQGMEPF-LBPRGKRZSA-N -1 3 264.325 1.283 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(C(=O)N(C)C)CC2)n1 ZINC000192525252 358212349 /nfs/dbraw/zinc/21/23/49/358212349.db2.gz COSBZVGKCUMSMT-NSHDSACASA-N -1 3 292.383 1.352 10 0 CDAEHM COc1nnc(NC(=O)c2cc(F)c(Cl)cc2F)[n-]1 ZINC000129408780 358282333 /nfs/dbraw/zinc/28/23/33/358282333.db2.gz PARFAISJVVUFHU-UHFFFAOYSA-N -1 3 288.641 1.997 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cc(F)c(Cl)cc2F)n1 ZINC000129408780 358282335 /nfs/dbraw/zinc/28/23/35/358282335.db2.gz PARFAISJVVUFHU-UHFFFAOYSA-N -1 3 288.641 1.997 10 0 CDAEHM COc1nc(NC(=O)c2cc(F)c(Cl)cc2F)n[n-]1 ZINC000129408780 358282338 /nfs/dbraw/zinc/28/23/38/358282338.db2.gz PARFAISJVVUFHU-UHFFFAOYSA-N -1 3 288.641 1.997 10 0 CDAEHM CN1C[C@@H]2CCN(Cc3nc(=O)c4sccc4[n-]3)[C@@H]2C1 ZINC000644728557 366431158 /nfs/dbraw/zinc/43/11/58/366431158.db2.gz ILPVSCWUYGLNOS-GXSJLCMTSA-N -1 3 290.392 1.533 10 0 CDAEHM O=C([N-][C@H](CO)c1cccc(Br)c1)C(F)F ZINC000194831876 358394596 /nfs/dbraw/zinc/39/45/96/358394596.db2.gz BWRNLCYQCPKHDF-MRVPVSSYSA-N -1 3 294.095 1.864 10 0 CDAEHM COc1ccc(NC(=O)c2cn(CC3CC3)nn2)c([O-])c1 ZINC000569544955 358577686 /nfs/dbraw/zinc/57/76/86/358577686.db2.gz PXYQPAKEHPQFFG-UHFFFAOYSA-N -1 3 288.307 1.655 10 0 CDAEHM Cc1ccc([O-])c(CN(CCS(C)(=O)=O)C(C)C)n1 ZINC000093707660 358628247 /nfs/dbraw/zinc/62/82/47/358628247.db2.gz KBPPICPGUXVGDJ-UHFFFAOYSA-N -1 3 286.397 1.351 10 0 CDAEHM C[C@@H](F)CCNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000356682811 366482921 /nfs/dbraw/zinc/48/29/21/366482921.db2.gz XTGFZYMMMWBCQZ-SSDOTTSWSA-N -1 3 264.256 1.048 10 0 CDAEHM COC(=O)[C@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000106099261 358994527 /nfs/dbraw/zinc/99/45/27/358994527.db2.gz NFLSHIYSWMYAGJ-GFCCVEGCSA-N -1 3 263.293 1.560 10 0 CDAEHM COCCCOC1CN(C(=O)c2ccc(OC)cc2[O-])C1 ZINC000436577630 363648594 /nfs/dbraw/zinc/64/85/94/363648594.db2.gz UKCMZVNBCOYKRN-UHFFFAOYSA-N -1 3 295.335 1.278 10 0 CDAEHM Cc1cccc(C(=O)N2C[C@@H](C)C(O)[C@H](C)C2)c1[O-] ZINC000618263677 359422616 /nfs/dbraw/zinc/42/26/16/359422616.db2.gz KNPQVFZOUPPJKY-GHMZBOCLSA-N -1 3 263.337 1.790 10 0 CDAEHM COC[C@H](C)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000113428466 359400610 /nfs/dbraw/zinc/40/06/10/359400610.db2.gz XCJFTYWELXCTTI-QMMMGPOBSA-N -1 3 278.287 1.832 10 0 CDAEHM O=C(N=c1cc2ccccn2[n-]1)NC[C@@H]1CCC[C@H]1O ZINC000560434469 359612055 /nfs/dbraw/zinc/61/20/55/359612055.db2.gz TUJZDSVLMQLJQG-CMPLNLGQSA-N -1 3 274.324 1.039 10 0 CDAEHM Cc1cccc2cc(S(=O)(=O)[N-][C@H](C)C(N)=O)sc21 ZINC000645448460 359665580 /nfs/dbraw/zinc/66/55/80/359665580.db2.gz WYVFONHWRKILAI-MRVPVSSYSA-N -1 3 298.389 1.362 10 0 CDAEHM CC(C)SCCNC(=O)NCc1ncccc1[O-] ZINC000347960296 359684031 /nfs/dbraw/zinc/68/40/31/359684031.db2.gz WSBYREDVFQLOPV-UHFFFAOYSA-N -1 3 269.370 1.728 10 0 CDAEHM C[C@H]1OCCC[C@H]1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000191157592 291199217 /nfs/dbraw/zinc/19/92/17/291199217.db2.gz TYWLMXIGSBKCOU-RKDXNWHRSA-N -1 3 276.296 1.818 10 0 CDAEHM C[C@H]1OCCC[C@H]1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000191157592 291199220 /nfs/dbraw/zinc/19/92/20/291199220.db2.gz TYWLMXIGSBKCOU-RKDXNWHRSA-N -1 3 276.296 1.818 10 0 CDAEHM C[C@H]1OCCC[C@H]1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000191157592 291199222 /nfs/dbraw/zinc/19/92/22/291199222.db2.gz TYWLMXIGSBKCOU-RKDXNWHRSA-N -1 3 276.296 1.818 10 0 CDAEHM O=C(Nc1[n-]nnc1C(=O)NC1CC1)c1cccs1 ZINC000297647233 200251849 /nfs/dbraw/zinc/25/18/49/200251849.db2.gz DUSAKJYBZKBTLN-UHFFFAOYSA-N -1 3 277.309 1.011 10 0 CDAEHM O=C(Nc1nn[n-]c1C(=O)NC1CC1)c1cccs1 ZINC000297647233 200251851 /nfs/dbraw/zinc/25/18/51/200251851.db2.gz DUSAKJYBZKBTLN-UHFFFAOYSA-N -1 3 277.309 1.011 10 0 CDAEHM O=C(Nc1n[n-]nc1C(=O)NC1CC1)c1cccs1 ZINC000297647233 200251853 /nfs/dbraw/zinc/25/18/53/200251853.db2.gz DUSAKJYBZKBTLN-UHFFFAOYSA-N -1 3 277.309 1.011 10 0 CDAEHM O=C(c1cc(=O)[n-]cn1)N(CCC1CC1)CC1CC1 ZINC000628150482 359845697 /nfs/dbraw/zinc/84/56/97/359845697.db2.gz TYSDRGYOVVWMIV-UHFFFAOYSA-N -1 3 261.325 1.835 10 0 CDAEHM O=S(=O)([N-]c1cccc2c1OCO2)N1CCCCCC1 ZINC000329492549 202358640 /nfs/dbraw/zinc/35/86/40/202358640.db2.gz ZQTPHHKSHCBHGD-UHFFFAOYSA-N -1 3 298.364 1.948 10 0 CDAEHM C[C@@H](c1noc(CN2CC(=O)[N-]C2=O)n1)C(C)(C)C ZINC000356877551 366606235 /nfs/dbraw/zinc/60/62/35/366606235.db2.gz HPOAQMKWNFXYRP-ZETCQYMHSA-N -1 3 266.301 1.271 10 0 CDAEHM CC[C@@H]1CCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000335344439 359984818 /nfs/dbraw/zinc/98/48/18/359984818.db2.gz JLZMPBDPRUMZQP-SECBINFHSA-N -1 3 273.292 1.586 10 0 CDAEHM C[C@H]1CCCN(Cc2cnn(CC(F)F)c2)[C@@H]1C(=O)[O-] ZINC000424406670 360041458 /nfs/dbraw/zinc/04/14/58/360041458.db2.gz ARPJHBCMIBLSLW-CABZTGNLSA-N -1 3 287.310 1.833 10 0 CDAEHM CO[N-]C(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000089692414 360186042 /nfs/dbraw/zinc/18/60/42/360186042.db2.gz LSHGESCCLRHPSI-GFCCVEGCSA-N -1 3 276.336 1.724 10 0 CDAEHM CC[C@H](C)C(=O)CSc1nnc2[n-]c(=O)c(C)nn21 ZINC000089688507 360186348 /nfs/dbraw/zinc/18/63/48/360186348.db2.gz BJAKFGXWLKMGHF-LURJTMIESA-N -1 3 281.341 1.241 10 0 CDAEHM O=S(=O)([N-]CC1Cc2ccccc2C1)c1cscn1 ZINC000335485336 360347509 /nfs/dbraw/zinc/34/75/09/360347509.db2.gz JTAFEBNWQIZJAV-UHFFFAOYSA-N -1 3 294.401 1.836 10 0 CDAEHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CC[C@H]1O ZINC000335549156 360405732 /nfs/dbraw/zinc/40/57/32/360405732.db2.gz GYGYVTOZVXZRGN-GHMZBOCLSA-N -1 3 299.323 1.682 10 0 CDAEHM CCC[C@H](C)NC(=O)[C@H](C)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000515059059 360428577 /nfs/dbraw/zinc/42/85/77/360428577.db2.gz FCDFOMVFLHPZDG-MROQNXINSA-N -1 3 284.400 1.722 10 0 CDAEHM CN(C)[C@@H]1CCCN(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000106363965 360566977 /nfs/dbraw/zinc/56/69/77/360566977.db2.gz IPMWTXPEWUONIZ-SNVBAGLBSA-N -1 3 284.306 1.837 10 0 CDAEHM Cn1ncc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1F ZINC000335612766 360550146 /nfs/dbraw/zinc/55/01/46/360550146.db2.gz KUVSZZXQEZDKAU-RKDXNWHRSA-N -1 3 295.767 1.633 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@@H]23)o1 ZINC000408412000 360860896 /nfs/dbraw/zinc/86/08/96/360860896.db2.gz MKUMVYHCSHNUBG-HBNTYKKESA-N -1 3 271.338 1.434 10 0 CDAEHM C[C@H](C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)n1cccn1 ZINC000353095372 361029580 /nfs/dbraw/zinc/02/95/80/361029580.db2.gz GPMHUKXCLDHGAE-SNVBAGLBSA-N -1 3 297.322 1.187 10 0 CDAEHM C[C@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)n1cccn1 ZINC000353095372 361029584 /nfs/dbraw/zinc/02/95/84/361029584.db2.gz GPMHUKXCLDHGAE-SNVBAGLBSA-N -1 3 297.322 1.187 10 0 CDAEHM NC(=O)c1csc(=NCCCc2nccs2)[n-]1 ZINC000432175780 361120810 /nfs/dbraw/zinc/12/08/10/361120810.db2.gz XTHXZBNPNIELSS-UHFFFAOYSA-N -1 3 268.367 1.165 10 0 CDAEHM COc1cc(C(=O)N2CC3(C2)CCCO3)cc(OC)c1[O-] ZINC000628789073 361104952 /nfs/dbraw/zinc/10/49/52/361104952.db2.gz RXBIAPIZLSGOFJ-UHFFFAOYSA-N -1 3 293.319 1.414 10 0 CDAEHM CCC1(CN=c2[n-]c(C(N)=O)cs2)CCOCC1 ZINC000432142520 361113654 /nfs/dbraw/zinc/11/36/54/361113654.db2.gz ZMVWRJIKNMGZNR-UHFFFAOYSA-N -1 3 269.370 1.283 10 0 CDAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2CCOC[C@@H]2C)c1 ZINC000432294790 361135257 /nfs/dbraw/zinc/13/52/57/361135257.db2.gz TXDPAFFEKGEWOW-WDEREUQCSA-N -1 3 287.385 1.167 10 0 CDAEHM NC(=O)c1csc(=NCCCc2cccc(F)c2)[n-]1 ZINC000432321224 361142366 /nfs/dbraw/zinc/14/23/66/361142366.db2.gz FJLRFTNUULCQTB-UHFFFAOYSA-N -1 3 279.340 1.848 10 0 CDAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]C[C@@]1(O)CCCC1(C)C ZINC000339024662 361221239 /nfs/dbraw/zinc/22/12/39/361221239.db2.gz XPQXDEVXMYUYPK-LOWVWBTDSA-N -1 3 291.413 1.024 10 0 CDAEHM Cc1ncc(C[N-]S(=O)(=O)CCOCC2CCC2)o1 ZINC000645753913 361295086 /nfs/dbraw/zinc/29/50/86/361295086.db2.gz DVJZUXUUUFLNAH-UHFFFAOYSA-N -1 3 288.369 1.219 10 0 CDAEHM CCc1noc(C)c1[N-]C(=O)c1ccc(OC)nn1 ZINC000339082252 361269918 /nfs/dbraw/zinc/26/99/18/361269918.db2.gz FIZLMVRAOFBYKP-UHFFFAOYSA-N -1 3 262.269 1.596 10 0 CDAEHM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000277998123 366720314 /nfs/dbraw/zinc/72/03/14/366720314.db2.gz VAXCGDQXQODERU-GZMMTYOYSA-N -1 3 290.772 1.438 10 0 CDAEHM Cc1cc(C)c(C[N-]C(=O)C(F)(F)C(F)F)c(=O)[nH]1 ZINC000267183966 363756300 /nfs/dbraw/zinc/75/63/00/363756300.db2.gz IMHKNLKKNXGRQE-UHFFFAOYSA-N -1 3 280.221 1.921 10 0 CDAEHM Cc1ncc(C[N-]S(=O)(=O)c2cscn2)s1 ZINC000645488853 361381018 /nfs/dbraw/zinc/38/10/18/361381018.db2.gz OGNKVALABGIDAR-UHFFFAOYSA-N -1 3 275.380 1.387 10 0 CDAEHM CNC(=O)[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000335509433 361420795 /nfs/dbraw/zinc/42/07/95/361420795.db2.gz IQGPQNAASZZHFN-MRVPVSSYSA-N -1 3 282.727 1.254 10 0 CDAEHM O=C([O-])c1ccccc1[C@H]1CCOCCN1CCO ZINC000616599627 361489471 /nfs/dbraw/zinc/48/94/71/361489471.db2.gz SRRWSDHDLFDUHP-CYBMUJFWSA-N -1 3 265.309 1.141 10 0 CDAEHM C[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000134252703 361546370 /nfs/dbraw/zinc/54/63/70/361546370.db2.gz PKGDOZPQADJLSQ-CBAPKCEASA-N -1 3 276.745 1.191 10 0 CDAEHM CCCCOc1ccc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)c([O-])c1 ZINC000436914653 361607562 /nfs/dbraw/zinc/60/75/62/361607562.db2.gz MBXVHSIFVXRKSC-NHAGDIPZSA-N -1 3 291.347 1.946 10 0 CDAEHM COc1cccc(C(=O)NC(C)(C)[C@H](C)O)c1[O-] ZINC000167078711 361608222 /nfs/dbraw/zinc/60/82/22/361608222.db2.gz YSSIZULUSHWTNK-QMMMGPOBSA-N -1 3 253.298 1.290 10 0 CDAEHM Cc1cc(C[C@H](C)NC(=O)N=c2cc[n-]n2C(C)C)[nH]n1 ZINC000134421274 361588805 /nfs/dbraw/zinc/58/88/05/361588805.db2.gz USHMHDBXDXLYEO-DLPJZNJTSA-N -1 3 290.371 1.670 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-]C[C@@H](C)CC(F)F)cn1 ZINC000645795747 361706964 /nfs/dbraw/zinc/70/69/64/361706964.db2.gz OVBKDLLTURNDPB-QMMMGPOBSA-N -1 3 281.328 1.473 10 0 CDAEHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@H]1CCCc2n[nH]cc21 ZINC000135324992 361719142 /nfs/dbraw/zinc/71/91/42/361719142.db2.gz ONEWBWJWFWMABE-QMMMGPOBSA-N -1 3 298.306 1.846 10 0 CDAEHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@H]1CCCc2n[nH]cc21 ZINC000135324992 361719146 /nfs/dbraw/zinc/71/91/46/361719146.db2.gz ONEWBWJWFWMABE-QMMMGPOBSA-N -1 3 298.306 1.846 10 0 CDAEHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1CCCc2n[nH]cc21 ZINC000135324992 361719150 /nfs/dbraw/zinc/71/91/50/361719150.db2.gz ONEWBWJWFWMABE-QMMMGPOBSA-N -1 3 298.306 1.846 10 0 CDAEHM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cn(C)cn2)o1 ZINC000360877207 363857609 /nfs/dbraw/zinc/85/76/09/363857609.db2.gz DUPFTUJDNQMWPO-SNVBAGLBSA-N -1 3 297.380 1.621 10 0 CDAEHM COC(=O)[C@H](NC(=O)c1cccc(OC)c1[O-])C1CC1 ZINC000267828656 363908544 /nfs/dbraw/zinc/90/85/44/363908544.db2.gz 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1.351 10 0 CDAEHM C[C@H](c1ccccc1)N(C)C(=O)CNCCC(=O)[O-] ZINC000035386105 172167715 /nfs/dbraw/zinc/16/77/15/172167715.db2.gz YRGVFMPWLSAYCL-LLVKDONJSA-N -1 3 264.325 1.270 10 0 CDAEHM CC(C)[C@H](N[C@H](C)C(=O)NC1CCCC1)C(=O)[O-] ZINC000035391065 172174314 /nfs/dbraw/zinc/17/43/14/172174314.db2.gz AKHOROOBCKLUTJ-KOLCDFICSA-N -1 3 256.346 1.133 10 0 CDAEHM CC[C@H](CO)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000035607379 172293478 /nfs/dbraw/zinc/29/34/78/172293478.db2.gz LXNOCWKSOKTFSU-SECBINFHSA-N -1 3 260.293 1.029 10 0 CDAEHM C[C@@H]1CCN(C(=O)[C@H]2NCCCC2(C)C)C[C@@H]1C(=O)[O-] ZINC000656854965 413740004 /nfs/dbraw/zinc/74/00/04/413740004.db2.gz CZWBSSFLCIBGRM-GRYCIOLGSA-N -1 3 282.384 1.334 10 0 CDAEHM CO[C@H]1CC[C@H](c2nc(-c3cc(=O)[n-]cn3)no2)C1 ZINC000664909804 413729005 /nfs/dbraw/zinc/72/90/05/413729005.db2.gz AFMRYKAXWZHQAI-YUMQZZPRSA-N -1 3 262.269 1.515 10 0 CDAEHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](CO)C2CCC2)c1 ZINC000657056965 413880195 /nfs/dbraw/zinc/88/01/95/413880195.db2.gz 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CCN1CCC[C@H](NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])C1 ZINC000040503043 174299969 /nfs/dbraw/zinc/29/99/69/174299969.db2.gz AHKIWYDDFYYJQO-XQQFMLRXSA-N -1 3 280.368 1.254 10 0 CDAEHM CN(C)CCNC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000040530524 174317020 /nfs/dbraw/zinc/31/70/20/174317020.db2.gz HBLOYIPRLXSEBG-ZDUSSCGKSA-N -1 3 293.367 1.453 10 0 CDAEHM CC[C@@H](C)N(CC(=O)[O-])C(=O)N(C)C1CCN(C)CC1 ZINC000040549565 174326899 /nfs/dbraw/zinc/32/68/99/174326899.db2.gz UZGDKMQBHISIBK-LLVKDONJSA-N -1 3 285.388 1.318 10 0 CDAEHM CCCC[C@@H](NC(=O)N[C@H]1CN2CCC1CC2)C(=O)[O-] ZINC000040551294 174328055 /nfs/dbraw/zinc/32/80/55/174328055.db2.gz VHMNNUNUHHAVHG-NEPJUHHUSA-N -1 3 283.372 1.023 10 0 CDAEHM C[C@@H](C(=O)N1CSC[C@@H]1C(=O)[O-])N1[C@@H](C)CC[C@@H]1C ZINC000043559548 175065975 /nfs/dbraw/zinc/06/59/75/175065975.db2.gz JJLJGAUQCHOMCV-XWLWVQCSSA-N -1 3 286.397 1.234 10 0 CDAEHM CN1CCC(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)CC1 ZINC000043587092 175072064 /nfs/dbraw/zinc/07/20/64/175072064.db2.gz QWRFQXJXFDVKMI-GFCCVEGCSA-N -1 3 297.399 1.367 10 0 CDAEHM COC[C@H](O)CN(C)Cc1sccc1/C=C/C(=O)[O-] ZINC000043685789 175094142 /nfs/dbraw/zinc/09/41/42/175094142.db2.gz MTNFVJDWTQTCBH-PGLGOXFNSA-N -1 3 285.365 1.285 10 0 CDAEHM CN(Cc1cccc(Br)c1)C[C@H](N)C(=O)[O-] ZINC000043700214 175097503 /nfs/dbraw/zinc/09/75/03/175097503.db2.gz SWFUIBSRGWKJMB-JTQLQIEISA-N -1 3 287.157 1.293 10 0 CDAEHM Nc1ccc(N[C@H]2CCN(C3CC3)C2)c(C(=O)[O-])c1 ZINC000044679675 175228211 /nfs/dbraw/zinc/22/82/11/175228211.db2.gz ZUZXXOWVMPCIQV-JTQLQIEISA-N -1 3 261.325 1.616 10 0 CDAEHM Nc1ccc(N[C@@H]2CCN(C3CC3)C2)c(C(=O)[O-])c1 ZINC000044679674 175228504 /nfs/dbraw/zinc/22/85/04/175228504.db2.gz ZUZXXOWVMPCIQV-SNVBAGLBSA-N -1 3 261.325 1.616 10 0 CDAEHM O=S(=O)([N-]CC(F)(F)F)c1ccc2c(c1)NCCC2 ZINC000071103040 176033521 /nfs/dbraw/zinc/03/35/21/176033521.db2.gz LNAPWUHABGCSOV-UHFFFAOYSA-N -1 3 294.298 1.885 10 0 CDAEHM CNC(C)(C)C(=O)Nc1cccc(C)c1C(=O)[O-] ZINC000071171389 176051303 /nfs/dbraw/zinc/05/13/03/176051303.db2.gz HJJLIKDBCQIUMF-UHFFFAOYSA-N -1 3 250.298 1.630 10 0 CDAEHM Cc1ccncc1[N-]S(=O)(=O)c1cccc(CN)c1 ZINC000071414075 176159262 /nfs/dbraw/zinc/15/92/62/176159262.db2.gz JQQWZCRKYRHNEV-UHFFFAOYSA-N -1 3 277.349 1.650 10 0 CDAEHM O=S(=O)([N-][C@@H](CO)C1CCCCC1)c1cscn1 ZINC000517133929 260018481 /nfs/dbraw/zinc/01/84/81/260018481.db2.gz IXNVRUOCKLKBIA-JTQLQIEISA-N -1 3 290.410 1.363 10 0 CDAEHM CO[C@](C)(CO)CNC(=O)c1cc([O-])ccc1Cl ZINC000655218547 423885330 /nfs/dbraw/zinc/88/53/30/423885330.db2.gz FIRDAHZVISYTHP-LBPRGKRZSA-N -1 3 273.716 1.173 10 0 CDAEHM COc1cncc(C=CCCN(C)Cc2n[n-]c(=O)o2)c1 ZINC000660844712 424330787 /nfs/dbraw/zinc/33/07/87/424330787.db2.gz UABSQBJQGBUPKH-HYXAFXHYSA-N -1 3 290.323 1.714 10 0 CDAEHM CCS(=O)(=O)[N-][C@@H](Cc1ccccc1)c1ncco1 ZINC000655677089 424362656 /nfs/dbraw/zinc/36/26/56/424362656.db2.gz HGQIYBSKMSTBPE-LBPRGKRZSA-N -1 3 280.349 1.898 10 0 CDAEHM CC[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000651976284 424548261 /nfs/dbraw/zinc/54/82/61/424548261.db2.gz DFCHGSPABNGGPB-WOPDTQHZSA-N -1 3 291.399 1.717 10 0 CDAEHM C[C@H]1COCC[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000192791002 270299841 /nfs/dbraw/zinc/29/98/41/270299841.db2.gz UQHAORMXBNJLLH-GXSJLCMTSA-N -1 3 267.300 1.820 10 0 CDAEHM COc1cccc(C(=O)NC[C@]2(C)CCOC2)c1[O-] ZINC000397127560 270346155 /nfs/dbraw/zinc/34/61/55/270346155.db2.gz RQKIFEBBCWFZIA-AWEZNQCLSA-N -1 3 265.309 1.557 10 0 CDAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc2cc[nH]c2n1 ZINC000526959080 270650780 /nfs/dbraw/zinc/65/07/80/270650780.db2.gz GTYGZBDZGRJYQS-LBPRGKRZSA-N -1 3 297.318 1.812 10 0 CDAEHM CCc1cc(C(=O)NC[C@@H](O)[C@@H]2CCCO2)ccc1[O-] ZINC000529764687 271030524 /nfs/dbraw/zinc/03/05/24/271030524.db2.gz BFOZAZUPRCMBKB-KGLIPLIRSA-N -1 3 279.336 1.224 10 0 CDAEHM CC1(C)OC[C@H]2C[C@]21NC(=O)c1ccc2n[n-]nc2c1 ZINC000529781206 271039348 /nfs/dbraw/zinc/03/93/48/271039348.db2.gz IEGLMCVMZROLKX-OTYXRUKQSA-N -1 3 272.308 1.255 10 0 CDAEHM Cc1cccc(C(=O)N[C@@]23C[C@@H]2COC3(C)C)c1[O-] ZINC000529787131 271040723 /nfs/dbraw/zinc/04/07/23/271040723.db2.gz UKBZGINONVYZPG-BMIGLBTASA-N -1 3 261.321 1.998 10 0 CDAEHM O=C(c1csc(=O)[n-]1)N1CC(Cc2ccco2)C1 ZINC000529863081 271056179 /nfs/dbraw/zinc/05/61/79/271056179.db2.gz XTAXQGDUEHAXIU-UHFFFAOYSA-N -1 3 264.306 1.756 10 0 CDAEHM CCC[C@@]1(COC)CCCN1Cc1cnc(C(=O)[O-])cn1 ZINC000530164519 271121505 /nfs/dbraw/zinc/12/15/05/271121505.db2.gz YQNMFBLCUPRTAP-HNNXBMFYSA-N -1 3 293.367 1.956 10 0 CDAEHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000295424000 278415096 /nfs/dbraw/zinc/41/50/96/278415096.db2.gz XDUBJPDLEYLQDB-JTQLQIEISA-N -1 3 290.772 1.581 10 0 CDAEHM Cn1c2cc([O-])c(NC(=O)C3=CCCC3)cc2n(C)c1=O ZINC000336101857 279316860 /nfs/dbraw/zinc/31/68/60/279316860.db2.gz KZUWRPPMHPDZSP-UHFFFAOYSA-N -1 3 287.319 1.631 10 0 CDAEHM COc1cccc(CNC(=O)c2cccc(OC)c2[O-])n1 ZINC000128975524 279584814 /nfs/dbraw/zinc/58/48/14/279584814.db2.gz FHCSIFYAHOTYKI-UHFFFAOYSA-N -1 3 288.303 1.734 10 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BZTDLYFUPNXZBV-WSNITJDQSA-N -1 3 287.363 1.497 10 0 CDAEHM O=C(Nc1ncccc1[O-])c1cc(-n2ccnc2)ccn1 ZINC000540887959 289463937 /nfs/dbraw/zinc/46/39/37/289463937.db2.gz WGLOERQRIABNBO-UHFFFAOYSA-N -1 3 281.275 1.620 10 0 CDAEHM Cc1cc(CS(=O)(=O)[N-]C[C@@H]2CCC(C)(C)O2)on1 ZINC000547641951 289792185 /nfs/dbraw/zinc/79/21/85/289792185.db2.gz FMQJZKFWMZELCF-JTQLQIEISA-N -1 3 288.369 1.360 10 0 CDAEHM COc1cc(=NC(=O)NCCCc2cccs2)[n-]n1C ZINC000547838290 289815092 /nfs/dbraw/zinc/81/50/92/289815092.db2.gz KWAFBTSCRAPNHG-UHFFFAOYSA-N -1 3 294.380 1.666 10 0 CDAEHM COc1cc(=NC(=O)c2ccc(Cl)cc2F)[n-]n1C ZINC000548145186 289849907 /nfs/dbraw/zinc/84/99/07/289849907.db2.gz ONIUXEAIEYWZHP-UHFFFAOYSA-N -1 3 283.690 1.895 10 0 CDAEHM CCS[C@H]1CCC[C@H]1NC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000548165629 289852632 /nfs/dbraw/zinc/85/26/32/289852632.db2.gz JTHDFEBIYIADEQ-ZJUUUORDSA-N -1 3 298.412 1.646 10 0 CDAEHM O=C(c1cccc2[n-]nnc21)N1CCC[C@@]2(CCOC2)C1 ZINC000556686563 290281167 /nfs/dbraw/zinc/28/11/67/290281167.db2.gz GAEYXUSQOALEHJ-OAHLLOKOSA-N -1 3 286.335 1.601 10 0 CDAEHM O=C(c1cccc2nn[n-]c21)N1CCC[C@@]2(CCOC2)C1 ZINC000556686563 290281169 /nfs/dbraw/zinc/28/11/69/290281169.db2.gz GAEYXUSQOALEHJ-OAHLLOKOSA-N -1 3 286.335 1.601 10 0 CDAEHM O=C(c1cccc2n[n-]nc21)N1CCC[C@@]2(CCOC2)C1 ZINC000556686563 290281171 /nfs/dbraw/zinc/28/11/71/290281171.db2.gz GAEYXUSQOALEHJ-OAHLLOKOSA-N -1 3 286.335 1.601 10 0 CDAEHM CC1(C)CC(=O)c2cc(NC(=O)c3nc[n-]n3)ccc2O1 ZINC000557407419 290343780 /nfs/dbraw/zinc/34/37/80/290343780.db2.gz HETSYVLENCQPQZ-UHFFFAOYSA-N -1 3 286.291 1.801 10 0 CDAEHM COc1cc(=NC(=O)NC[C@H]2CCCSC2)[n-]n1C ZINC000562266744 293122700 /nfs/dbraw/zinc/12/27/00/293122700.db2.gz LPHAKSPJADOCSB-SECBINFHSA-N -1 3 284.385 1.115 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2CCN(c3ccccc3)C2)n[n-]1 ZINC000562694423 293176552 /nfs/dbraw/zinc/17/65/52/293176552.db2.gz RKYXDNYIMTUFSL-SNVBAGLBSA-N -1 3 287.323 1.278 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2CCN(c3ccccc3)C2)[n-]1 ZINC000562694423 293176554 /nfs/dbraw/zinc/17/65/54/293176554.db2.gz RKYXDNYIMTUFSL-SNVBAGLBSA-N -1 3 287.323 1.278 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2CCN(c3ccccc3)C2)n1 ZINC000562694423 293176558 /nfs/dbraw/zinc/17/65/58/293176558.db2.gz RKYXDNYIMTUFSL-SNVBAGLBSA-N -1 3 287.323 1.278 10 0 CDAEHM Cn1cc([N-]S(=O)(=O)N2CCC2)c(C2CCCCC2)n1 ZINC000562707901 293180380 /nfs/dbraw/zinc/18/03/80/293180380.db2.gz NNVGFGNBRSJCDX-UHFFFAOYSA-N -1 3 298.412 1.830 10 0 CDAEHM COCC1CCC([N-]S(=O)(=O)c2cscn2)CC1 ZINC000563054727 293258832 /nfs/dbraw/zinc/25/88/32/293258832.db2.gz DUPNSRFDTRYLHB-UHFFFAOYSA-N -1 3 290.410 1.627 10 0 CDAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)C2=CCCCC2)nc1=N ZINC000570637892 294278074 /nfs/dbraw/zinc/27/80/74/294278074.db2.gz BMIROCFLKSBDIX-NSHDSACASA-N -1 3 275.356 1.392 10 0 CDAEHM COc1cccc(CNC(=O)CN(C)CCCC(=O)[O-])c1 ZINC000042717926 295298421 /nfs/dbraw/zinc/29/84/21/295298421.db2.gz ZRADQUSPNHXXOU-UHFFFAOYSA-N -1 3 294.351 1.108 10 0 CDAEHM NC1(C(=O)Nc2ncccc2[O-])Cc2ccccc2C1 ZINC000187607832 303356874 /nfs/dbraw/zinc/35/68/74/303356874.db2.gz YIQFLNPIAMFESM-UHFFFAOYSA-N -1 3 269.304 1.222 10 0 CDAEHM C[C@]1(F)CCCN(C(=O)Cc2cncc([O-])c2)C1 ZINC000563413296 316301415 /nfs/dbraw/zinc/30/14/15/316301415.db2.gz XJKGAVZXALRWNJ-ZDUSSCGKSA-N -1 3 252.289 1.680 10 0 CDAEHM O=S(=O)([N-]CCCN1CCCCC1)c1cscn1 ZINC000569964651 316884602 /nfs/dbraw/zinc/88/46/02/316884602.db2.gz NILXGQTUVWSNEZ-UHFFFAOYSA-N -1 3 289.426 1.297 10 0 CDAEHM COc1ccc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)cn1 ZINC000577279344 317300057 /nfs/dbraw/zinc/30/00/57/317300057.db2.gz LUESTZSQTXBBJC-LLVKDONJSA-N -1 3 286.353 1.257 10 0 CDAEHM CO[C@H]1CCCC[C@H]1c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351376187 323590068 /nfs/dbraw/zinc/59/00/68/323590068.db2.gz SQJMNEPXLDQFQK-SCZZXKLOSA-N -1 3 276.296 1.905 10 0 CDAEHM CCC[C@H](C)[C@@H](CO)NC(=O)c1csc(=NCC)[n-]1 ZINC000578759290 324016607 /nfs/dbraw/zinc/01/66/07/324016607.db2.gz CSXNTYOVGLHCBK-VHSXEESVSA-N -1 3 285.413 1.524 10 0 CDAEHM Cc1ccc(CC[N-]S(=O)(=O)c2cscn2)cn1 ZINC000579468893 324193816 /nfs/dbraw/zinc/19/38/16/324193816.db2.gz OQIPFWFIUFNOCS-UHFFFAOYSA-N -1 3 283.378 1.368 10 0 CDAEHM COc1cc(=NC(=O)N[C@H](C)C(C)(C)C)[n-]n1C ZINC000582610613 325009517 /nfs/dbraw/zinc/00/95/17/325009517.db2.gz YWRLMZFZHFKEAU-MRVPVSSYSA-N -1 3 254.334 1.407 10 0 CDAEHM O=C(NCc1ncccc1[O-])c1cc(C2CC2)no1 ZINC000582764153 325037972 /nfs/dbraw/zinc/03/79/72/325037972.db2.gz BDACAVRYTWOOSI-UHFFFAOYSA-N -1 3 259.265 1.583 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(C)c3c2CCC3)[n-]1 ZINC000583303533 325146753 /nfs/dbraw/zinc/14/67/53/325146753.db2.gz UABQRWWBJFRKAG-UHFFFAOYSA-N -1 3 272.308 1.863 10 0 CDAEHM COc1nc(NC(=O)c2ccc(C)c3c2CCC3)n[n-]1 ZINC000583303533 325146757 /nfs/dbraw/zinc/14/67/57/325146757.db2.gz UABQRWWBJFRKAG-UHFFFAOYSA-N -1 3 272.308 1.863 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(C)c3c2CCC3)n1 ZINC000583303533 325146762 /nfs/dbraw/zinc/14/67/62/325146762.db2.gz UABQRWWBJFRKAG-UHFFFAOYSA-N -1 3 272.308 1.863 10 0 CDAEHM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000583326322 325152945 /nfs/dbraw/zinc/15/29/45/325152945.db2.gz UVGGEZYRPNAYQG-IUODEOHRSA-N -1 3 294.326 1.191 10 0 CDAEHM C[C@@H]1CCN(C(=O)c2cc(F)cc3[n-]nnc32)C[C@@H]1F ZINC000669715138 482266579 /nfs/dbraw/zinc/26/65/79/482266579.db2.gz LXNHPZIOYVUTEE-XCBNKYQSSA-N -1 3 280.278 1.917 10 0 CDAEHM C[C@@H]1CCN(C(=O)c2cc(F)cc3nn[n-]c32)C[C@@H]1F ZINC000669715138 482266585 /nfs/dbraw/zinc/26/65/85/482266585.db2.gz LXNHPZIOYVUTEE-XCBNKYQSSA-N -1 3 280.278 1.917 10 0 CDAEHM C[C@@H]1CCN(C(=O)c2cc(F)cc3n[n-]nc32)C[C@@H]1F ZINC000669715138 482266588 /nfs/dbraw/zinc/26/65/88/482266588.db2.gz LXNHPZIOYVUTEE-XCBNKYQSSA-N -1 3 280.278 1.917 10 0 CDAEHM O=c1cc(CN2CCC[C@](O)(C3CC3)C2)nc(C2CC2)[n-]1 ZINC000661630716 482437954 /nfs/dbraw/zinc/43/79/54/482437954.db2.gz HXFVQOHSFWHYGT-MRXNPFEDSA-N -1 3 289.379 1.797 10 0 CDAEHM CCc1cc([N-]C(=O)c2cn(CC3(C)COC3)nn2)no1 ZINC000680581413 482512692 /nfs/dbraw/zinc/51/26/92/482512692.db2.gz OWRJZIPUTVMVRE-UHFFFAOYSA-N -1 3 291.311 1.117 10 0 CDAEHM Cc1ccccc1[C@H](C)N[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662213006 482619037 /nfs/dbraw/zinc/61/90/37/482619037.db2.gz ZJPTWDJGECPMSG-WCQYABFASA-N -1 3 276.336 1.331 10 0 CDAEHM C[C@H](OCC(=O)[N-]c1nncn1C1CC1)c1nccn1C ZINC000673159610 482699190 /nfs/dbraw/zinc/69/91/90/482699190.db2.gz UXPZDWPMTODGQW-VIFPVBQESA-N -1 3 290.327 1.063 10 0 CDAEHM Cc1ccc(C(=O)N2CC[C@H](N3CCC3)[C@H](F)C2)c([O-])c1 ZINC000684842783 482994515 /nfs/dbraw/zinc/99/45/15/482994515.db2.gz BZTOFPXNJRVKGN-KGLIPLIRSA-N -1 3 292.354 1.959 10 0 CDAEHM Cc1cc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])no1 ZINC000229212673 483147740 /nfs/dbraw/zinc/14/77/40/483147740.db2.gz GAWCOVWYOJCDLU-ZMLRMANQSA-N -1 3 250.298 1.668 10 0 CDAEHM CO[C@@H](C)c1nsc([N-]c2cnn(CCN(C)C)c2)n1 ZINC000669822855 483167256 /nfs/dbraw/zinc/16/72/56/483167256.db2.gz GNLLHDHMRKEYFL-VIFPVBQESA-N -1 3 296.400 1.747 10 0 CDAEHM CC(C)C[C@H](CN(C)C)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000163959881 483238571 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521193283 /nfs/dbraw/zinc/19/32/83/521193283.db2.gz RZHVIQPTTTVITP-NEPJUHHUSA-N -1 3 285.388 1.175 10 0 CDAEHM CCCN(CCN(C)C)c1cc(N)ccc1C(=O)[O-] ZINC000069514686 521658401 /nfs/dbraw/zinc/65/84/01/521658401.db2.gz WNTKQMUWWBLRLI-UHFFFAOYSA-N -1 3 265.357 1.745 10 0 CDAEHM CC(C)N(CCCC(=O)[O-])C(=O)N[C@@H](C)CN1CCCC1 ZINC000049187432 519642592 /nfs/dbraw/zinc/64/25/92/519642592.db2.gz NNKNOWUOBXXNDY-ZDUSSCGKSA-N -1 3 299.415 1.756 10 0 CDAEHM CC(C)CN(CC(=O)[O-])C(=O)NC[C@@H]1CCCCN1C ZINC000062744458 519710901 /nfs/dbraw/zinc/71/09/01/519710901.db2.gz UOYWGTFDZZGIFQ-LBPRGKRZSA-N -1 3 285.388 1.223 10 0 CDAEHM CC(C)OCCN1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000366710450 519765626 /nfs/dbraw/zinc/76/56/26/519765626.db2.gz DZUDHYKUDBGGGH-UHFFFAOYSA-N -1 3 254.334 1.115 10 0 CDAEHM CCC1CCC(N2CCN(CC(=O)[O-])CC2)CC1 ZINC000068607174 519853673 /nfs/dbraw/zinc/85/36/73/519853673.db2.gz MPDNIPBUIRTWPJ-UHFFFAOYSA-N -1 3 254.374 1.657 10 0 CDAEHM CCNC(C)(C)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000061297672 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/nfs/dbraw/zinc/49/06/06/829490606.db2.gz QMKLMOXHGOBIHD-UHFFFAOYSA-N -1 3 258.705 1.280 10 0 CDAEHM Cc1ccc(C=CS(=O)(=O)[N-]N=c2nccc[nH]2)cc1 ZINC000048653809 829813329 /nfs/dbraw/zinc/81/33/29/829813329.db2.gz KOOPMZWKOCHHJF-YFHOEESVSA-N -1 3 290.348 1.702 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@H](C(F)F)C2)n1 ZINC000801566971 829830958 /nfs/dbraw/zinc/83/09/58/829830958.db2.gz QAQBYPOWGFOVHL-BDAKNGLRSA-N -1 3 273.283 1.518 10 0 CDAEHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cc[nH]n1 ZINC000782790436 829849600 /nfs/dbraw/zinc/84/96/00/829849600.db2.gz BWFUOOHWUVUIKA-UHFFFAOYSA-N -1 3 286.247 1.522 10 0 CDAEHM CC(C)OC1(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)CCC1 ZINC000880513175 833568592 /nfs/dbraw/zinc/56/85/92/833568592.db2.gz ZAXFMKSSPPLJPT-UHFFFAOYSA-N -1 3 297.380 1.435 10 0 CDAEHM CC(=Cc1ccncc1)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000847710106 829953356 /nfs/dbraw/zinc/95/33/56/829953356.db2.gz LNHNTCUUZZSFAL-DHZHZOJOSA-N -1 3 296.330 1.565 10 0 CDAEHM C[C@@H]1C(=O)N(C)CN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000844104236 833582591 /nfs/dbraw/zinc/58/25/91/833582591.db2.gz VISNSQMRPNGSNE-SNVBAGLBSA-N -1 3 284.315 1.806 10 0 CDAEHM CC(C)[C@@H](CO)O[N-]C(=O)C[C@H]1CCC(F)(F)C1 ZINC000836894718 830079725 /nfs/dbraw/zinc/07/97/25/830079725.db2.gz QBNCGYKRLYABFA-NXEZZACHSA-N -1 3 265.300 1.877 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N(C)[C@@H]2CCOC[C@@H]2OC)c1 ZINC000921928858 830200887 /nfs/dbraw/zinc/20/08/87/830200887.db2.gz PFGWREAOYMULLE-HIFRSBDPSA-N -1 3 293.363 1.831 10 0 CDAEHM CC(=O)c1cc(F)c([O-])c(NC(=O)[C@@H]2CCN(C)C2)c1 ZINC000830324574 830217026 /nfs/dbraw/zinc/21/70/26/830217026.db2.gz VQLXKWXHDXRHKG-SECBINFHSA-N -1 3 280.299 1.624 10 0 CDAEHM COc1cccc([O-])c1C(=O)NC[C@H]1CC(C)(C)CO1 ZINC000717525902 830266286 /nfs/dbraw/zinc/26/62/86/830266286.db2.gz SVOMVHAKJMNYER-SNVBAGLBSA-N -1 3 279.336 1.946 10 0 CDAEHM CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)[N-]OCC(C)(C)O ZINC000822493766 830302986 /nfs/dbraw/zinc/30/29/86/830302986.db2.gz AAXBFIXFZXXQIM-NXEZZACHSA-N -1 3 287.356 1.173 10 0 CDAEHM CCOC(=O)[C@H](CSC)[N-]S(=O)(=O)CC(C)(C)C ZINC000921378771 830324909 /nfs/dbraw/zinc/32/49/09/830324909.db2.gz IOMIETLLRDANFC-VIFPVBQESA-N -1 3 297.442 1.247 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCC2=C(CCC(=O)N2)C1 ZINC000855153483 830336823 /nfs/dbraw/zinc/33/68/23/830336823.db2.gz ZNKMBRHLCLLORF-UHFFFAOYSA-N -1 3 288.303 1.108 10 0 CDAEHM C[C@H]1CC[C@H](OC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000815206822 830360816 /nfs/dbraw/zinc/36/08/16/830360816.db2.gz QQVBNPFYLVGBOA-WPRPVWTQSA-N -1 3 273.288 1.916 10 0 CDAEHM O=C(NCc1ncccc1[O-])[C@@H]1CSCCS1 ZINC000792619582 830518636 /nfs/dbraw/zinc/51/86/36/830518636.db2.gz LLIUHDLMZHYYOD-JTQLQIEISA-N -1 3 270.379 1.252 10 0 CDAEHM CN1CCCc2cc(NC(=O)c3cnn[n-]3)ccc21 ZINC000109313789 830527503 /nfs/dbraw/zinc/52/75/03/830527503.db2.gz ATMFFZVWHWITIY-UHFFFAOYSA-N -1 3 257.297 1.439 10 0 CDAEHM CN1CCCc2cc(NC(=O)c3c[n-]nn3)ccc21 ZINC000109313789 830527513 /nfs/dbraw/zinc/52/75/13/830527513.db2.gz ATMFFZVWHWITIY-UHFFFAOYSA-N -1 3 257.297 1.439 10 0 CDAEHM CN1CCCc2cc(NC(=O)c3cn[n-]n3)ccc21 ZINC000109313789 830527525 /nfs/dbraw/zinc/52/75/25/830527525.db2.gz ATMFFZVWHWITIY-UHFFFAOYSA-N -1 3 257.297 1.439 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CC(C)(C)C)nn1 ZINC000867376157 830541549 /nfs/dbraw/zinc/54/15/49/830541549.db2.gz QOVNYOURFPQEKZ-JTQLQIEISA-N -1 3 271.386 1.888 10 0 CDAEHM O=C(OCc1noc(-c2ccccc2[O-])n1)C1CC(=O)C1 ZINC000784447164 830592469 /nfs/dbraw/zinc/59/24/69/830592469.db2.gz JEBZXFCUPCOUCK-UHFFFAOYSA-N -1 3 288.259 1.465 10 0 CDAEHM O=c1[nH][n-]cc1CCCNc1nc2c(cccc2F)o1 ZINC000865941314 830592682 /nfs/dbraw/zinc/59/26/82/830592682.db2.gz CISPRPPRNJZKPI-QMMMGPOBSA-N -1 3 276.271 1.891 10 0 CDAEHM COc1cccc(S([O-])=CC(=O)OCC2(F)CC2)c1 ZINC000820895455 832235193 /nfs/dbraw/zinc/23/51/93/832235193.db2.gz LEOCCZSWUCHLLW-IBGZPJMESA-N -1 3 286.324 1.848 10 0 CDAEHM Cn1c(Cl)ncc1CNCc1ncccc1[O-] ZINC000848550608 833802287 /nfs/dbraw/zinc/80/22/87/833802287.db2.gz RRKCKKLQNLACCR-UHFFFAOYSA-N -1 3 252.705 1.464 10 0 CDAEHM CCO[C@H]1COCC[C@@H]1CC(=O)Nc1ncccc1[O-] ZINC000867341117 832272213 /nfs/dbraw/zinc/27/22/13/832272213.db2.gz GAZJJDDAIKIACM-PWSUYJOCSA-N -1 3 280.324 1.557 10 0 CDAEHM C[C@@H]1CC[C@@H](OC(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000815204785 833833758 /nfs/dbraw/zinc/83/37/58/833833758.db2.gz ABSDPFKMTYZRMJ-ZWNOBZJWSA-N -1 3 277.320 1.854 10 0 CDAEHM COC(C)(C)[C@@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC000928597591 832338351 /nfs/dbraw/zinc/33/83/51/832338351.db2.gz OBVSREAQSFNQFZ-SECBINFHSA-N -1 3 289.335 1.879 10 0 CDAEHM O=C(NC1CCC2(COC2)CC1)c1cccc2n[n-]nc21 ZINC000922551842 832381225 /nfs/dbraw/zinc/38/12/25/832381225.db2.gz YNTCHYYYRXGHNR-UHFFFAOYSA-N -1 3 286.335 1.647 10 0 CDAEHM O=S(=O)([N-][C@@H]1C[C@@H](O)c2ccccc21)c1cscn1 ZINC000849453189 833867774 /nfs/dbraw/zinc/86/77/74/833867774.db2.gz ZKYRBIWMDWBIFV-GHMZBOCLSA-N -1 3 296.373 1.600 10 0 CDAEHM COCCC1([N-]S(=O)(=O)c2ccc(C)o2)CCC1 ZINC000360379243 833873293 /nfs/dbraw/zinc/87/32/93/833873293.db2.gz SFQGCSYPMMAZBT-UHFFFAOYSA-N -1 3 273.354 1.826 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CC23CCC(CC2)C3)nn1 ZINC000867017841 833860278 /nfs/dbraw/zinc/86/02/78/833860278.db2.gz RFNVHIVIGBPCPD-UHFFFAOYSA-N -1 3 281.381 1.644 10 0 CDAEHM CSc1nc(NC(=O)C[C@@H]2CC[C@H](C3CC3)O2)n[n-]1 ZINC000931203470 833949917 /nfs/dbraw/zinc/94/99/17/833949917.db2.gz QREGSWQFEWQZEO-DTWKUNHWSA-N -1 3 282.369 1.813 10 0 CDAEHM C[C@@]1(CNC=C2C(=O)[N-]C(=O)c3ccccc32)CC1(F)F ZINC000849174981 834068926 /nfs/dbraw/zinc/06/89/26/834068926.db2.gz MJWJRXVEJZGVPH-KGBIHWOQSA-N -1 3 292.285 1.932 10 0 CDAEHM O=C([N-]C[C@@H](O)C(F)(F)F)C(F)(F)C1CCOCC1 ZINC000790731409 834250992 /nfs/dbraw/zinc/25/09/92/834250992.db2.gz DNOIAMQQEDTTNT-SSDOTTSWSA-N -1 3 291.216 1.088 10 0 CDAEHM O=C(CN1CC[C@H]2COC[C@@H]2C1)[N-]OCc1ccccc1 ZINC000852667199 834262439 /nfs/dbraw/zinc/26/24/39/834262439.db2.gz XWYGJMHHZOPCCD-GJZGRUSLSA-N -1 3 290.363 1.203 10 0 CDAEHM CC(C)(C)NC(=O)COC(=O)c1cc2occc2[n-]1 ZINC000786030391 834343471 /nfs/dbraw/zinc/34/34/71/834343471.db2.gz DQHBMEYQEJFGRB-UHFFFAOYSA-N -1 3 264.281 1.832 10 0 CDAEHM CCC[C@H](C)[C@H](CO)[N-]C(=O)C(F)(F)C(F)F ZINC000846367268 834509065 /nfs/dbraw/zinc/50/90/65/834509065.db2.gz MDBMEGVFZDUULL-BQBZGAKWSA-N -1 3 259.243 1.800 10 0 CDAEHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000390489138 834827975 /nfs/dbraw/zinc/82/79/75/834827975.db2.gz OTRBYKZVLRYBFK-SVGQVSJJSA-N -1 3 264.709 1.561 10 0 CDAEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1C[C@H]1C ZINC000063246449 834849978 /nfs/dbraw/zinc/84/99/78/834849978.db2.gz GLPNVXOUWLFJTP-SKDRFNHKSA-N -1 3 288.347 1.995 10 0 CDAEHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1coc(CO)c1 ZINC000845392947 834954045 /nfs/dbraw/zinc/95/40/45/834954045.db2.gz UVTZMFCLSIABGE-UHFFFAOYSA-N -1 3 290.275 1.502 10 0 CDAEHM O=S(=O)(N=S1(=O)CCCC1)[N-][C@H]1CCCC12CC2 ZINC000867580150 835326802 /nfs/dbraw/zinc/32/68/02/835326802.db2.gz UTYGOCSIJKRUMA-JTQLQIEISA-N -1 3 292.426 1.415 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCO[C@]3(CCSC3)C2)n1 ZINC000829260264 835356187 /nfs/dbraw/zinc/35/61/87/835356187.db2.gz APIGWBDULUIRNH-CYBMUJFWSA-N -1 3 281.381 1.199 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCC(C)(C)C)nn1 ZINC000866483009 835461783 /nfs/dbraw/zinc/46/17/83/835461783.db2.gz AXTKRNZUSJKCGM-UHFFFAOYSA-N -1 3 257.359 1.500 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCC1(C)C ZINC000867267887 835596511 /nfs/dbraw/zinc/59/65/11/835596511.db2.gz FHKGLODGUFIVTM-GLEZIHRCSA-N -1 3 268.404 1.127 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-][C@]2(C)CCO[C@@H]2C)o1 ZINC000335993341 835600008 /nfs/dbraw/zinc/60/00/08/835600008.db2.gz DUHLUNHNZKJMSD-MWLCHTKSSA-N -1 3 259.327 1.434 10 0 CDAEHM COCCO[N-]C(=O)CC1CCC(F)(F)CC1 ZINC000859888404 835647972 /nfs/dbraw/zinc/64/79/72/835647972.db2.gz RPNFYRDGEBBGQP-UHFFFAOYSA-N -1 3 251.273 1.896 10 0 CDAEHM COc1nnc(NC(=O)C=CC=C(Cl)Cl)[n-]1 ZINC001566428168 1168270615 /nfs/dbraw/zinc/27/06/15/1168270615.db2.gz QBBFKFFDEJQCOJ-RQOWECAXSA-N -1 3 263.084 1.627 10 0 CDAEHM COc1nc(NC(=O)C=CC=C(Cl)Cl)n[n-]1 ZINC001566428168 1168270623 /nfs/dbraw/zinc/27/06/23/1168270623.db2.gz QBBFKFFDEJQCOJ-RQOWECAXSA-N -1 3 263.084 1.627 10 0 CDAEHM COc1n[n-]c(NC(=O)C=CC=C(Cl)Cl)n1 ZINC001566428168 1168270630 /nfs/dbraw/zinc/27/06/30/1168270630.db2.gz QBBFKFFDEJQCOJ-RQOWECAXSA-N -1 3 263.084 1.627 10 0 CDAEHM CCCc1nc(C(=O)Nc2n[n-]c(OCC)n2)co1 ZINC001174745810 913330660 /nfs/dbraw/zinc/33/06/60/913330660.db2.gz VHBCEABAMCMNHM-UHFFFAOYSA-N -1 3 265.273 1.396 10 0 CDAEHM CCCc1nc(C(=O)Nc2nc(OCC)n[n-]2)co1 ZINC001174745810 913330677 /nfs/dbraw/zinc/33/06/77/913330677.db2.gz VHBCEABAMCMNHM-UHFFFAOYSA-N -1 3 265.273 1.396 10 0 CDAEHM CCOc1nnc(NC(=O)C(C)=Cc2ccccn2)[n-]1 ZINC001174745151 913332165 /nfs/dbraw/zinc/33/21/65/913332165.db2.gz NEXKAJOORVZRPK-CMDGGOBGSA-N -1 3 273.296 1.640 10 0 CDAEHM CCOc1nc(NC(=O)C(C)=Cc2ccccn2)n[n-]1 ZINC001174745151 913332188 /nfs/dbraw/zinc/33/21/88/913332188.db2.gz NEXKAJOORVZRPK-CMDGGOBGSA-N -1 3 273.296 1.640 10 0 CDAEHM CCOc1n[n-]c(NC(=O)C(C)=Cc2ccccn2)n1 ZINC001174745151 913332205 /nfs/dbraw/zinc/33/22/05/913332205.db2.gz NEXKAJOORVZRPK-CMDGGOBGSA-N -1 3 273.296 1.640 10 0 CDAEHM O=C(C=C[C@H]1CCOC1)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001177649711 914855876 /nfs/dbraw/zinc/85/58/76/914855876.db2.gz SHMKKPHGAZFBJI-DTWDLQQISA-N -1 3 289.335 1.269 10 0 CDAEHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cccnc1F ZINC000401798912 936913658 /nfs/dbraw/zinc/91/36/58/936913658.db2.gz RNKRQWWECOLMLV-VIFPVBQESA-N -1 3 260.334 1.791 10 0 CDAEHM Cc1nc(CC(=O)Nc2ccc(F)c(F)c2[O-])n[nH]1 ZINC001141880288 936951801 /nfs/dbraw/zinc/95/18/01/936951801.db2.gz SNPOBCOJLVRHGF-UHFFFAOYSA-N -1 3 268.223 1.278 10 0 CDAEHM Cc1ccccc1CC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000827907266 925999852 /nfs/dbraw/zinc/99/98/52/925999852.db2.gz PZSWNBDSOAYETR-ZDUSSCGKSA-N -1 3 285.347 1.982 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCCC(=O)C(C)(C)C ZINC001411770820 932007297 /nfs/dbraw/zinc/00/72/97/932007297.db2.gz WSEQOVSKPNWFLW-LLVKDONJSA-N -1 3 295.383 1.400 10 0 CDAEHM Cc1cc(C=O)c([O-])c(C(=O)N(C)CC2CN(C)C2)c1 ZINC001146320186 932238909 /nfs/dbraw/zinc/23/89/09/932238909.db2.gz NXPQOFSGKVLCRH-UHFFFAOYSA-N -1 3 276.336 1.147 10 0 CDAEHM C[C@@H](CN(C)C(=O)[C@@H](C)C(C)(C)C)NC(=O)c1cn[n-]n1 ZINC001412592946 932541296 /nfs/dbraw/zinc/54/12/96/932541296.db2.gz MTANUBGDZYUNCE-VHSXEESVSA-N -1 3 295.387 1.064 10 0 CDAEHM Cc1ncoc1C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001412709586 932656091 /nfs/dbraw/zinc/65/60/91/932656091.db2.gz VSRCGDYREMOVEY-YFKPBYRVSA-N -1 3 289.217 1.611 10 0 CDAEHM Clc1cnccc1CN1CC[C@H](c2nnn[n-]2)C1 ZINC001460695911 935914137 /nfs/dbraw/zinc/91/41/37/935914137.db2.gz PDYUVQZATMLEKV-VIFPVBQESA-N -1 3 264.720 1.238 10 0 CDAEHM Clc1cnccc1CN1CC[C@H](c2nn[n-]n2)C1 ZINC001460695911 935914139 /nfs/dbraw/zinc/91/41/39/935914139.db2.gz PDYUVQZATMLEKV-VIFPVBQESA-N -1 3 264.720 1.238 10 0 CDAEHM COc1cncc([N-]C(=O)c2ocnc2C(F)(F)F)n1 ZINC001413275329 935971400 /nfs/dbraw/zinc/97/14/00/935971400.db2.gz JAFVCQBQIVBUJA-UHFFFAOYSA-N -1 3 288.185 1.744 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(=O)[nH]c1 ZINC001413544613 936165065 /nfs/dbraw/zinc/16/50/65/936165065.db2.gz FKYBTCXWCRGWBO-UHFFFAOYSA-N -1 3 286.291 1.090 10 0 CDAEHM O=S(=O)([N-]CC1CCCC1)c1cccnc1F ZINC000401851854 940883471 /nfs/dbraw/zinc/88/34/71/940883471.db2.gz DDMNXZCPRGZRTB-UHFFFAOYSA-N -1 3 258.318 1.689 10 0 CDAEHM CC(C)=CC(=O)N(C)C[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001280978790 942518147 /nfs/dbraw/zinc/51/81/47/942518147.db2.gz QWIZTVSFFRNNQC-GFCCVEGCSA-N -1 3 290.363 1.935 10 0 CDAEHM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001362382274 971213122 /nfs/dbraw/zinc/21/31/22/971213122.db2.gz YEEMHVBUPLHCSE-VHSXEESVSA-N -1 3 295.289 1.787 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)[C@@H]2CC(c3ccccn3)=NO2)n1 ZINC001362597174 971440376 /nfs/dbraw/zinc/44/03/76/971440376.db2.gz DPFOAMIPMZULRM-ZDUSSCGKSA-N -1 3 298.302 1.622 10 0 CDAEHM COc1ccc(C(=O)N2CC[C@H](c3ncccn3)C2)c([O-])c1 ZINC001362988184 971791273 /nfs/dbraw/zinc/79/12/73/971791273.db2.gz XKWATELLSIFRLT-NSHDSACASA-N -1 3 299.330 1.821 10 0 CDAEHM O=C([C@@H]1C[C@H]1c1ccncc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001363005391 971808675 /nfs/dbraw/zinc/80/86/75/971808675.db2.gz QEPQQMDSUZGZLB-FRRDWIJNSA-N -1 3 298.346 1.630 10 0 CDAEHM COc1cccc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001363566919 953467017 /nfs/dbraw/zinc/46/70/17/953467017.db2.gz IZGUOPAYOZZINS-UHFFFAOYSA-N -1 3 299.330 1.998 10 0 CDAEHM COc1nc(C)cc(NCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC001363157589 971932709 /nfs/dbraw/zinc/93/27/09/971932709.db2.gz QAKISNUIYCNQEW-UHFFFAOYSA-N -1 3 287.323 1.779 10 0 CDAEHM CCC[C@H](OC)C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001363719872 953698460 /nfs/dbraw/zinc/69/84/60/953698460.db2.gz YLFRTQYSYHFPNN-RQJHMYQMSA-N -1 3 294.277 1.816 10 0 CDAEHM CCc1ccc(C(=O)N[C@@H]2CC[C@@H]([S@](C)=O)C2)c([O-])c1 ZINC001363221840 971992798 /nfs/dbraw/zinc/99/27/98/971992798.db2.gz UPSONGAMABNONF-HTGLOVNISA-N -1 3 295.404 1.984 10 0 CDAEHM CSC1(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)CC1 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298.272 1.603 10 0 CDAEHM FC(F)(F)c1cccnc1CN1CC[C@@H](c2nn[n-]n2)C1 ZINC001460688223 969532492 /nfs/dbraw/zinc/53/24/92/969532492.db2.gz RAFWNJADOHGWEV-MRVPVSSYSA-N -1 3 298.272 1.603 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(F)c(C)c2N)[n-]1 ZINC001466100895 969923534 /nfs/dbraw/zinc/92/35/34/969923534.db2.gz CJFINOKQVFUTSH-UHFFFAOYSA-N -1 3 265.248 1.095 10 0 CDAEHM COc1nc(NC(=O)c2ccc(F)c(C)c2N)n[n-]1 ZINC001466100895 969923546 /nfs/dbraw/zinc/92/35/46/969923546.db2.gz CJFINOKQVFUTSH-UHFFFAOYSA-N -1 3 265.248 1.095 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(F)c(C)c2N)n1 ZINC001466100895 969923553 /nfs/dbraw/zinc/92/35/53/969923553.db2.gz CJFINOKQVFUTSH-UHFFFAOYSA-N -1 3 265.248 1.095 10 0 CDAEHM Cc1cnccc1C=CC(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001467246119 970033466 /nfs/dbraw/zinc/03/34/66/970033466.db2.gz VNFCAQSHBUVGCP-NSCUHMNNSA-N -1 3 296.330 1.484 10 0 CDAEHM CS(=O)(=O)c1cc(C(=O)[N-]c2nocc2C2CC2)co1 ZINC001361938806 970694992 /nfs/dbraw/zinc/69/49/92/970694992.db2.gz BTWVNBXVLPAWFN-UHFFFAOYSA-N -1 3 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539112942 /nfs/dbraw/zinc/11/29/42/539112942.db2.gz SFXKAVQMYXWTCC-UHFFFAOYSA-N -1 3 290.323 1.919 10 0 CDAEHM COc1nc(NC(=O)CCCOc2ccc(C)cc2)n[n-]1 ZINC000158850792 539112943 /nfs/dbraw/zinc/11/29/43/539112943.db2.gz SFXKAVQMYXWTCC-UHFFFAOYSA-N -1 3 290.323 1.919 10 0 CDAEHM COc1n[n-]c(NC(=O)CCCOc2ccc(C)cc2)n1 ZINC000158850792 539112944 /nfs/dbraw/zinc/11/29/44/539112944.db2.gz SFXKAVQMYXWTCC-UHFFFAOYSA-N -1 3 290.323 1.919 10 0 CDAEHM CC[C@H]1C(=O)NCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000280152539 539127425 /nfs/dbraw/zinc/12/74/25/539127425.db2.gz AXFIKUPSCSTBFD-AWEZNQCLSA-N -1 3 298.342 1.896 10 0 CDAEHM Cc1cccc([O-])c1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000625902387 342276672 /nfs/dbraw/zinc/27/66/72/342276672.db2.gz ZFYAZOKRYLGRTF-TUAOUCFPSA-N -1 3 288.347 1.440 10 0 CDAEHM Cn1cc([C@@H]2CCCN2C(=O)c2cccc3[n-]nnc32)cn1 ZINC000187758547 539149659 /nfs/dbraw/zinc/14/96/59/539149659.db2.gz DIMUDZFBEAJVFB-ZDUSSCGKSA-N -1 3 296.334 1.669 10 0 CDAEHM 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/nfs/dbraw/zinc/67/76/81/343677681.db2.gz ISQKNZPIGUSYMT-OAHLLOKOSA-N -1 3 293.319 1.186 10 0 CDAEHM C/C=C\C[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000599475417 344062639 /nfs/dbraw/zinc/06/26/39/344062639.db2.gz OOWXAJMLSQBMSC-PLNGDYQASA-N -1 3 273.310 1.229 10 0 CDAEHM CS[C@@H](C)CCC(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000601652835 344213346 /nfs/dbraw/zinc/21/33/46/344213346.db2.gz KCXPAOJAZJHUAI-ZETCQYMHSA-N -1 3 271.342 1.036 10 0 CDAEHM CCOC(=O)[C@]1(C)CN(C(=O)c2ccccc2[O-])CCO1 ZINC000601914824 344279675 /nfs/dbraw/zinc/27/96/75/344279675.db2.gz MKGHHYIPXYOTOZ-HNNXBMFYSA-N -1 3 293.319 1.186 10 0 CDAEHM CCN1CCC[C@H]1CNc1ncncc1C(=O)[O-] ZINC000302310714 344854946 /nfs/dbraw/zinc/85/49/46/344854946.db2.gz GHJOHFPETURCBQ-VIFPVBQESA-N -1 3 250.302 1.071 10 0 CDAEHM C[C@@H]1CCC[C@@H](CCNC(=O)CC[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000604367707 344884428 /nfs/dbraw/zinc/88/44/28/344884428.db2.gz WRKVJHGIFJYGTH-WOPDTQHZSA-N -1 3 295.383 1.307 10 0 CDAEHM COc1cc(C(=O)NC[C@@H](OC)[C@@H]2CCOC2)ccc1[O-] 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CC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H](CO)C2)cc1[O-] ZINC000412938916 362662096 /nfs/dbraw/zinc/66/20/96/362662096.db2.gz PWMHNUOVFANPQP-WCQYABFASA-N -1 3 291.347 1.876 10 0 CDAEHM Cc1cccc(C(=O)N[C@@H]2Cc3cncn3C2)c1[O-] ZINC000623276152 345984330 /nfs/dbraw/zinc/98/43/30/345984330.db2.gz VWZQPGUIVJTGGK-SNVBAGLBSA-N -1 3 257.293 1.252 10 0 CDAEHM COc1cc(=NC(=O)C[C@@H](C)C(F)(F)F)[n-]n1C ZINC000626500558 346179143 /nfs/dbraw/zinc/17/91/43/346179143.db2.gz HTNLWSWWPFTCNA-ZCFIWIBFSA-N -1 3 265.235 1.378 10 0 CDAEHM CCN1CCC[C@@H](NC(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC000085338405 179024919 /nfs/dbraw/zinc/02/49/19/179024919.db2.gz XEDSFGCZUPBQHI-FRRDWIJNSA-N -1 3 297.399 1.413 10 0 CDAEHM NC[C@H](C(=O)N[C@H]1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000085324484 179017310 /nfs/dbraw/zinc/01/73/10/179017310.db2.gz OEJZUDVRCDUCJQ-IHRRRGAJSA-N -1 3 290.363 1.489 10 0 CDAEHM CCN1CCC(N(C)C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)CC1 ZINC000085407400 179055530 /nfs/dbraw/zinc/05/55/30/179055530.db2.gz PEBCJLPRRRXDPQ-NEPJUHHUSA-N -1 3 282.384 1.286 10 0 CDAEHM [O-]c1csc(N2CCC3(CC2)OCc2ncccc23)n1 ZINC000584634496 346510997 /nfs/dbraw/zinc/51/09/97/346510997.db2.gz HVRKLIUJACJFCZ-UHFFFAOYSA-N -1 3 289.360 1.532 10 0 CDAEHM O=C(N=c1cc2ccccn2[n-]1)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000626562444 346640182 /nfs/dbraw/zinc/64/01/82/346640182.db2.gz XQBAVVOWOUKHIZ-AAEUAGOBSA-N -1 3 286.335 1.445 10 0 CDAEHM Cc1cc(=O)[n-]c([C@@H](C)SC[C@@H]2CN(C)CCO2)n1 ZINC000566215132 370649963 /nfs/dbraw/zinc/64/99/63/370649963.db2.gz WDAMJLJBSAXNSO-MNOVXSKESA-N -1 3 283.397 1.615 10 0 CDAEHM C[C@@H](NC(=O)[C@@H](N)CC(=O)[O-])c1cc2ccccc2o1 ZINC000085814042 179178784 /nfs/dbraw/zinc/17/87/84/179178784.db2.gz QEFCXZGJZBUEKH-SCZZXKLOSA-N -1 3 276.292 1.412 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)Nc1ccccc1OC(F)F ZINC000085811638 179177789 /nfs/dbraw/zinc/17/77/89/179177789.db2.gz FQKMHNNWYZHUPB-ZCFIWIBFSA-N -1 3 274.223 1.029 10 0 CDAEHM CCCN(Cc1ccccc1)C(=O)[C@@H](N)CC(=O)[O-] ZINC000085811940 179178568 /nfs/dbraw/zinc/17/85/68/179178568.db2.gz DHNGZMPBXNLIQP-LBPRGKRZSA-N -1 3 264.325 1.227 10 0 CDAEHM C[C@H](NC(=O)[C@@H](N)CCC(=O)[O-])c1ccc(F)cc1F ZINC000085819277 179181691 /nfs/dbraw/zinc/18/16/91/179181691.db2.gz JMURNKFJCSDXJV-CPCISQLKSA-N -1 3 286.278 1.334 10 0 CDAEHM N[C@H](CCC(=O)[O-])C(=O)Nc1cc(F)cc(F)c1F ZINC000085844339 179186471 /nfs/dbraw/zinc/18/64/71/179186471.db2.gz QLEUOEBUTOJYFR-SSDOTTSWSA-N -1 3 276.214 1.235 10 0 CDAEHM N[C@@H](CC(=O)[O-])C(=O)Nc1cccc(-c2nccs2)c1 ZINC000085815163 179178969 /nfs/dbraw/zinc/17/89/69/179178969.db2.gz OHXUSOIARDEJCU-JTQLQIEISA-N -1 3 291.332 1.551 10 0 CDAEHM C[C@H](NC(=O)[C@@H](N)CC(=O)[O-])c1ccc(Cl)cc1 ZINC000085817494 179180084 /nfs/dbraw/zinc/18/00/84/179180084.db2.gz MNTDSOSSJDBPFY-XVKPBYJWSA-N -1 3 270.716 1.319 10 0 CDAEHM CCN(C(=O)[C@H](N)CC(=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000085816776 179180265 /nfs/dbraw/zinc/18/02/65/179180265.db2.gz KCXCRMTUEZSGQN-JOYOIKCWSA-N -1 3 280.324 1.104 10 0 CDAEHM CC(=O)c1ccc(C(=O)NC(C)(C)[C@H](C)O)cc1[O-] ZINC000613173027 347443876 /nfs/dbraw/zinc/44/38/76/347443876.db2.gz HQNIOTAWVFYQNV-VIFPVBQESA-N -1 3 265.309 1.484 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2CCc3cc(F)ccc32)n[n-]1 ZINC000613196803 347462910 /nfs/dbraw/zinc/46/29/10/347462910.db2.gz VBLWGJBSINWGHQ-SNVBAGLBSA-N -1 3 276.271 1.621 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2CCc3cc(F)ccc32)[n-]1 ZINC000613196803 347462913 /nfs/dbraw/zinc/46/29/13/347462913.db2.gz VBLWGJBSINWGHQ-SNVBAGLBSA-N -1 3 276.271 1.621 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2CCc3cc(F)ccc32)n1 ZINC000613196803 347462917 /nfs/dbraw/zinc/46/29/17/347462917.db2.gz VBLWGJBSINWGHQ-SNVBAGLBSA-N -1 3 276.271 1.621 10 0 CDAEHM O=C(CNC(=O)c1cccc([O-])c1)NCCC1=CCCC1 ZINC000275081041 365914991 /nfs/dbraw/zinc/91/49/91/365914991.db2.gz DTAJZBAIJGUFJB-UHFFFAOYSA-N -1 3 288.347 1.739 10 0 CDAEHM CO[C@@H](C(=O)[N-]c1nncn1C)C1CCCCC1 ZINC000613537350 347778653 /nfs/dbraw/zinc/77/86/53/347778653.db2.gz FTSUWDJMZJSVSP-SNVBAGLBSA-N -1 3 252.318 1.349 10 0 CDAEHM O=C(c1cc(F)ccc1[O-])N1CC[C@H](N2CCC2)[C@H](F)C1 ZINC000614093104 347990917 /nfs/dbraw/zinc/99/09/17/347990917.db2.gz NEYWWDSXARDIMJ-OLZOCXBDSA-N -1 3 296.317 1.790 10 0 CDAEHM COCC[C@@H](COC)NC(=O)c1cc(SC)ccc1[O-] ZINC000615048189 348319039 /nfs/dbraw/zinc/31/90/39/348319039.db2.gz KNSKOCUYLJCRTC-JTQLQIEISA-N -1 3 299.392 1.895 10 0 CDAEHM C[C@@H](C(=O)NCc1ncccc1[O-])C(=O)OC(C)(C)C ZINC000413788958 362897501 /nfs/dbraw/zinc/89/75/01/362897501.db2.gz WDBJYJIZAVPKQB-VIFPVBQESA-N -1 3 280.324 1.381 10 0 CDAEHM O=C(C[C@H]1CCOC1)NCc1ccc([O-])c2ncccc12 ZINC000616022106 349248991 /nfs/dbraw/zinc/24/89/91/349248991.db2.gz CJPSFDVMPMVMEL-LLVKDONJSA-N -1 3 286.331 1.983 10 0 CDAEHM COC(=O)[C@@H](C)CN(C)Cc1nc(C)ccc1[O-] ZINC000091985404 180298674 /nfs/dbraw/zinc/29/86/74/180298674.db2.gz XXHSFUIIIJCWNG-VIFPVBQESA-N -1 3 252.314 1.337 10 0 CDAEHM C[C@@]1(C(F)F)CN(C(=O)c2csc(=O)[n-]2)CCO1 ZINC000621191376 350479669 /nfs/dbraw/zinc/47/96/69/350479669.db2.gz GLUNXVAWXOOJIK-JTQLQIEISA-N -1 3 278.280 1.345 10 0 CDAEHM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc(F)c[n-]c1=O ZINC000622123411 351020651 /nfs/dbraw/zinc/02/06/51/351020651.db2.gz LDXKUPYLUBNYNE-NQMVMOMDSA-N -1 3 250.273 1.845 10 0 CDAEHM CCCn1c(=O)[n-]nc1SCCn1ccccc1=O ZINC000622486073 351190317 /nfs/dbraw/zinc/19/03/17/351190317.db2.gz UAPLPYYNPWJBLK-UHFFFAOYSA-N -1 3 280.353 1.348 10 0 CDAEHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@H]1Cn1cccn1 ZINC000069902149 351211948 /nfs/dbraw/zinc/21/19/48/351211948.db2.gz ZYKAZDVEQFYJIB-LBPRGKRZSA-N -1 3 296.334 1.459 10 0 CDAEHM CC(C)(C)c1csc(CS(=O)(=O)c2nnc[n-]2)n1 ZINC000151060592 363046886 /nfs/dbraw/zinc/04/68/86/363046886.db2.gz GHKFMALKPJKTSU-UHFFFAOYSA-N -1 3 286.382 1.533 10 0 CDAEHM Cc1cc(CNCc2ncccc2[O-])ccc1-n1cncn1 ZINC000355298637 366052976 /nfs/dbraw/zinc/05/29/76/366052976.db2.gz WYDPNSYGYRCLBN-UHFFFAOYSA-N -1 3 295.346 1.966 10 0 CDAEHM Cn1cc(NC([O-])=NO[C@H]2CCCCO2)c(C2CC2)n1 ZINC000292108087 198166825 /nfs/dbraw/zinc/16/68/25/198166825.db2.gz SMNCXRIUMYGVQI-NSHDSACASA-N 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284.381 1.949 10 0 CDAEHM C[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000158813527 188395241 /nfs/dbraw/zinc/39/52/41/188395241.db2.gz DXKZNJOIHJVKEW-YUMQZZPRSA-N -1 3 279.308 1.260 10 0 CDAEHM C[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000158831461 188396547 /nfs/dbraw/zinc/39/65/47/188396547.db2.gz MJFHKMBPKAQPFS-JGVFFNPUSA-N -1 3 295.763 1.774 10 0 CDAEHM C[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000158788873 188394560 /nfs/dbraw/zinc/39/45/60/188394560.db2.gz KDRUGXVRKSLRDC-SFYZADRCSA-N -1 3 279.308 1.260 10 0 CDAEHM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)O[C@@H]2C)nc1C ZINC000632649113 363298366 /nfs/dbraw/zinc/29/83/66/363298366.db2.gz YVXXUZFEWPHUOV-FXPVBKGRSA-N -1 3 287.385 1.056 10 0 CDAEHM CC1(C)[C@@H](O)CCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000336299386 363320081 /nfs/dbraw/zinc/32/00/81/363320081.db2.gz BSUPGVLMJDWSAD-LBPRGKRZSA-N -1 3 267.300 1.446 10 0 CDAEHM CN(C(=O)c1cc(F)ccc1[O-])[C@H]1CN2CCC1CC2 ZINC000336373451 363451577 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CDAEHM COC(=O)c1cccc([O-])c1I ZINC000238404002 360365646 /nfs/dbraw/zinc/36/56/46/360365646.db2.gz JNZRHECKQSCTAZ-UHFFFAOYSA-N -1 3 278.045 1.783 10 0 CDAEHM CCc1ccc(C(=O)N2CC(C)(C(N)=O)C2)c([O-])c1 ZINC000335555778 360417867 /nfs/dbraw/zinc/41/78/67/360417867.db2.gz XUUCETHCPQNHKJ-UHFFFAOYSA-N -1 3 262.309 1.952 10 0 CDAEHM C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000287991561 360460380 /nfs/dbraw/zinc/46/03/80/360460380.db2.gz ZGBHFTGUWFFZEG-IMTBSYHQSA-N -1 3 294.735 1.330 10 0 CDAEHM O=C([O-])c1ccc([C@@H]2CCOCCN2CCO)cc1 ZINC000616597560 360508431 /nfs/dbraw/zinc/50/84/31/360508431.db2.gz KBRDFOLXVOFJRI-ZDUSSCGKSA-N -1 3 265.309 1.141 10 0 CDAEHM CCOC(=O)C1(C(=O)NCc2ncccc2[O-])CCCC1 ZINC000566283542 370669377 /nfs/dbraw/zinc/66/93/77/370669377.db2.gz NXWPUZZPSKZMII-UHFFFAOYSA-N -1 3 292.335 1.527 10 0 CDAEHM CNC(=O)c1cccc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000566677810 360908674 /nfs/dbraw/zinc/90/86/74/360908674.db2.gz GIQYSVPKFUNZHY-SMDDNHRTSA-N -1 3 290.363 1.589 10 0 CDAEHM C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N(C)CCCC(=O)[O-] ZINC000430661748 360942007 /nfs/dbraw/zinc/94/20/07/360942007.db2.gz HWHSKCBLHSQKPT-UPJWGTAASA-N -1 3 284.400 1.676 10 0 CDAEHM C[C@@H]1CCC[C@H](CNC(=O)c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000338765740 361014398 /nfs/dbraw/zinc/01/43/98/361014398.db2.gz HSJCKAWGMBQQCE-MNOVXSKESA-N -1 3 292.383 1.804 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)[C@H]2CCOC[C@H]2C)n1 ZINC000408445381 361043378 /nfs/dbraw/zinc/04/33/78/361043378.db2.gz XDYKIPSJYGBTOO-SCZZXKLOSA-N -1 3 250.298 1.707 10 0 CDAEHM O=C(c1c[n-]c2ccccc2c1=O)N1CC2(C1)CCCO2 ZINC000628785406 361089728 /nfs/dbraw/zinc/08/97/28/361089728.db2.gz COGNIVVAKWFKOK-UHFFFAOYSA-N -1 3 284.315 1.533 10 0 CDAEHM CN1CCCC(C)(C)[C@H]1CN=c1[n-]c(C(N)=O)cs1 ZINC000432144612 361115112 /nfs/dbraw/zinc/11/51/12/361115112.db2.gz ZXJINVDPBPCUOX-SNVBAGLBSA-N -1 3 282.413 1.196 10 0 CDAEHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cc(F)c[nH]1 ZINC000339098352 361281665 /nfs/dbraw/zinc/28/16/65/361281665.db2.gz XMJSAZOMQODGIA-UHFFFAOYSA-N -1 3 272.243 1.586 10 0 CDAEHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cc(F)c[nH]1 ZINC000339098352 361281670 /nfs/dbraw/zinc/28/16/70/361281670.db2.gz XMJSAZOMQODGIA-UHFFFAOYSA-N -1 3 272.243 1.586 10 0 CDAEHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cc(F)c[nH]1 ZINC000339098352 361281671 /nfs/dbraw/zinc/28/16/71/361281671.db2.gz XMJSAZOMQODGIA-UHFFFAOYSA-N -1 3 272.243 1.586 10 0 CDAEHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cscn2)C12CCC2 ZINC000645755616 361305200 /nfs/dbraw/zinc/30/52/00/361305200.db2.gz RQAJSNZZWWLKRH-DTWKUNHWSA-N -1 3 288.394 1.379 10 0 CDAEHM COCc1n[n-]c(=NCCN2CCC(C)CC2)s1 ZINC000357042909 366715574 /nfs/dbraw/zinc/71/55/74/366715574.db2.gz SWHDCIVIPADJFS-UHFFFAOYSA-N -1 3 270.402 1.250 10 0 CDAEHM COc1ccc([O-])c(C(=O)NCCc2csc(=O)[nH]2)c1 ZINC000357073296 366739788 /nfs/dbraw/zinc/73/97/88/366739788.db2.gz ANLKRAXNLUOZGA-UHFFFAOYSA-N -1 3 294.332 1.535 10 0 CDAEHM Cc1nc(C)c(CC(=O)N2C[C@@H](C)CC[C@@H]2C)c(=O)[n-]1 ZINC000336561585 363747363 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364186484 /nfs/dbraw/zinc/18/64/84/364186484.db2.gz NIIVREILOJLOGO-CYBMUJFWSA-N -1 3 288.347 1.584 10 0 CDAEHM O=C(c1cc(F)c[n-]c1=O)N1CC(Cc2ccco2)C1 ZINC000630023365 364438361 /nfs/dbraw/zinc/43/83/61/364438361.db2.gz ANIXHRWZQXVXLY-UHFFFAOYSA-N -1 3 276.267 1.834 10 0 CDAEHM COC(=O)c1ccc(CNc2nc3nncc-3c(O)[n-]2)o1 ZINC000302701476 364541508 /nfs/dbraw/zinc/54/15/08/364541508.db2.gz IDKNKUQJFOQWBD-UHFFFAOYSA-N -1 3 289.251 1.050 10 0 CDAEHM CCN1CCCC[C@@H]1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352994812 364701281 /nfs/dbraw/zinc/70/12/81/364701281.db2.gz VKLNVLWMSYNJLJ-OLZOCXBDSA-N -1 3 292.383 1.496 10 0 CDAEHM Cc1ncc(CNC(=O)NCc2ncccc2[O-])s1 ZINC000471719920 364963493 /nfs/dbraw/zinc/96/34/93/364963493.db2.gz DJMWRLYMGIKCGZ-UHFFFAOYSA-N -1 3 278.337 1.552 10 0 CDAEHM COCCOCCCCNC(=O)NCc1ncccc1[O-] ZINC000471763085 364974327 /nfs/dbraw/zinc/97/43/27/364974327.db2.gz WAFSAZYFWZUMMJ-UHFFFAOYSA-N -1 3 297.355 1.030 10 0 CDAEHM O=C(NC[C@@H](CO)c1ccccc1)c1c([O-])cccc1O ZINC000180859113 365015568 /nfs/dbraw/zinc/01/55/68/365015568.db2.gz KAOZITITFPMBLM-LBPRGKRZSA-N -1 3 287.315 1.604 10 0 CDAEHM CO[C@@H]1CN(C(=O)c2cccc3[n-]nnc32)CC[C@H]1C ZINC000188130116 365077700 /nfs/dbraw/zinc/07/77/00/365077700.db2.gz KVJIBOLJOJOWEL-BXKDBHETSA-N -1 3 274.324 1.455 10 0 CDAEHM CO[C@@H]1CN(C(=O)c2cccc3nn[n-]c32)CC[C@H]1C ZINC000188130116 365077705 /nfs/dbraw/zinc/07/77/05/365077705.db2.gz KVJIBOLJOJOWEL-BXKDBHETSA-N -1 3 274.324 1.455 10 0 CDAEHM CO[C@@H]1CN(C(=O)c2cccc3n[n-]nc32)CC[C@H]1C ZINC000188130116 365077709 /nfs/dbraw/zinc/07/77/09/365077709.db2.gz KVJIBOLJOJOWEL-BXKDBHETSA-N -1 3 274.324 1.455 10 0 CDAEHM COC(=O)CCN(C(=O)c1cccc([O-])c1)C(C)C ZINC000357357595 366941284 /nfs/dbraw/zinc/94/12/84/366941284.db2.gz QZAHRRQSLLDVEZ-UHFFFAOYSA-N -1 3 265.309 1.806 10 0 CDAEHM O=C(NCCCc1nnc2ccccn21)c1cccc([O-])c1 ZINC000357340051 366928106 /nfs/dbraw/zinc/92/81/06/366928106.db2.gz SPLJHXSDIITVHU-UHFFFAOYSA-N -1 3 296.330 1.798 10 0 CDAEHM O=C(N[C@H](CO)c1cccc(F)c1)c1cccc([O-])c1 ZINC000357480757 367022032 /nfs/dbraw/zinc/02/20/32/367022032.db2.gz HLNNSBPXXBPMSP-CQSZACIVSA-N -1 3 275.279 1.995 10 0 CDAEHM CSc1c(C(=O)NCc2ccc([O-])c(F)c2)cnn1C ZINC000357737282 367176753 /nfs/dbraw/zinc/17/67/53/367176753.db2.gz XAXLIZBDFAYRIS-UHFFFAOYSA-N -1 3 295.339 1.917 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2CCO[C@@]3(CCSC3)C2)n1 ZINC000566852898 370826690 /nfs/dbraw/zinc/82/66/90/370826690.db2.gz SDRVVRGPRDEBMH-FZMZJTMJSA-N -1 3 295.408 1.760 10 0 CDAEHM CCOc1cccc(CN2C[C@@H](OC)C[C@H]2CC(=O)[O-])n1 ZINC000566859932 370829033 /nfs/dbraw/zinc/82/90/33/370829033.db2.gz ACWDYPUBSSWWLM-STQMWFEESA-N -1 3 294.351 1.544 10 0 CDAEHM C[C@@H](COc1ccccc1)C(=O)Nc1ccncc1[O-] ZINC000358346313 367620695 /nfs/dbraw/zinc/62/06/95/367620695.db2.gz DAZCIMUTOJUODK-NSHDSACASA-N -1 3 272.304 1.863 10 0 CDAEHM CC(=O)N(C)c1cccc(NC(=O)c2nc[n-]n2)c1 ZINC000358584239 367792547 /nfs/dbraw/zinc/79/25/47/367792547.db2.gz HMMLLMUHFAMXTG-UHFFFAOYSA-N -1 3 259.269 1.040 10 0 CDAEHM 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287.279 1.664 10 0 CDAEHM NC(=O)CCCCC(=O)Nc1cccc([O-])c1F ZINC000548004767 369719596 /nfs/dbraw/zinc/71/95/96/369719596.db2.gz WLXCLOHPPWNIEN-UHFFFAOYSA-N -1 3 254.261 1.516 10 0 CDAEHM COC(=O)CCCO[N-]C(=O)Nc1ccc2c(c1)OCO2 ZINC000289844647 369686096 /nfs/dbraw/zinc/68/60/96/369686096.db2.gz ULLBXSGSHKXEHT-UHFFFAOYSA-N -1 3 296.279 1.422 10 0 CDAEHM COc1cc(=NC(=O)N[C@H](C)CC(F)(F)F)[n-]n1C ZINC000548167282 369777397 /nfs/dbraw/zinc/77/73/97/369777397.db2.gz FYQSITDRYVHIDX-ZCFIWIBFSA-N -1 3 280.250 1.313 10 0 CDAEHM CC[C@@H](CC(=O)N=c1cc(OC)n(C)[n-]1)C(C)C ZINC000548471416 369870495 /nfs/dbraw/zinc/87/04/95/369870495.db2.gz DAKDNZJKOOBSAU-JTQLQIEISA-N -1 3 253.346 1.861 10 0 CDAEHM Cc1c(CN(C)C(=O)c2cccc([O-])c2)cnn1C ZINC000548397001 369841922 /nfs/dbraw/zinc/84/19/22/369841922.db2.gz PIIGAFUPAVNIAC-UHFFFAOYSA-N -1 3 259.309 1.706 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-]Cc1ccn(C)c1 ZINC000295305333 371206131 /nfs/dbraw/zinc/20/61/31/371206131.db2.gz VITRQRIAZHVXBE-UHFFFAOYSA-N -1 3 295.364 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374961266 /nfs/dbraw/zinc/96/12/66/374961266.db2.gz LRXYADSIHNYAIM-UHFFFAOYSA-N -1 3 251.246 1.070 10 0 CDAEHM COc1nc(NC(=O)N(C)Cc2ccco2)n[n-]1 ZINC000095466973 374961277 /nfs/dbraw/zinc/96/12/77/374961277.db2.gz LRXYADSIHNYAIM-UHFFFAOYSA-N -1 3 251.246 1.070 10 0 CDAEHM COc1n[n-]c(NC(=O)N(C)Cc2ccco2)n1 ZINC000095466973 374961284 /nfs/dbraw/zinc/96/12/84/374961284.db2.gz LRXYADSIHNYAIM-UHFFFAOYSA-N -1 3 251.246 1.070 10 0 CDAEHM COc1nnc(NC(=O)c2ccc(C)cc2F)[n-]1 ZINC000129390709 375193117 /nfs/dbraw/zinc/19/31/17/375193117.db2.gz YGBSFNBJIATURO-UHFFFAOYSA-N -1 3 250.233 1.513 10 0 CDAEHM COc1nc(NC(=O)c2ccc(C)cc2F)n[n-]1 ZINC000129390709 375193122 /nfs/dbraw/zinc/19/31/22/375193122.db2.gz YGBSFNBJIATURO-UHFFFAOYSA-N -1 3 250.233 1.513 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(C)cc2F)n1 ZINC000129390709 375193127 /nfs/dbraw/zinc/19/31/27/375193127.db2.gz YGBSFNBJIATURO-UHFFFAOYSA-N -1 3 250.233 1.513 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@H](C)[C@H](CO)SC)sc1C ZINC000427986273 247225846 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DIBPSVSQFQAVBE-GFCCVEGCSA-N -1 3 298.408 1.545 10 0 CDAEHM C[C@@H](CNC(=O)N(CCC(=O)[O-])C(C)(C)C)N(C)C ZINC000045111803 175310453 /nfs/dbraw/zinc/31/04/53/175310453.db2.gz MYYYVPCKLZCWFR-JTQLQIEISA-N -1 3 273.377 1.221 10 0 CDAEHM Cc1cccc(NC(=O)CCCN2CC(C(=O)[O-])C2)c1 ZINC000071174082 176053805 /nfs/dbraw/zinc/05/38/05/176053805.db2.gz AOGKKQQOTDKGKK-UHFFFAOYSA-N -1 3 276.336 1.730 10 0 CDAEHM Cc1cccc([N-]S(=O)(=O)c2c[nH]ccc2=O)c1 ZINC000071221042 176087098 /nfs/dbraw/zinc/08/70/98/176087098.db2.gz DMVYRERZJYEGHM-UHFFFAOYSA-N -1 3 264.306 1.484 10 0 CDAEHM COc1ccc2c(ccn(C(C(C)=O)=C(C)[O-])c2=O)c1 ZINC000071503149 176192888 /nfs/dbraw/zinc/19/28/88/176192888.db2.gz NNIOJYSESUOAON-UHFFFAOYSA-N -1 3 273.288 1.729 10 0 CDAEHM O=S(=O)([N-]CCC1(CO)CCC1)c1cncc(F)c1 ZINC000651907550 423887698 /nfs/dbraw/zinc/88/76/98/423887698.db2.gz VAJANYPYJIXVKK-UHFFFAOYSA-N -1 3 288.344 1.052 10 0 CDAEHM Cc1ccc(C(=O)NCCC2(CO)CCC2)c([O-])c1 ZINC000652932917 423903570 /nfs/dbraw/zinc/90/35/70/423903570.db2.gz CPJVLYLFGVOVQJ-UHFFFAOYSA-N -1 3 263.337 1.983 10 0 CDAEHM CCC(C)(C)[C@@H](C)NC(=O)C(=O)[N-]c1cnns1 ZINC000658372304 424077523 /nfs/dbraw/zinc/07/75/23/424077523.db2.gz YODCNJGGAMCMLS-SSDOTTSWSA-N -1 3 270.358 1.418 10 0 CDAEHM CCN=c1[n-]c(C(=O)N2CC[C@]3(CC3(F)F)C2)cs1 ZINC000653042450 424147696 /nfs/dbraw/zinc/14/76/96/424147696.db2.gz OOWORJPFGRZDPJ-NSHDSACASA-N -1 3 287.335 1.868 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1ccco1)[C@H]1CCCCO1 ZINC000655666341 424331788 /nfs/dbraw/zinc/33/17/88/424331788.db2.gz MPHURZOSVUSPRD-WDEREUQCSA-N -1 3 273.354 1.906 10 0 CDAEHM C[C@@H]1CCCCN1CCNC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000653308358 424547222 /nfs/dbraw/zinc/54/72/22/424547222.db2.gz IRKUXHRVQIPJGO-CJNGLKHVSA-N -1 3 294.395 1.788 10 0 CDAEHM CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000191037957 270287822 /nfs/dbraw/zinc/28/78/22/270287822.db2.gz PRTUTRDIKUJBTI-WDEREUQCSA-N -1 3 291.319 1.811 10 0 CDAEHM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000191037444 270288074 /nfs/dbraw/zinc/28/80/74/270288074.db2.gz FUNRKVXMDIFFFC-RKDXNWHRSA-N -1 3 291.319 1.811 10 0 CDAEHM CCOC1(C)CN(C(=O)c2c([O-])cccc2O)C1 ZINC000399945394 270375643 /nfs/dbraw/zinc/37/56/43/270375643.db2.gz QZPDZZXESFKSED-UHFFFAOYSA-N -1 3 251.282 1.349 10 0 CDAEHM CCN=c1[n-]c(C(=O)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cs1 ZINC000529975361 271082624 /nfs/dbraw/zinc/08/26/24/271082624.db2.gz MZPSWJGSCCEIQD-REIXXSIJSA-N -1 3 283.397 1.539 10 0 CDAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000529983005 271085547 /nfs/dbraw/zinc/08/55/47/271085547.db2.gz OBLRYCTYTQBBNR-YDEXJTGXSA-N -1 3 291.351 1.601 10 0 CDAEHM COCCCCN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530165494 271123750 /nfs/dbraw/zinc/12/37/50/271123750.db2.gz GNMAIWPONPVKKR-GFCCVEGCSA-N -1 3 253.298 1.690 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2COc3ccccc3C2)[n-]1 ZINC000158859377 278085255 /nfs/dbraw/zinc/08/52/55/278085255.db2.gz 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/nfs/dbraw/zinc/83/31/28/279833128.db2.gz ANKNHODMHFXIME-UHFFFAOYSA-N -1 3 276.336 1.525 10 0 CDAEHM Cc1ccccc1[C@H]1C[C@H](NC(=O)c2c[n-]nn2)C1 ZINC000519037522 281020591 /nfs/dbraw/zinc/02/05/91/281020591.db2.gz ZOSWTBHIDOFEPC-XYPYZODXSA-N -1 3 256.309 1.789 10 0 CDAEHM Cc1ccccc1[C@H]1C[C@H](NC(=O)c2cnn[n-]2)C1 ZINC000519037522 281020594 /nfs/dbraw/zinc/02/05/94/281020594.db2.gz ZOSWTBHIDOFEPC-XYPYZODXSA-N -1 3 256.309 1.789 10 0 CDAEHM Cc1ccccc1[C@H]1C[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000519037522 281020598 /nfs/dbraw/zinc/02/05/98/281020598.db2.gz ZOSWTBHIDOFEPC-XYPYZODXSA-N -1 3 256.309 1.789 10 0 CDAEHM CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)[N-]OCC(F)(F)F ZINC000228934808 281461323 /nfs/dbraw/zinc/46/13/23/281461323.db2.gz RTOIDFOUAWJRRB-DNSOKLHBSA-N -1 3 296.289 1.129 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c1 ZINC000094016969 289060124 /nfs/dbraw/zinc/06/01/24/289060124.db2.gz ODQPEODQDBIDRT-CMPLNLGQSA-N -1 3 290.363 1.681 10 0 CDAEHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c1 ZINC000094016970 289060262 /nfs/dbraw/zinc/06/02/62/289060262.db2.gz ODQPEODQDBIDRT-JQWIXIFHSA-N -1 3 290.363 1.681 10 0 CDAEHM CCCc1nc(C)c(C(=O)N=c2cc(OC)n(C)[n-]2)s1 ZINC000547492540 289780158 /nfs/dbraw/zinc/78/01/58/289780158.db2.gz ZGQXCUJLCTUGRH-UHFFFAOYSA-N -1 3 294.380 1.820 10 0 CDAEHM CC[C@@H]1CCC[C@H](NC(=O)N=c2cc(OC)n(C)[n-]2)C1 ZINC000547515603 289783248 /nfs/dbraw/zinc/78/32/48/289783248.db2.gz VQOIQPMRWPTQHY-MNOVXSKESA-N -1 3 280.372 1.941 10 0 CDAEHM CC[C@H](C(=O)N=c1cc(OC)n(C)[n-]1)c1ccccc1 ZINC000548470596 289891223 /nfs/dbraw/zinc/89/12/23/289891223.db2.gz FXBSNCIIHFMKGC-LBPRGKRZSA-N -1 3 273.336 1.983 10 0 CDAEHM Cc1co[n-]c1=NC(=O)c1cnc(OCC2CC2)cn1 ZINC000556937045 290316810 /nfs/dbraw/zinc/31/68/10/290316810.db2.gz VWRCINNLKOPHPB-UHFFFAOYSA-N -1 3 274.280 1.236 10 0 CDAEHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000562699230 293177701 /nfs/dbraw/zinc/17/77/01/293177701.db2.gz 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CC(=O)c1ccc(NC(=O)c2cn[n-]n2)cc1Cl ZINC000182802820 323302140 /nfs/dbraw/zinc/30/21/40/323302140.db2.gz WNVAYFYGAVGFEF-UHFFFAOYSA-N -1 3 264.672 1.913 10 0 CDAEHM CC(=O)CCCC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000184870469 323376425 /nfs/dbraw/zinc/37/64/25/323376425.db2.gz IHRVXLMRYOVDMX-UHFFFAOYSA-N -1 3 287.323 1.488 10 0 CDAEHM CC(=O)CCCC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000184870469 323376427 /nfs/dbraw/zinc/37/64/27/323376427.db2.gz IHRVXLMRYOVDMX-UHFFFAOYSA-N -1 3 287.323 1.488 10 0 CDAEHM C[C@H]([N-]S(=O)(=O)c1c[nH]cn1)[C@@H]1CC2CCC1CC2 ZINC000381692104 323631166 /nfs/dbraw/zinc/63/11/66/323631166.db2.gz NPGCLRAQDMQQPY-XKGSQUFQSA-N -1 3 283.397 1.903 10 0 CDAEHM COc1cc(=NC(=O)c2sccc2Cl)[n-]n1C ZINC000579017238 324084828 /nfs/dbraw/zinc/08/48/28/324084828.db2.gz QTSCUCCKHCPEIL-UHFFFAOYSA-N -1 3 271.729 1.818 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000579451942 324188782 /nfs/dbraw/zinc/18/87/82/324188782.db2.gz WTXQYKUCJSNFCM-WOPDTQHZSA-N -1 3 296.392 1.947 10 0 CDAEHM O=S(=O)([N-]CC1=CCOCC1)c1cncc(Cl)c1 ZINC000583245042 325134751 /nfs/dbraw/zinc/13/47/51/325134751.db2.gz QWSNDGOBXBPSRB-UHFFFAOYSA-N -1 3 288.756 1.360 10 0 CDAEHM Cn1cnnc1[N-]C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000382382064 1160147880 /nfs/dbraw/zinc/14/78/80/1160147880.db2.gz CYXREFGWOBMRCK-UHFFFAOYSA-N -1 3 265.204 1.115 10 0 CDAEHM C[C@@H](CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)N1CCCC[C@@H]1C ZINC000653309301 482425318 /nfs/dbraw/zinc/42/53/18/482425318.db2.gz ZBDPUKHBQQJUHX-FQUUOJAGSA-N -1 3 296.411 1.866 10 0 CDAEHM CCN(CC)S(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000672429295 482577229 /nfs/dbraw/zinc/57/72/29/482577229.db2.gz FRJALXVAUKCHJW-MRVPVSSYSA-N -1 3 256.318 1.350 10 0 CDAEHM O=C(NCC[C@H]1CCCO1)c1cc(F)cc2nn[n-]c21 ZINC000669694732 482955343 /nfs/dbraw/zinc/95/53/43/482955343.db2.gz MCXFUKFXAGAABP-SECBINFHSA-N -1 3 278.287 1.396 10 0 CDAEHM O=C(NCC[C@H]1CCCO1)c1cc(F)cc2[n-]nnc21 ZINC000669694732 482955346 /nfs/dbraw/zinc/95/53/46/482955346.db2.gz MCXFUKFXAGAABP-SECBINFHSA-N -1 3 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288.303 1.039 10 0 CDAEHM CCc1nn(C)c(Cl)c1C(=O)[N-]c1cnoc1 ZINC000767377220 576185561 /nfs/dbraw/zinc/18/55/61/576185561.db2.gz JBGREHZIOJPLEM-UHFFFAOYSA-N -1 3 254.677 1.876 10 0 CDAEHM O=C(CN1CC(=O)[N-]C1=O)OCc1cc2ccccc2o1 ZINC000768030736 576250478 /nfs/dbraw/zinc/25/04/78/576250478.db2.gz IOTNCSZQHOAKHX-UHFFFAOYSA-N -1 3 288.259 1.028 10 0 CDAEHM CC[C@H](O)[C@@H]1CCCCN1Cc1nc(C)cc(=O)[n-]1 ZINC000761876485 576602426 /nfs/dbraw/zinc/60/24/26/576602426.db2.gz RQJXZMXJKAQGLY-RYUDHWBXSA-N -1 3 265.357 1.616 10 0 CDAEHM COC(=O)[C@@H]1CC12CCN(Cc1nc(C)cc(=O)[n-]1)CC2 ZINC000761877214 576602445 /nfs/dbraw/zinc/60/24/45/576602445.db2.gz UZUMGGCNKLSNNY-NSHDSACASA-N -1 3 291.351 1.266 10 0 CDAEHM Cc1cc(=O)[n-]c(CN(C)Cc2cccc(O)c2)n1 ZINC000761881748 576602978 /nfs/dbraw/zinc/60/29/78/576602978.db2.gz LOHXBWOCLNGDQE-UHFFFAOYSA-N -1 3 259.309 1.828 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2CCC(O[C@@H]3CCOC3)CC2)n1 ZINC000761886145 576603584 /nfs/dbraw/zinc/60/35/84/576603584.db2.gz 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ZINC000897496772 620872984 /nfs/dbraw/zinc/87/29/84/620872984.db2.gz RJFTYQPNGBTLMI-WCBMZHEXSA-N -1 3 272.312 1.180 10 0 CDAEHM CC(=O)c1cccc(NC(=O)[C@H]2C[C@@H](C)CO2)c1[O-] ZINC000897764361 621099170 /nfs/dbraw/zinc/09/91/70/621099170.db2.gz FECVCHZMJOYPNZ-PRHODGIISA-N -1 3 263.293 1.958 10 0 CDAEHM O=C(Cc1ccc(F)cc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898207479 621363227 /nfs/dbraw/zinc/36/32/27/621363227.db2.gz LFLICLRVEDYNJK-LLVKDONJSA-N -1 3 289.310 1.813 10 0 CDAEHM C[C@@H](CC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)C1CC1 ZINC000898210230 621364916 /nfs/dbraw/zinc/36/49/16/621364916.db2.gz DHGUKZCXKYQIIG-GXSJLCMTSA-N -1 3 263.341 1.867 10 0 CDAEHM C[C@H](CC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)n1cccc1 ZINC000898212353 621366466 /nfs/dbraw/zinc/36/64/66/621366466.db2.gz HUINYXRXWRHVFM-NEPJUHHUSA-N -1 3 288.351 1.884 10 0 CDAEHM COc1cccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)n1 ZINC000898216423 621368704 /nfs/dbraw/zinc/36/87/04/621368704.db2.gz RKVSKFFPHKZLRR-SECBINFHSA-N -1 3 288.307 1.149 10 0 CDAEHM CC[C@H](SC)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217581 621371288 /nfs/dbraw/zinc/37/12/88/621371288.db2.gz NUNSVZGIHDVQLM-WPRPVWTQSA-N -1 3 269.370 1.573 10 0 CDAEHM O=C(c1cnc(C2CC2)o1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898225808 621414198 /nfs/dbraw/zinc/41/41/98/621414198.db2.gz HKZQDDOVDIHLSZ-VIFPVBQESA-N -1 3 288.307 1.610 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)C[C@@H](C)n2cccc2)n1 ZINC000898266110 621436469 /nfs/dbraw/zinc/43/64/69/621436469.db2.gz WBXVDNWJHCVIKO-LLVKDONJSA-N -1 3 274.324 1.560 10 0 CDAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC000898743836 621853969 /nfs/dbraw/zinc/85/39/69/621853969.db2.gz UOOYTEWJHWNOGI-MJBXVCDLSA-N -1 3 291.395 1.831 10 0 CDAEHM C[C@@H]1[C@H](O)CCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000899747045 622413045 /nfs/dbraw/zinc/41/30/45/622413045.db2.gz SOVTXQONZCBVTJ-BXKDBHETSA-N -1 3 287.319 1.321 10 0 CDAEHM C/C(=C/C(=O)Nc1cccc([O-])c1F)CN1CCOCC1 ZINC000901241905 624032216 /nfs/dbraw/zinc/03/22/16/624032216.db2.gz BTJKNQNGLLVTKX-LUAWRHEFSA-N -1 3 294.326 1.748 10 0 CDAEHM COc1cc(CN2CC[C@](OC)(C(=O)[O-])C2)cc(OC)c1 ZINC000901542641 624327773 /nfs/dbraw/zinc/32/77/73/624327773.db2.gz QPNRQWUQKLCBLA-OAHLLOKOSA-N -1 3 295.335 1.379 10 0 CDAEHM COc1ncncc1CN1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000901552923 624346391 /nfs/dbraw/zinc/34/63/91/624346391.db2.gz HNJZCBVPJBKOKN-FZMZJTMJSA-N -1 3 277.324 1.172 10 0 CDAEHM Cc1ccsc1CNCc1cnn(C)c1C(=O)[O-] ZINC000904068897 626184776 /nfs/dbraw/zinc/18/47/76/626184776.db2.gz HMJVTEQUICTRDG-UHFFFAOYSA-N -1 3 265.338 1.778 10 0 CDAEHM CC(C)(O)[C@H](O)C(=O)Nc1c([O-])cccc1Cl ZINC000908412284 628187550 /nfs/dbraw/zinc/18/75/50/628187550.db2.gz FRMSYMGVHYYDCR-SECBINFHSA-N -1 3 259.689 1.116 10 0 CDAEHM CC[C@@H]1CC[C@H](C)N(C(=O)CN2CCC[C@H](C(=O)[O-])C2)C1 ZINC000910032083 628819552 /nfs/dbraw/zinc/81/95/52/628819552.db2.gz BISQRHAKPNMECP-MJBXVCDLSA-N -1 3 296.411 1.820 10 0 CDAEHM O=C(Nc1cc(F)cc(F)c1[O-])C1CN([C@H]2CCOC2)C1 ZINC000910990626 629139443 /nfs/dbraw/zinc/13/94/43/629139443.db2.gz FBUAHNOFRZUMPK-JTQLQIEISA-N -1 3 298.289 1.330 10 0 CDAEHM CCN1CCC[C@@H]1CNC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000911095672 629169842 /nfs/dbraw/zinc/16/98/42/629169842.db2.gz GHKWFYMEZDBHAQ-BPOWMSRESA-N -1 3 292.335 1.592 10 0 CDAEHM CC[C@@H]1CCC[C@]1(C)C(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000911217997 629204529 /nfs/dbraw/zinc/20/45/29/629204529.db2.gz AJQSTZHSAMJECS-CJNGLKHVSA-N -1 3 296.411 1.822 10 0 CDAEHM CCC(C)(C)C(=O)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911851704 629589749 /nfs/dbraw/zinc/58/97/49/629589749.db2.gz FMIDLDLNLWFNBR-SECBINFHSA-N -1 3 279.340 1.437 10 0 CDAEHM O=C(C=Cc1ccco1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911852213 629590481 /nfs/dbraw/zinc/59/04/81/629590481.db2.gz KJHADFOECIITAS-UMBAGQNISA-N -1 3 273.292 1.738 10 0 CDAEHM CS/C=C/C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911852718 629591531 /nfs/dbraw/zinc/59/15/31/629591531.db2.gz PEOHZZNQFACNHC-WGAJWPLOSA-N -1 3 253.327 1.308 10 0 CDAEHM CC1=C(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)CCC1 ZINC000911854205 629592295 /nfs/dbraw/zinc/59/22/95/629592295.db2.gz JMGYDTSIUJYKSC-SNVBAGLBSA-N -1 3 261.325 1.932 10 0 CDAEHM C=C/C(C)=C\CC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000911855961 629593997 /nfs/dbraw/zinc/59/39/97/629593997.db2.gz YHJILGWYVHRDPM-YWEYNIOJSA-N -1 3 265.338 1.610 10 0 CDAEHM c1nc(C2CC2)oc1CSCCc1nnn[n-]1 ZINC000917858275 632291614 /nfs/dbraw/zinc/29/16/14/632291614.db2.gz ACYHTSCNWNLMQR-UHFFFAOYSA-N -1 3 251.315 1.541 10 0 CDAEHM c1nc(C2CC2)oc1CSCCc1nn[n-]n1 ZINC000917858275 632291619 /nfs/dbraw/zinc/29/16/19/632291619.db2.gz ACYHTSCNWNLMQR-UHFFFAOYSA-N -1 3 251.315 1.541 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2cc3n(n2)CCCC3)o1 ZINC000919615758 632643114 /nfs/dbraw/zinc/64/31/14/632643114.db2.gz FVAIKAPHVNRLJT-UHFFFAOYSA-N -1 3 295.364 1.599 10 0 CDAEHM COCCS(=O)(=O)[N-][C@@H](C(=O)C(C)C)c1ccccc1 ZINC000920553719 632805641 /nfs/dbraw/zinc/80/56/41/632805641.db2.gz FMNHCJOIWOIJTF-CYBMUJFWSA-N -1 3 299.392 1.519 10 0 CDAEHM 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CDAEHM COc1nc(NC(=O)C=C(C)c2cccs2)n[n-]1 ZINC001636377313 1166673286 /nfs/dbraw/zinc/67/32/86/1166673286.db2.gz VHIMMRFBZIVNPI-VOTSOKGWSA-N -1 3 264.310 1.917 10 0 CDAEHM COc1n[n-]c(NC(=O)C=C(C)c2cccs2)n1 ZINC001636377313 1166673289 /nfs/dbraw/zinc/67/32/89/1166673289.db2.gz VHIMMRFBZIVNPI-VOTSOKGWSA-N -1 3 264.310 1.917 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)C=C(C)C2CC2)[n-]n1 ZINC001637764369 1166783521 /nfs/dbraw/zinc/78/35/21/1166783521.db2.gz XVLNBJAGIQMAFN-VURMDHGXSA-N -1 3 263.297 1.881 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)/C=C(/C)C2CC2)n[n-]1 ZINC001637764369 1166783523 /nfs/dbraw/zinc/78/35/23/1166783523.db2.gz XVLNBJAGIQMAFN-VURMDHGXSA-N -1 3 263.297 1.881 10 0 CDAEHM O=C(Nc1nc(C2CC2)c[nH]1)c1ccc(-c2nnn[n-]2)cn1 ZINC001639347892 1166927990 /nfs/dbraw/zinc/92/79/90/1166927990.db2.gz DPSGYIBOFDFCJW-UHFFFAOYSA-N -1 3 296.294 1.115 10 0 CDAEHM O=C(Nc1nc(C2CC2)c[nH]1)c1ccc(-c2nn[n-]n2)cn1 ZINC001639347892 1166927997 /nfs/dbraw/zinc/92/79/97/1166927997.db2.gz DPSGYIBOFDFCJW-UHFFFAOYSA-N -1 3 296.294 1.115 10 0 CDAEHM O=C(c1ccc(F)c([O-])c1)N1CC(N2CCCC2)C1 ZINC001641155099 1167081207 /nfs/dbraw/zinc/08/12/07/1167081207.db2.gz SMBWXGQPNDTUDY-UHFFFAOYSA-N -1 3 264.300 1.452 10 0 CDAEHM COc1cccc(CN[C@@H](COC(C)C)C(=O)[O-])c1F ZINC001646081949 1167638568 /nfs/dbraw/zinc/63/85/68/1167638568.db2.gz SFRUGHFQBVYZGH-NSHDSACASA-N -1 3 285.315 1.802 10 0 CDAEHM CCc1cccc(C(=O)Nc2ccc[n+]([O-])c2)c1[O-] ZINC001647805558 1169056598 /nfs/dbraw/zinc/05/65/98/1169056598.db2.gz CWZIREUZIWIUEA-UHFFFAOYSA-N -1 3 258.277 1.840 10 0 CDAEHM Cc1cnc2nc(C(=O)[N-]c3ccc(F)nc3F)nn2c1 ZINC001585246637 1172884939 /nfs/dbraw/zinc/88/49/39/1172884939.db2.gz LIRVFSLUDUGHNK-UHFFFAOYSA-N -1 3 290.233 1.358 10 0 CDAEHM CCCC(=O)NC/C=C\CNC(=O)c1ccccc1[O-] ZINC001721776280 1181402571 /nfs/dbraw/zinc/40/25/71/1181402571.db2.gz NQFRLMRCYDKBJY-WAYWQWQTSA-N -1 3 276.336 1.595 10 0 CDAEHM Cc1cccc(C[C@@H](CNCc2nccn2C)C(=O)[O-])c1 ZINC001771909637 1186946719 /nfs/dbraw/zinc/94/67/19/1186946719.db2.gz AFRBLUSJFHLVAM-AWEZNQCLSA-N -1 3 287.363 1.762 10 0 CDAEHM CCOc1nc(NC(=O)c2ccc3cccnn32)n[n-]1 ZINC001649164955 1164484959 /nfs/dbraw/zinc/48/49/59/1164484959.db2.gz KPSYIJUDJWBKTL-UHFFFAOYSA-N -1 3 272.268 1.103 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2ccc3cccnn32)n1 ZINC001649164955 1164484965 /nfs/dbraw/zinc/48/49/65/1164484965.db2.gz KPSYIJUDJWBKTL-UHFFFAOYSA-N -1 3 272.268 1.103 10 0 CDAEHM CC(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)N=S(C)(C)=O ZINC000866732384 1164816608 /nfs/dbraw/zinc/81/66/08/1164816608.db2.gz LSRVQMFXFOGCSI-QWRGUYRKSA-N -1 3 296.458 1.763 10 0 CDAEHM CCO[C@@H]1COCC[C@H]1CC(=O)[N-]OC[C@@H](C)CC ZINC000868522962 1164958372 /nfs/dbraw/zinc/95/83/72/1164958372.db2.gz QPLIPBZNSJYORH-RWMBFGLXSA-N -1 3 273.373 1.912 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccnc(Cl)c1F ZINC001628274363 1166058764 /nfs/dbraw/zinc/05/87/64/1166058764.db2.gz IGWXQPBXTCZERR-ZETCQYMHSA-N -1 3 298.705 1.116 10 0 CDAEHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1C[C@@H]1F ZINC001634451810 1166501385 /nfs/dbraw/zinc/50/13/85/1166501385.db2.gz DKNMBQJBYWUVMG-BDAKNGLRSA-N -1 3 251.261 1.034 10 0 CDAEHM COc1cnc(F)c(C(=O)Nc2ncccc2[O-])c1 ZINC001638378822 1166841968 /nfs/dbraw/zinc/84/19/68/1166841968.db2.gz AVXOOOBNTPWMMV-UHFFFAOYSA-N -1 3 263.228 1.582 10 0 CDAEHM CC(=O)C(C)(C)CCC(=O)[N-]OC1CCOCC1 ZINC000775247714 837445549 /nfs/dbraw/zinc/44/55/49/837445549.db2.gz NMHXGEQRVXYCBV-UHFFFAOYSA-N -1 3 257.330 1.609 10 0 CDAEHM O=C(NC[C@@H]1COCO1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000861977725 837449987 /nfs/dbraw/zinc/44/99/87/837449987.db2.gz RSQUYTAWHFDAOR-SNVBAGLBSA-N -1 3 291.225 1.514 10 0 CDAEHM Clc1ccc(CN2CC[C@@H](c3nnn[n-]3)C2)cn1 ZINC001644305158 1167305572 /nfs/dbraw/zinc/30/55/72/1167305572.db2.gz JSDZDOWMAPQIGQ-SECBINFHSA-N -1 3 264.720 1.238 10 0 CDAEHM Clc1ccc(CN2CC[C@@H](c3nn[n-]n3)C2)cn1 ZINC001644305158 1167305576 /nfs/dbraw/zinc/30/55/76/1167305576.db2.gz JSDZDOWMAPQIGQ-SECBINFHSA-N -1 3 264.720 1.238 10 0 CDAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]C1(C2CCC2)CC1 ZINC000867463958 837551914 /nfs/dbraw/zinc/55/19/14/837551914.db2.gz UZCHSCFNCBDVHD-INIZCTEOSA-N -1 3 280.415 1.271 10 0 CDAEHM CCON(C)C(=O)CNC(=O)c1cc([O-])ccc1Cl ZINC000846507973 837764814 /nfs/dbraw/zinc/76/48/14/837764814.db2.gz IPVJWNXVMIAKSH-UHFFFAOYSA-N -1 3 286.715 1.185 10 0 CDAEHM CON1CCC(CC(=O)[N-]OC2CCCC2)CC1 ZINC000831702388 837829939 /nfs/dbraw/zinc/82/99/39/837829939.db2.gz NUWMLHNUMBMVTL-UHFFFAOYSA-N -1 3 256.346 1.640 10 0 CDAEHM CC[C@H]1C[C@H](NC(=O)c2ccc(N)cc2[O-])CCO1 ZINC000818021316 837834501 /nfs/dbraw/zinc/83/45/01/837834501.db2.gz YARMPJBHTVSTNA-MNOVXSKESA-N -1 3 264.325 1.662 10 0 CDAEHM O=C([N-]OCc1cccnc1)[C@@H]1C[C@H]1C(F)(F)F ZINC000827169722 837833975 /nfs/dbraw/zinc/83/39/75/837833975.db2.gz MYPWCLFLSFTYDO-RKDXNWHRSA-N -1 3 260.215 1.828 10 0 CDAEHM CC[C@@H](C[C@@H](C)O)[N-]S(=O)(=O)c1cccnc1Cl ZINC000716792600 835771478 /nfs/dbraw/zinc/77/14/78/835771478.db2.gz FPYABJFHKUBMDU-BDAKNGLRSA-N -1 3 292.788 1.563 10 0 CDAEHM O=C([O-])c1cccnc1CN1CCC[C@H](CF)C1 ZINC000711452450 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CDAEHM CC(C)(C)OC(=O)[C@H](C(=O)[O-])[C@@H](N)c1ccc(F)cc1 ZINC000071617900 176235326 /nfs/dbraw/zinc/23/53/26/176235326.db2.gz CKFBRKPEHTYRCM-QWRGUYRKSA-N -1 3 283.299 1.868 10 0 CDAEHM CC(C)c1ccc(OC(=O)C[N-]S(C)(=O)=O)cc1 ZINC000074598925 176590803 /nfs/dbraw/zinc/59/08/03/176590803.db2.gz JBGARHXFKFYOPD-UHFFFAOYSA-N -1 3 271.338 1.265 10 0 CDAEHM CC[C@H]1CC[C@H](C)N1C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000548165771 289852910 /nfs/dbraw/zinc/85/29/10/289852910.db2.gz JFMRNZBQVNBHTM-UWVGGRQHSA-N -1 3 266.345 1.645 10 0 CDAEHM COC(=O)[C@@H](C)CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185748699 262308176 /nfs/dbraw/zinc/30/81/76/262308176.db2.gz JDZKBXZNUVBDIB-JTQLQIEISA-N -1 3 291.347 1.810 10 0 CDAEHM O=S(=O)([N-]CCC1(CO)CCC1)c1ccco1 ZINC000651906168 423884506 /nfs/dbraw/zinc/88/45/06/423884506.db2.gz LTFHZTRILHMPIC-UHFFFAOYSA-N -1 3 259.327 1.111 10 0 CDAEHM O=C(NCCC1(CO)CCC1)c1cccc2nn[n-]c21 ZINC000652932506 423903203 /nfs/dbraw/zinc/90/32/03/423903203.db2.gz UBLLYYQISWIRSD-UHFFFAOYSA-N -1 3 274.324 1.240 10 0 CDAEHM O=C(NCCC1(CO)CCC1)c1cccc2[n-]nnc21 ZINC000652932506 423903215 /nfs/dbraw/zinc/90/32/15/423903215.db2.gz UBLLYYQISWIRSD-UHFFFAOYSA-N -1 3 274.324 1.240 10 0 CDAEHM O=C(NCCC1(CO)CCC1)c1cccc2n[n-]nc21 ZINC000652932506 423903225 /nfs/dbraw/zinc/90/32/25/423903225.db2.gz UBLLYYQISWIRSD-UHFFFAOYSA-N -1 3 274.324 1.240 10 0 CDAEHM O=C([O-])[C@@H](C(=O)N1CCCN(C2CCCC2)CC1)C1CC1 ZINC000663112778 424654154 /nfs/dbraw/zinc/65/41/54/424654154.db2.gz ASERWZMCDRUKLV-CQSZACIVSA-N -1 3 294.395 1.574 10 0 CDAEHM O=S(=O)([N-]CCC1CC(F)(F)C1)c1cscn1 ZINC000517736240 270531526 /nfs/dbraw/zinc/53/15/26/270531526.db2.gz MKMZBIZMIZWQCT-UHFFFAOYSA-N -1 3 282.337 1.857 10 0 CDAEHM COc1cc(=NC(=O)N[C@H]2CCCC(C)(C)C2)[n-]n1C ZINC000525957380 270627714 /nfs/dbraw/zinc/62/77/14/270627714.db2.gz PFXYABDHTYOAHR-JTQLQIEISA-N -1 3 280.372 1.941 10 0 CDAEHM O=C(C[C@H]1CCOC1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000525967571 270628239 /nfs/dbraw/zinc/62/82/39/270628239.db2.gz 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/nfs/dbraw/zinc/20/10/80/278201080.db2.gz YZNWXPHGLBNZNM-NOZJJQNGSA-N -1 3 292.335 1.505 10 0 CDAEHM COc1cccc(C(=O)NCCCCn2ccnc2)c1[O-] ZINC000044389394 279146190 /nfs/dbraw/zinc/14/61/90/279146190.db2.gz XMSVJJIANMJFGY-UHFFFAOYSA-N -1 3 289.335 1.808 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000249573268 280464908 /nfs/dbraw/zinc/46/49/08/280464908.db2.gz OUAQITIFDNFFFJ-BRPSZJMVSA-N -1 3 263.297 1.571 10 0 CDAEHM CC1(C)OC[C@H]2C[C@]21NC(=O)Cc1cncc([O-])c1 ZINC000529792974 281363488 /nfs/dbraw/zinc/36/34/88/281363488.db2.gz LLMYYGCQTVWVDH-YGRLFVJLSA-N -1 3 262.309 1.013 10 0 CDAEHM Cc1cc(=O)[nH]cc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000150805693 289073884 /nfs/dbraw/zinc/07/38/84/289073884.db2.gz KKLSSKUPUKRSHQ-UHFFFAOYSA-N -1 3 276.267 1.458 10 0 CDAEHM CN(C(=O)C[C@@H]1NC(=O)[N-]C1=O)C1CCC(C)(C)CC1 ZINC000153606839 289175498 /nfs/dbraw/zinc/17/54/98/289175498.db2.gz PDTZFCSIKWRHLL-JTQLQIEISA-N -1 3 281.356 1.012 10 0 CDAEHM CCc1c(C(=O)Nc2ncccc2[O-])[nH]c(C)c1C(N)=O ZINC000157994639 289299274 /nfs/dbraw/zinc/29/92/74/289299274.db2.gz VDIIHLZLBNFXLK-UHFFFAOYSA-N -1 3 288.307 1.337 10 0 CDAEHM C[C@@H]1COC[C@@H](C)N1C(=O)/C=C\c1cncc([O-])c1 ZINC000255292829 289364014 /nfs/dbraw/zinc/36/40/14/289364014.db2.gz XYBRLTIRFCVBFD-ANDSXOESSA-N -1 3 262.309 1.436 10 0 CDAEHM C[C@@H](CCNC(=O)N=c1cc2ccccn2[n-]1)[S@](C)=O ZINC000554414333 290158378 /nfs/dbraw/zinc/15/83/78/290158378.db2.gz ZGACABAZEPITJO-FVINQWEUSA-N -1 3 294.380 1.035 10 0 CDAEHM CCc1ccccc1C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000555534929 290223269 /nfs/dbraw/zinc/22/32/69/290223269.db2.gz RAWDGMUIAGDZTH-CYBMUJFWSA-N -1 3 299.378 1.767 10 0 CDAEHM C[C@]1(F)CCCN(C(=O)c2cccc3[n-]nnc32)C1 ZINC000556377430 290265495 /nfs/dbraw/zinc/26/54/95/290265495.db2.gz AVQGLRSPHZWSDJ-ZDUSSCGKSA-N -1 3 262.288 1.922 10 0 CDAEHM C[C@]1(F)CCCN(C(=O)c2cccc3nn[n-]c32)C1 ZINC000556377430 290265497 /nfs/dbraw/zinc/26/54/97/290265497.db2.gz AVQGLRSPHZWSDJ-ZDUSSCGKSA-N -1 3 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260.337 1.978 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]OCCN2CCCC2)s1 ZINC000062578397 525579597 /nfs/dbraw/zinc/57/95/97/525579597.db2.gz WQFGNOAPKPRSFT-UHFFFAOYSA-N -1 3 290.410 1.362 10 0 CDAEHM O=C([O-])[C@@H]1CCC[C@@H]1N1CCN(CC2CC2)CC1 ZINC000062756262 526275749 /nfs/dbraw/zinc/27/57/49/526275749.db2.gz TWGSOWUKHDXWQJ-OLZOCXBDSA-N -1 3 252.358 1.267 10 0 CDAEHM O=C(C1CC1)[C@@H]1CN(Cc2c(F)ccc([O-])c2F)CCO1 ZINC000353361914 526287046 /nfs/dbraw/zinc/28/70/46/526287046.db2.gz WQWCOFPLUPDFBU-ZDUSSCGKSA-N -1 3 297.301 1.850 10 0 CDAEHM O=C([O-])[C@@]1(NCc2cccc(OC(F)F)c2)CCOC1 ZINC000340672519 526296224 /nfs/dbraw/zinc/29/62/24/526296224.db2.gz ATNKFQGKSMRVTI-CYBMUJFWSA-N -1 3 287.262 1.621 10 0 CDAEHM O=C([O-])c1ccc(OCCN2CCCC2)c(F)c1 ZINC000054553581 526380979 /nfs/dbraw/zinc/38/09/79/526380979.db2.gz OCKXSYRHDISENJ-UHFFFAOYSA-N -1 3 253.273 1.999 10 0 CDAEHM O=C([O-])c1cccc(NC(=O)NCCN2CCCCC2)c1 ZINC000049575738 526391765 /nfs/dbraw/zinc/39/17/65/526391765.db2.gz VPUYKEBYHQWOBP-UHFFFAOYSA-N -1 3 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CDAEHM CC(C)(C)[C@H]1CCCN(C(=O)[C@@H](N)CC(=O)[O-])CC1 ZINC000085818279 179181426 /nfs/dbraw/zinc/18/14/26/179181426.db2.gz DNQZPBSKZCSHLU-QWRGUYRKSA-N -1 3 270.373 1.463 10 0 CDAEHM CC(=O)c1ccc(C(=O)NC(C)(C)[C@@H](C)O)cc1[O-] ZINC000613173026 347443764 /nfs/dbraw/zinc/44/37/64/347443764.db2.gz HQNIOTAWVFYQNV-SECBINFHSA-N -1 3 265.309 1.484 10 0 CDAEHM COc1nc(NC(=O)[C@@H](C)c2nc(C)cs2)n[n-]1 ZINC000613195216 347461452 /nfs/dbraw/zinc/46/14/52/347461452.db2.gz DBDWVBFRCHNSPY-ZCFIWIBFSA-N -1 3 267.314 1.320 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](C)c2nc(C)cs2)[n-]1 ZINC000613195216 347461455 /nfs/dbraw/zinc/46/14/55/347461455.db2.gz DBDWVBFRCHNSPY-ZCFIWIBFSA-N -1 3 267.314 1.320 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](C)c2nc(C)cs2)n1 ZINC000613195216 347461458 /nfs/dbraw/zinc/46/14/58/347461458.db2.gz DBDWVBFRCHNSPY-ZCFIWIBFSA-N -1 3 267.314 1.320 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)NCC(O)(C1CC1)C1CC1 ZINC000619023368 347665247 /nfs/dbraw/zinc/66/52/47/347665247.db2.gz XFKGBHLIKYYMIC-UHFFFAOYSA-N -1 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277.365 1.567 10 0 CDAEHM CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2csc(=O)[n-]2)C1 ZINC000620399106 350166388 /nfs/dbraw/zinc/16/63/88/350166388.db2.gz NIJJDBYYXQMDAQ-SECBINFHSA-N -1 3 297.380 1.226 10 0 CDAEHM CCCCCS(=O)(=O)[N-][C@@]1(C(=O)OC)CCSC1 ZINC000352942612 282689104 /nfs/dbraw/zinc/68/91/04/282689104.db2.gz OWSAIXHXDRLCKZ-NSHDSACASA-N -1 3 295.426 1.145 10 0 CDAEHM CO[C@@H](C(=O)N=c1cc(-c2cccnc2)[n-][nH]1)C1CCC1 ZINC000621788617 350783155 /nfs/dbraw/zinc/78/31/55/350783155.db2.gz JZLRJJNDHNTCAO-CQSZACIVSA-N -1 3 286.335 1.647 10 0 CDAEHM O=C(c1cc(F)c[n-]c1=O)N1CC2(C1)CCCOC2 ZINC000622054472 350956249 /nfs/dbraw/zinc/95/62/49/350956249.db2.gz BQKNSRFGOYTQKH-UHFFFAOYSA-N -1 3 266.272 1.179 10 0 CDAEHM CCO[C@H]1C[C@H](NC(=O)CCc2c(C)nc(C)[n-]c2=O)C1 ZINC000622146776 351036286 /nfs/dbraw/zinc/03/62/86/351036286.db2.gz BTHRFPJJQLZHDW-HAQNSBGRSA-N -1 3 293.367 1.415 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cc(F)c[n-]c2=O)C[C@@H](C)C1=O ZINC000622160449 351043032 /nfs/dbraw/zinc/04/30/32/351043032.db2.gz 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363417135 /nfs/dbraw/zinc/41/71/35/363417135.db2.gz IXLFEEPCNZWXNZ-JTQLQIEISA-N -1 3 278.399 1.234 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000629762309 363412764 /nfs/dbraw/zinc/41/27/64/363412764.db2.gz UTEWEYNYSLCZHN-CUOATXAZSA-N -1 3 277.320 1.386 10 0 CDAEHM Cc1cc([N-]C(=O)[C@H](C)Nc2cnn3c2CCCC3)on1 ZINC000634578513 356093844 /nfs/dbraw/zinc/09/38/44/356093844.db2.gz IVZHUSVHHJJCQC-JTQLQIEISA-N -1 3 289.339 1.955 10 0 CDAEHM O=C(NCc1ncc[nH]1)c1ccc2c(c1[O-])CCCC2 ZINC000273550047 192197226 /nfs/dbraw/zinc/19/72/26/192197226.db2.gz VDFUDMSGIXCZGF-UHFFFAOYSA-N -1 3 271.320 1.924 10 0 CDAEHM Cn1nccc1CNC(=O)c1cc([O-])ccc1Cl ZINC000236084128 140239192 /nfs/dbraw/zinc/23/91/92/140239192.db2.gz BGTFWPACZPEUNW-UHFFFAOYSA-N -1 3 265.700 1.709 10 0 CDAEHM CCCN(CCc1ccccn1)c1nc2nncc-2c(O)[n-]1 ZINC000277150925 366328380 /nfs/dbraw/zinc/32/83/80/366328380.db2.gz RIZGNPBUYZPQAO-UHFFFAOYSA-N -1 3 298.350 1.913 10 0 CDAEHM CC(C)N1CCC[C@@H](n2nnc3c2C[C@H](C(=O)[O-])CC3)C1 ZINC000584882976 356666900 /nfs/dbraw/zinc/66/69/00/356666900.db2.gz CKMOACCQBDMSIP-VXGBXAGGSA-N -1 3 292.383 1.513 10 0 CDAEHM CSCC(=O)Nc1nc(-c2cccc(Cl)c2)n[n-]1 ZINC000072288441 356742197 /nfs/dbraw/zinc/74/21/97/356742197.db2.gz WBXKROFQJPGAMY-UHFFFAOYSA-N -1 3 282.756 1.849 10 0 CDAEHM CCc1nc(C)c(CN2CCC(c3n[nH]c(=O)[n-]3)CC2)o1 ZINC000644690290 366377120 /nfs/dbraw/zinc/37/71/20/366377120.db2.gz WFPJUIDAYYQPHV-UHFFFAOYSA-N -1 3 291.355 1.749 10 0 CDAEHM C[C@H]1CN=C(C(=O)Nc2cc(Cl)ccc2[O-])N1 ZINC000256030351 357589097 /nfs/dbraw/zinc/58/90/97/357589097.db2.gz NEISKKMPYCNPNY-LURJTMIESA-N -1 3 253.689 1.374 10 0 CDAEHM COC(=O)Cc1n[n-]c(NC(=O)C(C)=CC(C)(C)C)n1 ZINC000186576134 357664529 /nfs/dbraw/zinc/66/45/29/357664529.db2.gz IIAGSMOZQATENR-BQYQJAHWSA-N -1 3 280.328 1.451 10 0 CDAEHM COC(=O)Cc1nnc(NC(=O)/C(C)=C/C(C)(C)C)[n-]1 ZINC000186576134 357664533 /nfs/dbraw/zinc/66/45/33/357664533.db2.gz IIAGSMOZQATENR-BQYQJAHWSA-N -1 3 280.328 1.451 10 0 CDAEHM COC(=O)Cc1nc(NC(=O)C(C)=CC(C)(C)C)n[n-]1 ZINC000186576134 357664539 /nfs/dbraw/zinc/66/45/39/357664539.db2.gz IIAGSMOZQATENR-BQYQJAHWSA-N -1 3 280.328 1.451 10 0 CDAEHM COc1nnc(NC(=O)CC(C)(C)CC(C)=O)[n-]1 ZINC000187841802 357814004 /nfs/dbraw/zinc/81/40/04/357814004.db2.gz MOHVNPNRYIVMHB-UHFFFAOYSA-N -1 3 254.290 1.147 10 0 CDAEHM COc1nc(NC(=O)CC(C)(C)CC(C)=O)n[n-]1 ZINC000187841802 357814007 /nfs/dbraw/zinc/81/40/07/357814007.db2.gz MOHVNPNRYIVMHB-UHFFFAOYSA-N -1 3 254.290 1.147 10 0 CDAEHM COc1n[n-]c(NC(=O)CC(C)(C)CC(C)=O)n1 ZINC000187841802 357814010 /nfs/dbraw/zinc/81/40/10/357814010.db2.gz MOHVNPNRYIVMHB-UHFFFAOYSA-N -1 3 254.290 1.147 10 0 CDAEHM CCn1c(C)nnc1CSc1ncc(C(=O)OC)[n-]1 ZINC000187590831 357783427 /nfs/dbraw/zinc/78/34/27/357783427.db2.gz KFVSLJOKDSZWNM-UHFFFAOYSA-N -1 3 281.341 1.408 10 0 CDAEHM O=S(=O)([N-]C[C@H]1CCC[C@@H]1O)c1cccs1 ZINC000084231924 358229461 /nfs/dbraw/zinc/22/94/61/358229461.db2.gz IRDDQJBSMYFHJD-BDAKNGLRSA-N -1 3 261.368 1.187 10 0 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C[C@H]1CCN(C(=O)[C@@H](N)Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000656855068 413741233 /nfs/dbraw/zinc/74/12/33/413741233.db2.gz VLMOTXDETSVMKF-UBHSHLNASA-N -1 3 290.363 1.126 10 0 CDAEHM O=C([O-])[C@H](C(=O)N1CCN2CCC1CC2)C1CCCC1 ZINC000663042234 413853504 /nfs/dbraw/zinc/85/35/04/413853504.db2.gz QGSLFHSPMCQWGX-ZDUSSCGKSA-N -1 3 280.368 1.184 10 0 CDAEHM C=C/C(C)=C/CC(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000655027294 413936018 /nfs/dbraw/zinc/93/60/18/413936018.db2.gz NPWUYCIGALHLMZ-ONNFQVAWSA-N -1 3 259.309 1.589 10 0 CDAEHM O=S(=O)([N-][C@H]1C[C@H](Oc2ccccc2)C1)c1c[nH]cn1 ZINC000657143707 413965278 /nfs/dbraw/zinc/96/52/78/413965278.db2.gz UBGAEJZBUMCRNR-UMSPYCQHSA-N -1 3 293.348 1.298 10 0 CDAEHM CCCn1c(=O)[n-]nc1SC[C@H](COC)OC ZINC000657232391 414054436 /nfs/dbraw/zinc/05/44/36/414054436.db2.gz YIDNNJDAWSLYRJ-QMMMGPOBSA-N -1 3 261.347 1.147 10 0 CDAEHM O=C([O-])c1cc(Cl)nc(N[C@@H]2CN3CCC2CC3)c1 ZINC000037373966 173163785 /nfs/dbraw/zinc/16/37/85/173163785.db2.gz WNLOZRVMOXWHPS-SNVBAGLBSA-N -1 3 281.743 1.939 10 0 CDAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CC2(CC2(F)F)C1 ZINC000655188080 414159978 /nfs/dbraw/zinc/15/99/78/414159978.db2.gz PACUSLXLFUJVJE-UHFFFAOYSA-N -1 3 282.225 1.578 10 0 CDAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CC2(CC2(F)F)C1 ZINC000655188080 414159985 /nfs/dbraw/zinc/15/99/85/414159985.db2.gz PACUSLXLFUJVJE-UHFFFAOYSA-N -1 3 282.225 1.578 10 0 CDAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CC2(CC2(F)F)C1 ZINC000655188080 414159994 /nfs/dbraw/zinc/15/99/94/414159994.db2.gz PACUSLXLFUJVJE-UHFFFAOYSA-N -1 3 282.225 1.578 10 0 CDAEHM C[C@@]1(CNC(=O)NCc2ncccc2[O-])CC1(F)F ZINC000661816156 414381432 /nfs/dbraw/zinc/38/14/32/414381432.db2.gz CLNRBSISAJALKI-NSHDSACASA-N -1 3 271.267 1.632 10 0 CDAEHM O=c1cc(CN[C@@H]2C[C@H](O)C23CCC3)nc(C2CC2)[n-]1 ZINC000661827335 414386828 /nfs/dbraw/zinc/38/68/28/414386828.db2.gz NCJPKJUZSXYTIV-NEPJUHHUSA-N -1 3 275.352 1.453 10 0 CDAEHM O=c1cc(CN2CCc3nccnc3C2)nc(C2CC2)[n-]1 ZINC000662119547 414519883 /nfs/dbraw/zinc/51/98/83/414519883.db2.gz RQKRIMVPZBVBPV-UHFFFAOYSA-N -1 3 283.335 1.408 10 0 CDAEHM Cc1cc(=O)[n-]c([C@H](C)N2CCc3nccnc3C2)n1 ZINC000662120780 414522090 /nfs/dbraw/zinc/52/20/90/414522090.db2.gz HVQPGKJOQRAQPE-JTQLQIEISA-N -1 3 271.324 1.400 10 0 CDAEHM C[C@@H](CN(C)[C@@H]1CCN(CC(=O)[O-])C1=O)c1ccccc1 ZINC000662203445 414561056 /nfs/dbraw/zinc/56/10/56/414561056.db2.gz DUGPJDQHVBRVJT-GXTWGEPZSA-N -1 3 290.363 1.407 10 0 CDAEHM CCC(CC)(CC(=O)NC[C@H](C)N(C)C)C(=O)[O-] ZINC000038087286 174098650 /nfs/dbraw/zinc/09/86/50/174098650.db2.gz WTHYYRDLXANSJA-JTQLQIEISA-N -1 3 258.362 1.334 10 0 CDAEHM CCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(N)=S ZINC000040363583 174247475 /nfs/dbraw/zinc/24/74/75/174247475.db2.gz HGHQXJVTHDQWAG-SECBINFHSA-N -1 3 290.385 1.559 10 0 CDAEHM Cc1cc(C(=O)[N-]c2cc(S(N)(=O)=O)ccc2F)no1 ZINC000040381577 174250770 /nfs/dbraw/zinc/25/07/70/174250770.db2.gz XFDFZHGVFJANBQ-UHFFFAOYSA-N -1 3 299.283 1.022 10 0 CDAEHM O=C([O-])c1cc(F)ccc1NC(=O)[C@@H]1CCCCN1 ZINC000040479896 174284352 /nfs/dbraw/zinc/28/43/52/174284352.db2.gz DFLCBICCFGCYNJ-NSHDSACASA-N -1 3 266.272 1.605 10 0 CDAEHM CCC[C@@H](N)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000040481804 174285872 /nfs/dbraw/zinc/28/58/72/174285872.db2.gz CCBXTSQHEZRWLK-SNVBAGLBSA-N -1 3 256.346 1.408 10 0 CDAEHM CCC[C@@H](N)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000040486694 174288981 /nfs/dbraw/zinc/28/89/81/174288981.db2.gz UANBDJIIWRYDMI-MNOVXSKESA-N -1 3 256.346 1.264 10 0 CDAEHM CCN1CCC[C@@H](NC(=O)CC2(C(=O)[O-])CCCC2)C1 ZINC000040503030 174299706 /nfs/dbraw/zinc/29/97/06/174299706.db2.gz CRBZYIHGSBUDLH-GFCCVEGCSA-N -1 3 282.384 1.622 10 0 CDAEHM CC(C)C[C@@H](NC(=O)N(C)C1CCN(C)CC1)C(=O)[O-] ZINC000040549438 174326541 /nfs/dbraw/zinc/32/65/41/174326541.db2.gz HMIZIDMSDPUWFI-GFCCVEGCSA-N -1 3 285.388 1.221 10 0 CDAEHM CN(C(=O)N1CCCC[C@H]1CC(=O)[O-])C1CCN(C)CC1 ZINC000040549578 174326878 /nfs/dbraw/zinc/32/68/78/174326878.db2.gz ACPHMSRSKKNPAV-ZDUSSCGKSA-N -1 3 297.399 1.462 10 0 CDAEHM O=C([O-])CCCCCCNC(=O)N[C@@H]1CN2CCC1CC2 ZINC000040551265 174328213 /nfs/dbraw/zinc/32/82/13/174328213.db2.gz CIQJKTBGYOHCMU-CYBMUJFWSA-N -1 3 297.399 1.415 10 0 CDAEHM CCC[C@@](C)(NC(=O)N[C@@H]1CN2CCC1CC2)C(=O)[O-] ZINC000040551300 174328271 /nfs/dbraw/zinc/32/82/71/174328271.db2.gz WXYPRYXAZJBJTJ-BXUZGUMPSA-N -1 3 283.372 1.023 10 0 CDAEHM O=C([O-])c1ccc(NC(=O)N[C@H]2CN3CCC2CC3)cc1 ZINC000040551252 174328303 /nfs/dbraw/zinc/32/83/03/174328303.db2.gz KFOOOFVQMMMIAA-ZDUSSCGKSA-N -1 3 289.335 1.601 10 0 CDAEHM CN1CCC(NC(=O)Nc2ccc(O)c(C(=O)[O-])c2)CC1 ZINC000040573602 174339886 /nfs/dbraw/zinc/33/98/86/174339886.db2.gz HFRHSBMJSNOCRL-UHFFFAOYSA-N -1 3 293.323 1.306 10 0 CDAEHM CN1CCC[C@@H](NC(=O)Nc2cccc(F)c2C(=O)[O-])C1 ZINC000040716375 174383736 /nfs/dbraw/zinc/38/37/36/174383736.db2.gz XEKJBMAVFOQSHW-SECBINFHSA-N -1 3 295.314 1.740 10 0 CDAEHM Cc1ccc2cccc(Nc3nc[n-]c(=O)c3N)c2n1 ZINC000040758702 174396780 /nfs/dbraw/zinc/39/67/80/174396780.db2.gz DMAACVPCOYLOMP-UHFFFAOYSA-N -1 3 267.292 1.952 10 0 CDAEHM CC(C)C[C@@H](N)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000043594668 175075557 /nfs/dbraw/zinc/07/55/57/175075557.db2.gz CBRVZVHUUSELHU-ZIAGYGMSSA-N -1 3 290.363 1.570 10 0 CDAEHM CC[C@H](C(=O)[O-])N(C)C(=O)C[C@H](N)c1ccccc1 ZINC000044625196 175221305 /nfs/dbraw/zinc/22/13/05/175221305.db2.gz QSXYGXBQMRVQLE-NWDGAFQWSA-N -1 3 264.325 1.398 10 0 CDAEHM COCCCC[N-]S(=O)(=O)c1cc(N)c(F)cc1F ZINC000044655865 175225466 /nfs/dbraw/zinc/22/54/66/175225466.db2.gz MPJYVVZMEMULBK-UHFFFAOYSA-N -1 3 294.323 1.252 10 0 CDAEHM C[C@H](CNC(=O)N(C)C[C@H](C)C(=O)[O-])N1CCCCC1 ZINC000045013506 175290531 /nfs/dbraw/zinc/29/05/31/175290531.db2.gz HUTRUDKQTQWGQP-NWDGAFQWSA-N -1 3 285.388 1.223 10 0 CDAEHM Cc1cccc(C(=O)[O-])c1NC(=O)NC[C@H](C)N(C)C ZINC000045112065 175310472 /nfs/dbraw/zinc/31/04/72/175310472.db2.gz VCZYGDJELKIQFU-JTQLQIEISA-N -1 3 279.340 1.765 10 0 CDAEHM COc1ccc([O-])c(C(=O)NCCc2nccn2C)c1 ZINC000045137386 175314857 /nfs/dbraw/zinc/31/48/57/175314857.db2.gz PMVIUDMHYBPONY-UHFFFAOYSA-N -1 3 275.308 1.107 10 0 CDAEHM Cc1cccc(NC(=O)N2CCCN(C)CC2)c1C(=O)[O-] ZINC000071171759 176052036 /nfs/dbraw/zinc/05/20/36/176052036.db2.gz ITVWXWAAJLDJIB-UHFFFAOYSA-N -1 3 291.351 1.863 10 0 CDAEHM O=C(Nc1ccc2c(c1)CCCN2)c1cc(=O)[n-]c(=O)[nH]1 ZINC000071214803 176086123 /nfs/dbraw/zinc/08/61/23/176086123.db2.gz JKAVIMKOPHVCTE-UHFFFAOYSA-N -1 3 286.291 1.086 10 0 CDAEHM CC(C)NCC(=O)Nc1ccc(C(=O)[O-])cc1Cl ZINC000071392039 176149058 /nfs/dbraw/zinc/14/90/58/176149058.db2.gz FPPSSESJJGARMT-UHFFFAOYSA-N -1 3 270.716 1.975 10 0 CDAEHM CC[C@@H]1[C@H](CO)CCN1C(=O)c1cccc(OC)c1[O-] ZINC000331322193 287369758 /nfs/dbraw/zinc/36/97/58/287369758.db2.gz MDHGLDQHGCURMR-CMPLNLGQSA-N -1 3 279.336 1.634 10 0 CDAEHM C[C@@H]1CCC[C@H](C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)C1 ZINC000195021470 287432082 /nfs/dbraw/zinc/43/20/82/287432082.db2.gz DZRNYTVEUDMRKS-JRPNMDOOSA-N -1 3 293.367 1.013 10 0 CDAEHM COc1cc(=NC(=O)Cc2cccs2)[n-]n1C ZINC000548144085 289850195 /nfs/dbraw/zinc/85/01/95/289850195.db2.gz QWVGKRJAZYUXDS-UHFFFAOYSA-N -1 3 251.311 1.093 10 0 CDAEHM CCc1cc(CNC(=O)c2cccc(OC)c2[O-])on1 ZINC000525486399 260194281 /nfs/dbraw/zinc/19/42/81/260194281.db2.gz RYDRTPCOSHCFLX-UHFFFAOYSA-N -1 3 276.292 1.881 10 0 CDAEHM COCc1ccc(C[N-]S(=O)(=O)c2cscn2)cc1 ZINC000518368579 260385810 /nfs/dbraw/zinc/38/58/10/260385810.db2.gz XRDGUMPHFIEIJZ-UHFFFAOYSA-N -1 3 298.389 1.768 10 0 CDAEHM O=C(NCc1ncccc1[O-])N[C@@H]1CNc2ccccc2C1 ZINC000652253624 424134349 /nfs/dbraw/zinc/13/43/49/424134349.db2.gz PFJBNXSPUDLKSM-LBPRGKRZSA-N -1 3 298.346 1.623 10 0 CDAEHM O=C(COC1CCCC1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000519257530 265380002 /nfs/dbraw/zinc/38/00/02/265380002.db2.gz ILFZARMDRJOQDA-LBPRGKRZSA-N -1 3 279.340 1.581 10 0 CDAEHM CC[C@@H]([N-]S(=O)(=O)c1ccco1)[C@@H]1CCCCO1 ZINC000655666339 424331883 /nfs/dbraw/zinc/33/18/83/424331883.db2.gz MPHURZOSVUSPRD-MNOVXSKESA-N -1 3 273.354 1.906 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1cn(C)cn1)[C@H]1CCCCO1 ZINC000655666748 424332803 /nfs/dbraw/zinc/33/28/03/424332803.db2.gz RPFUITFUFZDBMG-WDEREUQCSA-N -1 3 287.385 1.046 10 0 CDAEHM Cc1ccc(CN2CCC(c3n[nH]c(=O)[n-]3)CC2)cn1 ZINC000653651777 424395245 /nfs/dbraw/zinc/39/52/45/424395245.db2.gz YQCOUIQSKNAJSE-UHFFFAOYSA-N -1 3 273.340 1.593 10 0 CDAEHM CC(C)[C@@H]1C[C@H]1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000527256686 270682279 /nfs/dbraw/zinc/68/22/79/270682279.db2.gz XFUOEAXGCWPGLS-VHSXEESVSA-N -1 3 261.325 1.359 10 0 CDAEHM CN(Cc1cnc(C(=O)[O-])cn1)C1Cc2ccccc2C1 ZINC000530160467 271118770 /nfs/dbraw/zinc/11/87/70/271118770.db2.gz CFVNQKIZUOWCHN-UHFFFAOYSA-N -1 3 283.331 1.774 10 0 CDAEHM CCC[C@H](O)CN1CCc2occc2[C@H]1C(=O)[O-] ZINC000530166453 271122101 /nfs/dbraw/zinc/12/21/01/271122101.db2.gz NCZGCMRDTVJRBV-CABZTGNLSA-N -1 3 253.298 1.424 10 0 CDAEHM CO[C@@]1(C(=O)[O-])CCN(Cc2cc(C)ccc2F)C1 ZINC000530169444 271126316 /nfs/dbraw/zinc/12/63/16/271126316.db2.gz HYVGROGNSPTKQQ-AWEZNQCLSA-N -1 3 267.300 1.810 10 0 CDAEHM CO[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])CC[C@@H]1C ZINC000187696446 277298915 /nfs/dbraw/zinc/29/89/15/277298915.db2.gz AOZYXPGXJWZPED-TVQRCGJNSA-N -1 3 265.309 1.595 10 0 CDAEHM COC(=O)c1coc(C(=O)[N-]c2nnc3n2CCCC3)c1 ZINC000128771084 277450339 /nfs/dbraw/zinc/45/03/39/277450339.db2.gz GSDBFXMLIYTXHC-UHFFFAOYSA-N -1 3 290.279 1.246 10 0 CDAEHM COc1nc(NC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)n[n-]1 ZINC000435808494 278079217 /nfs/dbraw/zinc/07/92/17/278079217.db2.gz MVEWWTCSQPPLHL-FBIMIBRVSA-N -1 3 272.308 1.802 10 0 CDAEHM COc1nnc(NC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)[n-]1 ZINC000435808494 278079219 /nfs/dbraw/zinc/07/92/19/278079219.db2.gz MVEWWTCSQPPLHL-FBIMIBRVSA-N -1 3 272.308 1.802 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)n1 ZINC000435808494 278079220 /nfs/dbraw/zinc/07/92/20/278079220.db2.gz MVEWWTCSQPPLHL-FBIMIBRVSA-N -1 3 272.308 1.802 10 0 CDAEHM CSc1nnc(NC(=O)c2cccc3nccnc32)[n-]1 ZINC000348733098 278177969 /nfs/dbraw/zinc/17/79/69/278177969.db2.gz AOUFESIXFPMPFK-UHFFFAOYSA-N -1 3 286.320 1.722 10 0 CDAEHM CSc1n[n-]c(NC(=O)c2cccc3nccnc32)n1 ZINC000348733098 278177971 /nfs/dbraw/zinc/17/79/71/278177971.db2.gz AOUFESIXFPMPFK-UHFFFAOYSA-N -1 3 286.320 1.722 10 0 CDAEHM CSc1nc(NC(=O)c2cccc3nccnc32)n[n-]1 ZINC000348733098 278177973 /nfs/dbraw/zinc/17/79/73/278177973.db2.gz AOUFESIXFPMPFK-UHFFFAOYSA-N -1 3 286.320 1.722 10 0 CDAEHM C[C@@H]1OCC[C@@]12CN(C(=O)c1cccc([O-])c1)CCO2 ZINC000280219364 279049112 /nfs/dbraw/zinc/04/91/12/279049112.db2.gz WYQCXNPRWMDEHZ-XHDPSFHLSA-N -1 3 277.320 1.412 10 0 CDAEHM CC(C)C[C@H]1CCCCCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000154978438 279203754 /nfs/dbraw/zinc/20/37/54/279203754.db2.gz CLOPGMNFJXMBSL-GFCCVEGCSA-N -1 3 295.383 1.356 10 0 CDAEHM Cc1nccn1-c1ccc([C@H](C)NC(=O)c2c[n-]nn2)cc1 ZINC000119329868 279361448 /nfs/dbraw/zinc/36/14/48/279361448.db2.gz QWFOEYMIFCSVPU-JTQLQIEISA-N -1 3 296.334 1.790 10 0 CDAEHM Cc1nccn1-c1ccc([C@H](C)NC(=O)c2cnn[n-]2)cc1 ZINC000119329868 279361450 /nfs/dbraw/zinc/36/14/50/279361450.db2.gz QWFOEYMIFCSVPU-JTQLQIEISA-N -1 3 296.334 1.790 10 0 CDAEHM Cc1nccn1-c1ccc([C@H](C)NC(=O)c2cn[n-]n2)cc1 ZINC000119329868 279361452 /nfs/dbraw/zinc/36/14/52/279361452.db2.gz QWFOEYMIFCSVPU-JTQLQIEISA-N -1 3 296.334 1.790 10 0 CDAEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cncc(F)c1 ZINC000120696511 279389334 /nfs/dbraw/zinc/38/93/34/279389334.db2.gz ZIYRSGBIIDSZFV-UHFFFAOYSA-N -1 3 298.281 1.577 10 0 CDAEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cncc(F)c1 ZINC000120696511 279389338 /nfs/dbraw/zinc/38/93/38/279389338.db2.gz ZIYRSGBIIDSZFV-UHFFFAOYSA-N -1 3 298.281 1.577 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1scnc1C1CC1 ZINC000131131345 279665039 /nfs/dbraw/zinc/66/50/39/279665039.db2.gz MXCBPNKPHJWSQD-UHFFFAOYSA-N -1 3 292.320 1.782 10 0 CDAEHM COc1cc(=NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)[n-]n1C ZINC000520739715 281048827 /nfs/dbraw/zinc/04/88/27/281048827.db2.gz IBOFOELSJJVPKS-PHIMTYICSA-N -1 3 278.356 1.505 10 0 CDAEHM CC(C)SCC(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000523775694 281100563 /nfs/dbraw/zinc/10/05/63/281100563.db2.gz 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298.343 1.366 10 0 CDAEHM O=C([O-])C1(O)CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000563892226 316392729 /nfs/dbraw/zinc/39/27/29/316392729.db2.gz OFPFQRPJHQYBIE-UHFFFAOYSA-N -1 3 299.754 1.630 10 0 CDAEHM CCOC(=O)C[C@H](O)C(=O)Nc1c([O-])cccc1Cl ZINC000563971695 316408982 /nfs/dbraw/zinc/40/89/82/316408982.db2.gz ISXBRTWOXWPSEH-VIFPVBQESA-N -1 3 287.699 1.298 10 0 CDAEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cscn2)n1 ZINC000566160654 316497166 /nfs/dbraw/zinc/49/71/66/316497166.db2.gz BHLOQZUAPBHFCR-ZETCQYMHSA-N -1 3 289.407 1.948 10 0 CDAEHM Cn1cc(NC(=O)Cc2cncc([O-])c2)c(C2CC2)n1 ZINC000575762195 317010813 /nfs/dbraw/zinc/01/08/13/317010813.db2.gz KQPNPRNIDJHRLL-UHFFFAOYSA-N -1 3 272.308 1.579 10 0 CDAEHM CCN1CCCC[C@@H]1CN=c1[n-]c(C2CCOCC2)no1 ZINC000576326465 317116890 /nfs/dbraw/zinc/11/68/90/317116890.db2.gz AAPULWFTOMAXHG-CYBMUJFWSA-N -1 3 294.399 1.672 10 0 CDAEHM CC1=C[C@H](C)CN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000576455064 317141053 /nfs/dbraw/zinc/14/10/53/317141053.db2.gz IJPLWVGORPWICL-VIFPVBQESA-N 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C[C@H](NCc1nnnn1CC1CC1)c1cc([O-])cc(F)c1 ZINC000926198238 848962385 /nfs/dbraw/zinc/96/23/85/848962385.db2.gz JYOSSYVCHXKCAK-VIFPVBQESA-N -1 3 291.330 1.779 10 0 CDAEHM CS(=O)(=O)[N-]c1ccccc1NC(=O)C1(F)CC1 ZINC000843760070 849277517 /nfs/dbraw/zinc/27/75/17/849277517.db2.gz UPBOZRXJGIDKJX-UHFFFAOYSA-N -1 3 272.301 1.499 10 0 CDAEHM CC(C)(C)OC(=O)CCCCC(=O)[N-]OC(C)(C)CO ZINC000848164855 849376705 /nfs/dbraw/zinc/37/67/05/849376705.db2.gz RRLBBJCGBOQBGO-UHFFFAOYSA-N -1 3 289.372 1.707 10 0 CDAEHM Cn1ccc(CO[N-]C(=O)CCOc2ccccc2)n1 ZINC000778593077 849404720 /nfs/dbraw/zinc/40/47/20/849404720.db2.gz USCMAKYJGZNSPI-UHFFFAOYSA-N -1 3 275.308 1.437 10 0 CDAEHM O=C(N[C@H](CO)C1CCC1)c1cc2c(cc1[O-])OCO2 ZINC000855263907 849427858 /nfs/dbraw/zinc/42/78/58/849427858.db2.gz HSZMAEBAKDUTRD-SNVBAGLBSA-N -1 3 279.292 1.012 10 0 CDAEHM CCOC(=O)C(C)(C)O[N-]C(=O)/C=C\c1cccnc1C ZINC000855132961 849446338 /nfs/dbraw/zinc/44/63/38/849446338.db2.gz LIXSTBYULOUOHE-HJWRWDBZSA-N -1 3 292.335 1.793 10 0 CDAEHM O=C(NCc1ncccc1[O-])[C@H](F)Cc1ccccc1 ZINC000792610892 849492797 /nfs/dbraw/zinc/49/27/97/849492797.db2.gz CDTLFPSTGDTPIK-GFCCVEGCSA-N -1 3 274.295 1.984 10 0 CDAEHM CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000132754593 849584336 /nfs/dbraw/zinc/58/43/36/849584336.db2.gz MANBTDFCCLRZAT-LLVKDONJSA-N -1 3 298.339 1.069 10 0 CDAEHM CC(C)(O)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783345610 849700524 /nfs/dbraw/zinc/70/05/24/849700524.db2.gz VSCVSPBEKLKKIB-UHFFFAOYSA-N -1 3 278.264 1.256 10 0 CDAEHM Cc1nocc1S(=O)(=O)[N-]C[C@]12C[C@H]1CCC2 ZINC000921920199 849846649 /nfs/dbraw/zinc/84/66/49/849846649.db2.gz HVLWTUZWLUCVSC-KOLCDFICSA-N -1 3 256.327 1.452 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)nn1 ZINC000867350907 849859185 /nfs/dbraw/zinc/85/91/85/849859185.db2.gz UMQWVKXUBTXJCY-VIFPVBQESA-N -1 3 291.323 1.499 10 0 CDAEHM COC[C@@H](COC(=O)Cc1ccc([O-])c(F)c1)OC ZINC000849795497 849936451 /nfs/dbraw/zinc/93/64/51/849936451.db2.gz CNNAWUUMDLODQS-JTQLQIEISA-N -1 3 272.272 1.278 10 0 CDAEHM COCCCO[N-]C(=O)Cc1cccc2cnccc21 ZINC000861696795 849958121 /nfs/dbraw/zinc/95/81/21/849958121.db2.gz PIWUUSDRJQVBOI-UHFFFAOYSA-N -1 3 274.320 1.862 10 0 CDAEHM COC(=O)CC[C@@H](N)c1nc(-c2ccc([O-])cc2F)no1 ZINC000823069630 850140963 /nfs/dbraw/zinc/14/09/63/850140963.db2.gz QYPDPZNVBKEULA-SNVBAGLBSA-N -1 3 295.270 1.534 10 0 CDAEHM CC(=O)CCC(C)(C)C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000880514986 850177688 /nfs/dbraw/zinc/17/76/88/850177688.db2.gz GVHQDVBUJFQPOY-UHFFFAOYSA-N -1 3 297.380 1.483 10 0 CDAEHM O=c1c(F)c(C(F)(F)F)[n-]n1CCN1CCCCC1 ZINC000871946365 850398898 /nfs/dbraw/zinc/39/88/98/850398898.db2.gz ROMDHZWCCLGLFA-MRVPVSSYSA-N -1 3 281.253 1.571 10 0 CDAEHM O=C(NC[C@@H]1CC[C@H](C2CC2)O1)c1ccc(O)cc1[O-] ZINC000722318004 850460393 /nfs/dbraw/zinc/46/03/93/850460393.db2.gz XACSBZMIZHCXPJ-SMDDNHRTSA-N -1 3 277.320 1.785 10 0 CDAEHM CCOc1nnc(NC(=O)[C@H](C)C(=O)OC(C)(C)C)[n-]1 ZINC001174746045 913330711 /nfs/dbraw/zinc/33/07/11/913330711.db2.gz YUDVJJPIOWZYPM-ZETCQYMHSA-N -1 3 284.316 1.120 10 0 CDAEHM CCOc1nc(NC(=O)[C@H](C)C(=O)OC(C)(C)C)n[n-]1 ZINC001174746045 913330722 /nfs/dbraw/zinc/33/07/22/913330722.db2.gz YUDVJJPIOWZYPM-ZETCQYMHSA-N -1 3 284.316 1.120 10 0 CDAEHM CCOc1n[n-]c(NC(=O)[C@H](C)C(=O)OC(C)(C)C)n1 ZINC001174746045 913330743 /nfs/dbraw/zinc/33/07/43/913330743.db2.gz YUDVJJPIOWZYPM-ZETCQYMHSA-N -1 3 284.316 1.120 10 0 CDAEHM O=C(c1ccc(Cl)cc1[O-])N1CC(N2CCCC2)C1 ZINC000697801924 909254506 /nfs/dbraw/zinc/25/45/06/909254506.db2.gz YRSYFYFWCGVTKC-UHFFFAOYSA-N -1 3 280.755 1.966 10 0 CDAEHM COC(=O)/C=C/[C@H](C)NC(=O)c1c(C)cccc1[O-] ZINC001124095064 915048418 /nfs/dbraw/zinc/04/84/18/915048418.db2.gz NXQRPQDCNLLYCV-JARNTUPDSA-N -1 3 263.293 1.548 10 0 CDAEHM CC[C@H]([N-]S(=O)(=O)c1cccnc1F)C1CC1 ZINC000401839736 937148995 /nfs/dbraw/zinc/14/89/95/937148995.db2.gz QLLWRLRYNXOOJR-VIFPVBQESA-N -1 3 258.318 1.688 10 0 CDAEHM CC1(C)CC[C@@H](CNCc2cccc(C(=O)[O-])n2)O1 ZINC000691935737 937223291 /nfs/dbraw/zinc/22/32/91/937223291.db2.gz 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/nfs/dbraw/zinc/66/22/62/937662262.db2.gz BRIDTCCXTWERRG-MYJAWHEDSA-N -1 3 259.309 1.113 10 0 CDAEHM C[C@H]([N-]C(=O)C(F)(F)C1CCOCC1)C(F)F ZINC001119507478 937726439 /nfs/dbraw/zinc/72/64/39/937726439.db2.gz KGBILNQXGUMJSC-LURJTMIESA-N -1 3 257.227 1.818 10 0 CDAEHM CO[C@@H]1CC[C@H](C)N(Cc2ccoc2C(=O)[O-])C1 ZINC000687194666 934252801 /nfs/dbraw/zinc/25/28/01/934252801.db2.gz GQGBJKUTPUAKAC-GXSJLCMTSA-N -1 3 253.298 1.977 10 0 CDAEHM Cc1cnc(C(=O)NCCN2CCCC(C)(C)C2)c([O-])c1 ZINC001412883353 935074283 /nfs/dbraw/zinc/07/42/83/935074283.db2.gz ROIJAEAESKSMAS-UHFFFAOYSA-N -1 3 291.395 1.947 10 0 CDAEHM O=C(c1ccc([O-])cn1)N1CCc2nc[nH]c2C12CCC2 ZINC001413506926 936109896 /nfs/dbraw/zinc/10/98/96/936109896.db2.gz HNRAHOVMLTWIOR-UHFFFAOYSA-N -1 3 284.319 1.588 10 0 CDAEHM O=c1[n-]c(C2CC2)nc2c1CN(CC[C@H]1CCCO1)C2 ZINC001473766964 970848049 /nfs/dbraw/zinc/84/80/49/970848049.db2.gz YUVDWWDLVCTKIV-LLVKDONJSA-N -1 3 275.352 1.944 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCCc1ccccn1 ZINC001362080644 970859094 /nfs/dbraw/zinc/85/90/94/970859094.db2.gz XZBCNGRQSNAOGE-CYBMUJFWSA-N -1 3 288.351 1.033 10 0 CDAEHM CC(C)=CC(=O)N(C)CC(C)(C)CNCc1n[nH]c(=O)[n-]1 ZINC001282280201 942685441 /nfs/dbraw/zinc/68/54/41/942685441.db2.gz QIEFFOSDKAYIOW-UHFFFAOYSA-N -1 3 295.387 1.051 10 0 CDAEHM CC(C)[C@@H](C)C(=O)N[C@H](C)CCCNCc1n[nH]c(=O)[n-]1 ZINC001283249784 942867118 /nfs/dbraw/zinc/86/71/18/942867118.db2.gz XUVHVDVGLRYKJY-GHMZBOCLSA-N -1 3 297.403 1.177 10 0 CDAEHM O=C(Nc1cccc([O-])c1F)C1=C2CCCN=C2NN1 ZINC001362150796 970948559 /nfs/dbraw/zinc/94/85/59/970948559.db2.gz AJAAUDCPCCNNRS-UHFFFAOYSA-N -1 3 276.271 1.024 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](F)Cc1ccccc1 ZINC001362244226 971064113 /nfs/dbraw/zinc/06/41/13/971064113.db2.gz YFLFMZZDSBRARV-CHWSQXEVSA-N -1 3 291.326 1.195 10 0 CDAEHM CC[C@H](CNC(=O)c1cnncc1[O-])C(=O)OC(C)(C)C ZINC001363569687 953469057 /nfs/dbraw/zinc/46/90/57/953469057.db2.gz KZPJVFFNJXIODT-SECBINFHSA-N -1 3 295.339 1.280 10 0 CDAEHM C[C@H](NC(=O)Cc1ccoc1)c1nc(C(F)(F)F)n[n-]1 ZINC001363663304 953620280 /nfs/dbraw/zinc/62/02/80/953620280.db2.gz YUALKWUPUJHNCS-LURJTMIESA-N -1 3 288.229 1.836 10 0 CDAEHM Cc1nc(C)c(CNCCc2nc(C(=O)[O-])cs2)o1 ZINC001334793076 954286045 /nfs/dbraw/zinc/28/60/45/954286045.db2.gz ILBRWRQRGYODNF-UHFFFAOYSA-N -1 3 281.337 1.778 10 0 CDAEHM Cc1cc(NCc2cc(=O)[n-]c(C3CC3)n2)nc(CO)n1 ZINC001364251223 954387693 /nfs/dbraw/zinc/38/76/93/954387693.db2.gz ODAAHJWUAHFQPI-UHFFFAOYSA-N -1 3 287.323 1.262 10 0 CDAEHM CO[C@H](COC(=O)c1cncc([O-])c1)C1CCC1 ZINC001327086896 954697599 /nfs/dbraw/zinc/69/75/99/954697599.db2.gz XLAZVJJCXVFQRE-GFCCVEGCSA-N -1 3 251.282 1.759 10 0 CDAEHM Clc1cnc(CN2CCC(Cc3nnn[n-]3)CC2)cn1 ZINC001364516699 954726954 /nfs/dbraw/zinc/72/69/54/954726954.db2.gz WMLWRYCYJNVRRJ-UHFFFAOYSA-N -1 3 293.762 1.098 10 0 CDAEHM Clc1cnc(CN2CCC(Cc3nn[n-]n3)CC2)cn1 ZINC001364516699 954726963 /nfs/dbraw/zinc/72/69/63/954726963.db2.gz WMLWRYCYJNVRRJ-UHFFFAOYSA-N -1 3 293.762 1.098 10 0 CDAEHM CCOC(=O)c1ccc(NC(=O)c2nc[nH]c2C)c([O-])c1 ZINC001295836078 954757824 /nfs/dbraw/zinc/75/78/24/954757824.db2.gz BAFRBXPCRZEOGH-UHFFFAOYSA-N -1 3 289.291 1.853 10 0 CDAEHM CCOc1nnc(NC(=O)C[C@](C)(O)c2ccccc2)[n-]1 ZINC001363274176 972041078 /nfs/dbraw/zinc/04/10/78/972041078.db2.gz WNLCIKNGYRMCKO-AWEZNQCLSA-N -1 3 290.323 1.440 10 0 CDAEHM CCOc1nc(NC(=O)C[C@](C)(O)c2ccccc2)n[n-]1 ZINC001363274176 972041085 /nfs/dbraw/zinc/04/10/85/972041085.db2.gz WNLCIKNGYRMCKO-AWEZNQCLSA-N -1 3 290.323 1.440 10 0 CDAEHM CCOc1n[n-]c(NC(=O)C[C@](C)(O)c2ccccc2)n1 ZINC001363274176 972041092 /nfs/dbraw/zinc/04/10/92/972041092.db2.gz WNLCIKNGYRMCKO-AWEZNQCLSA-N -1 3 290.323 1.440 10 0 CDAEHM CCOc1nnc(NC(=O)c2ccnc(OC(C)C)c2)[n-]1 ZINC001363273225 972041317 /nfs/dbraw/zinc/04/13/17/972041317.db2.gz SBURRHMFVHSTJA-UHFFFAOYSA-N -1 3 291.311 1.638 10 0 CDAEHM CCOc1nc(NC(=O)c2ccnc(OC(C)C)c2)n[n-]1 ZINC001363273225 972041319 /nfs/dbraw/zinc/04/13/19/972041319.db2.gz SBURRHMFVHSTJA-UHFFFAOYSA-N -1 3 291.311 1.638 10 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10 0 CDAEHM C[C@H](NC(=O)NCC1(C(=O)[O-])CCC1)C1=CCN(C)CC1 ZINC001333525361 958399700 /nfs/dbraw/zinc/39/97/00/958399700.db2.gz XZMJADQWZOYIOG-NSHDSACASA-N -1 3 295.383 1.191 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc2ccncc21 ZINC001433718969 960556054 /nfs/dbraw/zinc/55/60/54/960556054.db2.gz CSJQFIOGWURALE-GFCCVEGCSA-N -1 3 296.330 1.477 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc2cccnc2c1 ZINC001433736385 960568344 /nfs/dbraw/zinc/56/83/44/960568344.db2.gz VYTJNPJGABGSHM-ZDUSSCGKSA-N -1 3 296.330 1.477 10 0 CDAEHM CO[C@@H](CNC(=O)c1cnncc1[O-])c1ccc(F)cc1 ZINC001433738526 960570278 /nfs/dbraw/zinc/57/02/78/960570278.db2.gz QOXGQDJDSAHWQC-ZDUSSCGKSA-N -1 3 291.282 1.439 10 0 CDAEHM Cc1cc(=O)[n-]c(CNC(=O)Cc2cc(C3CC3)no2)n1 ZINC001434144442 961025553 /nfs/dbraw/zinc/02/55/53/961025553.db2.gz AQCFMMIWHYTBHA-UHFFFAOYSA-N -1 3 288.307 1.215 10 0 CDAEHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)O)nc21 ZINC001434411987 961329381 /nfs/dbraw/zinc/32/93/81/961329381.db2.gz XMXLKUWFORXMCC-ZETCQYMHSA-N 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299.277 1.214 10 0 CDAEHM CCc1ccc(CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)o1 ZINC000193472084 342473253 /nfs/dbraw/zinc/47/32/53/342473253.db2.gz UMOUDFZJWSXOLM-CQSZACIVSA-N -1 3 277.324 1.016 10 0 CDAEHM CSc1ccc([O-])c(C(=O)N[C@H]2C[C@@](C)(O)C2)c1 ZINC000616339896 341988639 /nfs/dbraw/zinc/98/86/39/341988639.db2.gz VJYKKXQMOLUBTN-KTLJEJPDSA-N -1 3 267.350 1.757 10 0 CDAEHM N[C@@H](C(=O)[O-])[C@H](O)c1ccc(Cl)cc1Br ZINC000126844131 341996359 /nfs/dbraw/zinc/99/63/59/341996359.db2.gz GEDVJMNCGFYMJE-HTQZYQBOSA-N -1 3 294.532 1.548 10 0 CDAEHM CC[C@H](CO)N1CCN(C(=O)c2c(C)cccc2[O-])CC1 ZINC000626209300 342535876 /nfs/dbraw/zinc/53/58/76/342535876.db2.gz OESMUYJYDQORSP-CYBMUJFWSA-N -1 3 292.379 1.229 10 0 CDAEHM CC[C@](C)([N-]S(=O)(=O)CCOC(C)(C)C)C(=O)OC ZINC000601329486 342554595 /nfs/dbraw/zinc/55/45/95/342554595.db2.gz JQCZWBWJIHOOMJ-LBPRGKRZSA-N -1 3 295.401 1.063 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@@H]2COC(C)(C)C2)c1 ZINC000396525551 342558091 /nfs/dbraw/zinc/55/80/91/342558091.db2.gz 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CCOC(=O)c1csc(=NC[C@H]2CC(=O)N(CC)C2)[n-]1 ZINC000593499132 342808240 /nfs/dbraw/zinc/80/82/40/342808240.db2.gz ZDEYKNYOUIAEOE-SECBINFHSA-N -1 3 297.380 1.022 10 0 CDAEHM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1ccccc1F ZINC000593631560 342817147 /nfs/dbraw/zinc/81/71/47/342817147.db2.gz LCQILBZTYSFMEX-SECBINFHSA-N -1 3 293.291 1.005 10 0 CDAEHM CCOC(=O)[C@@H]([N-]S(C)(=O)=O)C1CCCCCC1 ZINC000594488555 342913680 /nfs/dbraw/zinc/91/36/80/342913680.db2.gz SPMNLQRCPBMYNU-NSHDSACASA-N -1 3 277.386 1.438 10 0 CDAEHM CC(=C([O-])NC(=O)Nc1ccc(C)cc1C)S(C)(=O)=O ZINC000600550310 342230933 /nfs/dbraw/zinc/23/09/33/342230933.db2.gz DNUGACQCQZKXRI-SNVBAGLBSA-N -1 3 298.364 1.385 10 0 CDAEHM CC[N-]S(=O)(=O)c1cc(C)c(C(=O)OCC)s1 ZINC000675057390 539084080 /nfs/dbraw/zinc/08/40/80/539084080.db2.gz FQWHVNUXTADFSW-UHFFFAOYSA-N -1 3 277.367 1.531 10 0 CDAEHM CC(C)CCc1nnc(NC(=O)c2cnn[n-]2)s1 ZINC000617097035 342914547 /nfs/dbraw/zinc/91/45/47/342914547.db2.gz DQBOSDJDAYFFOG-UHFFFAOYSA-N -1 3 266.330 1.497 10 0 CDAEHM CC(C)CCc1nnc(NC(=O)c2c[n-]nn2)s1 ZINC000617097035 342914549 /nfs/dbraw/zinc/91/45/49/342914549.db2.gz DQBOSDJDAYFFOG-UHFFFAOYSA-N -1 3 266.330 1.497 10 0 CDAEHM CC(C)CCc1nnc(NC(=O)c2cn[n-]n2)s1 ZINC000617097035 342914551 /nfs/dbraw/zinc/91/45/51/342914551.db2.gz DQBOSDJDAYFFOG-UHFFFAOYSA-N -1 3 266.330 1.497 10 0 CDAEHM COCC[C@H](CO)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000281550881 539128970 /nfs/dbraw/zinc/12/89/70/539128970.db2.gz KISWJJBRFIIBFQ-CYBMUJFWSA-N -1 3 289.331 1.673 10 0 CDAEHM CCc1ccccc1NC(=O)C(=O)NCc1ncccc1[O-] ZINC000351876456 362032994 /nfs/dbraw/zinc/03/29/94/362032994.db2.gz DPYFGKQLXSITIY-UHFFFAOYSA-N -1 3 299.330 1.605 10 0 CDAEHM COc1nnc(NC(=O)CSc2ccccc2C)[n-]1 ZINC000126820267 187264080 /nfs/dbraw/zinc/26/40/80/187264080.db2.gz QUGRIAAMIKLWOD-UHFFFAOYSA-N -1 3 278.337 1.853 10 0 CDAEHM COc1nc(NC(=O)CSc2ccccc2C)n[n-]1 ZINC000126820267 187264082 /nfs/dbraw/zinc/26/40/82/187264082.db2.gz QUGRIAAMIKLWOD-UHFFFAOYSA-N -1 3 278.337 1.853 10 0 CDAEHM 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FLQUGNBMLTYHEG-UHFFFAOYSA-N -1 3 266.247 1.558 10 0 CDAEHM CN(C)c1ccncc1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000085410683 179056777 /nfs/dbraw/zinc/05/67/77/179056777.db2.gz HMAAXCGVDLUFLD-MNOVXSKESA-N -1 3 277.324 1.443 10 0 CDAEHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2cscn2)CCO1 ZINC000584588225 346375402 /nfs/dbraw/zinc/37/54/02/346375402.db2.gz WKSSDEPPFQLBGC-VIFPVBQESA-N -1 3 290.410 1.627 10 0 CDAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)cnn1C ZINC000644221103 365821688 /nfs/dbraw/zinc/82/16/88/365821688.db2.gz HJBJETYZPWHYHL-SECBINFHSA-N -1 3 279.312 1.195 10 0 CDAEHM C[C@H](NC(=O)[C@H](N)CC(=O)[O-])c1ccc(Cl)s1 ZINC000085813451 179178214 /nfs/dbraw/zinc/17/82/14/179178214.db2.gz BIRMMNNZFYYPHD-NTSWFWBYSA-N -1 3 276.745 1.381 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)Nc1cc(Cl)cc2cccnc21 ZINC000085812454 179178440 /nfs/dbraw/zinc/17/84/40/179178440.db2.gz BYRUGIWHJIIHQQ-SECBINFHSA-N -1 3 293.710 1.629 10 0 CDAEHM Cc1ccc([C@@H](C)N(C)C(=O)[C@@H](N)CCC(=O)[O-])s1 ZINC000085840153 179185327 /nfs/dbraw/zinc/18/53/27/179185327.db2.gz LGXZJZROGMDKJH-ZJUUUORDSA-N -1 3 284.381 1.768 10 0 CDAEHM CCN(CCc1ccccc1)C(=O)[C@@H](N)CCC(=O)[O-] ZINC000085839551 179185424 /nfs/dbraw/zinc/18/54/24/179185424.db2.gz QNCHBSZNXQDCCU-ZDUSSCGKSA-N -1 3 278.352 1.270 10 0 CDAEHM Cc1cc(C)cc(N(C)C(=O)[C@H](N)CCC(=O)[O-])c1 ZINC000085843736 179185723 /nfs/dbraw/zinc/18/57/23/179185723.db2.gz IPSSVEYMJOPOTQ-GFCCVEGCSA-N -1 3 264.325 1.458 10 0 CDAEHM CCOc1ccc(NC(=O)[C@@H](N)CC(=O)[O-])c(C)c1 ZINC000085815217 179179056 /nfs/dbraw/zinc/17/90/56/179179056.db2.gz JNCUTVCPILPYJE-JTQLQIEISA-N -1 3 266.297 1.134 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)N[C@H]1CCCc2sccc21 ZINC000085817957 179181389 /nfs/dbraw/zinc/18/13/89/179181389.db2.gz GSYYOLVCGSMBDB-BDAKNGLRSA-N -1 3 268.338 1.044 10 0 CDAEHM COc1ccc([O-])c(C(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000085982818 179209993 /nfs/dbraw/zinc/20/99/93/179209993.db2.gz HTHNKKKAUCJFCP-GWCFXTLKSA-N -1 3 279.336 1.682 10 0 CDAEHM C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000086080299 179226844 /nfs/dbraw/zinc/22/68/44/179226844.db2.gz FMNLMBJZHPHEFO-XQQFMLRXSA-N -1 3 297.399 1.223 10 0 CDAEHM Cn1cc(CCC(=O)Nc2cccc([O-])c2F)nn1 ZINC000613111023 347396771 /nfs/dbraw/zinc/39/67/71/347396771.db2.gz XJMKKNAABKCVDF-UHFFFAOYSA-N -1 3 264.260 1.231 10 0 CDAEHM Cc1ccc(OCCN(C)C(=O)c2cc(=O)[n-]cn2)cc1 ZINC000623586854 347646938 /nfs/dbraw/zinc/64/69/38/347646938.db2.gz RTQWTVAMDDTUSF-UHFFFAOYSA-N -1 3 287.319 1.642 10 0 CDAEHM C[C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)c2c([O-])cccc21 ZINC000613576828 347788875 /nfs/dbraw/zinc/78/88/75/347788875.db2.gz MEFBESISUVUWAB-KOLCDFICSA-N -1 3 289.335 1.256 10 0 CDAEHM COC(=O)c1[n-]c(=N[C@@H](C)CC(C)(C)O)sc1C ZINC000450692333 362852283 /nfs/dbraw/zinc/85/22/83/362852283.db2.gz LXRRFXVSTAWUKX-ZETCQYMHSA-N -1 3 272.370 1.621 10 0 CDAEHM C[C@@H](NC(=O)[C@H]1C[C@@H]1C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614829248 348243458 /nfs/dbraw/zinc/24/34/58/348243458.db2.gz 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/nfs/dbraw/zinc/06/25/96/350062596.db2.gz RIVZRDMVWLVEDP-RYUDHWBXSA-N -1 3 277.320 1.509 10 0 CDAEHM C[C@@H](CNC(=O)c1[nH]c(=O)[n-]c(=O)c1N)C1CCCCC1 ZINC000620371952 350154244 /nfs/dbraw/zinc/15/42/44/350154244.db2.gz RIGAMDMUEAXKSX-QMMMGPOBSA-N -1 3 294.355 1.416 10 0 CDAEHM CCc1cccc(C(=O)N2CCc3nccnc3C2)c1[O-] ZINC000620420490 350176313 /nfs/dbraw/zinc/17/63/13/350176313.db2.gz JEWDPOBCDQPWAS-UHFFFAOYSA-N -1 3 283.331 1.943 10 0 CDAEHM CC1(C)OCC[C@@H]1CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000620515971 350236365 /nfs/dbraw/zinc/23/63/65/350236365.db2.gz IQPPPKPMNGDKHU-MRVPVSSYSA-N -1 3 292.314 1.642 10 0 CDAEHM CC1(C)OCC[C@@H]1CNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000620515971 350236368 /nfs/dbraw/zinc/23/63/68/350236368.db2.gz IQPPPKPMNGDKHU-MRVPVSSYSA-N -1 3 292.314 1.642 10 0 CDAEHM CC1(C)OCC[C@@H]1CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000620515971 350236369 /nfs/dbraw/zinc/23/63/69/350236369.db2.gz IQPPPKPMNGDKHU-MRVPVSSYSA-N -1 3 292.314 1.642 10 0 CDAEHM CO[C@H]1CC[C@@H](C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)C1 ZINC000621811350 350788836 /nfs/dbraw/zinc/78/88/36/350788836.db2.gz QCWCRQYXQDXVRY-NEPJUHHUSA-N -1 3 286.335 1.647 10 0 CDAEHM CN(C(=O)c1cc(F)c[n-]c1=O)[C@H]1CC[C@H](O)CC1 ZINC000621966512 350898003 /nfs/dbraw/zinc/89/80/03/350898003.db2.gz CNHITHHNMYARHC-MGCOHNPYSA-N -1 3 268.288 1.302 10 0 CDAEHM C[C@]12COC[C@@H]1CN(C(=O)c1cc(F)c[n-]c1=O)C2 ZINC000622172364 351052002 /nfs/dbraw/zinc/05/20/02/351052002.db2.gz JEJDJTAROXYQMT-SDBXPKJASA-N -1 3 266.272 1.035 10 0 CDAEHM CCOC(=O)CN(Cc1nc(CC)cc(=O)[n-]1)C(C)(C)C ZINC000154630424 188154603 /nfs/dbraw/zinc/15/46/03/188154603.db2.gz XNSLLQVGRUPVST-UHFFFAOYSA-N -1 3 295.383 1.908 10 0 CDAEHM COc1ccc([O-])c(C(=O)N[C@H](C)[C@H](C)OC)c1 ZINC000292473487 198301961 /nfs/dbraw/zinc/30/19/61/198301961.db2.gz HTTZDXPPHABRHX-BDAKNGLRSA-N -1 3 253.298 1.554 10 0 CDAEHM COc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2O3)c1[O-] ZINC000158818904 188395224 /nfs/dbraw/zinc/39/52/24/188395224.db2.gz 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C[C@@H](C(=O)Nc1nn[n-]c1C(=O)NC1CC1)c1ccccc1 ZINC000297835749 200290254 /nfs/dbraw/zinc/29/02/54/200290254.db2.gz WBLWMYRPPLKMLU-SECBINFHSA-N -1 3 299.334 1.439 10 0 CDAEHM C[C@@H](C(=O)Nc1n[n-]nc1C(=O)NC1CC1)c1ccccc1 ZINC000297835749 200290256 /nfs/dbraw/zinc/29/02/56/200290256.db2.gz WBLWMYRPPLKMLU-SECBINFHSA-N -1 3 299.334 1.439 10 0 CDAEHM CCNC(=O)C[C@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000356887896 366612424 /nfs/dbraw/zinc/61/24/24/366612424.db2.gz BRDOFSYCXATFPF-CYBMUJFWSA-N -1 3 290.363 1.913 10 0 CDAEHM C[C@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000408242035 359988787 /nfs/dbraw/zinc/98/87/87/359988787.db2.gz PNNRIRCALZNQCY-UWVGGRQHSA-N -1 3 278.356 1.557 10 0 CDAEHM C[C@H]1CCCN(Cc2cnc3cnccn23)[C@H]1C(=O)[O-] ZINC000424412109 360043791 /nfs/dbraw/zinc/04/37/91/360043791.db2.gz CJXCONCIQLWDGE-GXFFZTMASA-N -1 3 274.324 1.414 10 0 CDAEHM CC(C)C[C@@H](CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)C(=O)[O-] ZINC000424422684 360051450 /nfs/dbraw/zinc/05/14/50/360051450.db2.gz 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/nfs/dbraw/zinc/69/54/96/360695496.db2.gz FSOJWMONOKPMCC-LLVKDONJSA-N -1 3 260.297 1.257 10 0 CDAEHM CC1(C)Cc2ccc(C(=O)N3CC[C@@](C)(O)C3)c([O-])c2O1 ZINC000408410065 360841663 /nfs/dbraw/zinc/84/16/63/360841663.db2.gz IUWUXEZFKFLLDA-MRXNPFEDSA-N -1 3 291.347 1.703 10 0 CDAEHM CCc1ccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c([O-])c1 ZINC000408410321 360853763 /nfs/dbraw/zinc/85/37/63/360853763.db2.gz NVNAVEJRYZVSJU-IACUBPJLSA-N -1 3 275.348 1.798 10 0 CDAEHM COc1nnc(NC(=O)[C@@H](C)Sc2ccccn2)[n-]1 ZINC000179360947 189189051 /nfs/dbraw/zinc/18/90/51/189189051.db2.gz YDKBAOIYDPGMIC-SSDOTTSWSA-N -1 3 279.325 1.328 10 0 CDAEHM COc1nc(NC(=O)[C@@H](C)Sc2ccccn2)n[n-]1 ZINC000179360947 189189052 /nfs/dbraw/zinc/18/90/52/189189052.db2.gz YDKBAOIYDPGMIC-SSDOTTSWSA-N -1 3 279.325 1.328 10 0 CDAEHM COc1n[n-]c(NC(=O)[C@@H](C)Sc2ccccn2)n1 ZINC000179360947 189189053 /nfs/dbraw/zinc/18/90/53/189189053.db2.gz YDKBAOIYDPGMIC-SSDOTTSWSA-N -1 3 279.325 1.328 10 0 CDAEHM CC(C)(C)[C@@H]1CCN(C(=O)Cc2cncc([O-])c2)C[C@@H]1O ZINC000566688926 360943338 /nfs/dbraw/zinc/94/33/38/360943338.db2.gz LMTXJEXSWMPNJD-KGLIPLIRSA-N -1 3 292.379 1.585 10 0 CDAEHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000338771343 361000916 /nfs/dbraw/zinc/00/09/16/361000916.db2.gz RYIMTTBDCFACND-MNOVXSKESA-N -1 3 292.383 1.947 10 0 CDAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C1CCC(F)(F)CC1 ZINC000131464071 361091439 /nfs/dbraw/zinc/09/14/39/361091439.db2.gz QHKQOAWBXMMURI-UHFFFAOYSA-N -1 3 287.266 1.960 10 0 CDAEHM Cn1nc(C(=O)[O-])cc1CNC[C@@H]1Cc2ccccc21 ZINC000635306726 361105346 /nfs/dbraw/zinc/10/53/46/361105346.db2.gz XDNZVBDMARKAHY-NSHDSACASA-N -1 3 271.320 1.548 10 0 CDAEHM C[C@H](C[S@@](C)=O)N(C)C(=O)c1cccc([O-])c1 ZINC000274586570 361281556 /nfs/dbraw/zinc/28/15/56/361281556.db2.gz ZOTJZTCETORGCV-VVVCHXIZSA-N -1 3 255.339 1.231 10 0 CDAEHM CCCc1nc(=NC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)s[n-]1 ZINC000350859584 361270838 /nfs/dbraw/zinc/27/08/38/361270838.db2.gz 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ZINC000270631236 364683672 /nfs/dbraw/zinc/68/36/72/364683672.db2.gz QKQZRQBRXXVTGM-JTQLQIEISA-N -1 3 295.335 1.862 10 0 CDAEHM CC[C@@H](NCc1nc(C)ccc1[O-])[C@H](O)C(F)(F)F ZINC000270772190 364749756 /nfs/dbraw/zinc/74/97/56/364749756.db2.gz AELRXCGDLCCTOK-KCJUWKMLSA-N -1 3 278.274 1.887 10 0 CDAEHM CSC[C@@H](C)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352992589 364699097 /nfs/dbraw/zinc/69/90/97/364699097.db2.gz WBLZSLLYAZZHPX-SCZZXKLOSA-N -1 3 269.370 1.621 10 0 CDAEHM CSC[C@H](C)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352992590 364699831 /nfs/dbraw/zinc/69/98/31/364699831.db2.gz WBLZSLLYAZZHPX-WCBMZHEXSA-N -1 3 269.370 1.621 10 0 CDAEHM O=C(NCc1ncccc1[O-])NC[C@@H]1CC=CCC1 ZINC000471740437 364968355 /nfs/dbraw/zinc/96/83/55/364968355.db2.gz XCSGLLSJPSVNBW-LLVKDONJSA-N -1 3 261.325 1.943 10 0 CDAEHM O=C(NCCCc1ccccn1)c1csc(=O)[n-]1 ZINC000472339309 365066392 /nfs/dbraw/zinc/06/63/92/365066392.db2.gz LPFLSUNHBLHQKC-UHFFFAOYSA-N -1 3 263.322 1.606 10 0 CDAEHM C[C@H]1C[C@H](C(=O)Nc2cc(-c3nccn3C)[n-]n2)CCO1 ZINC000272106070 365085661 /nfs/dbraw/zinc/08/56/61/365085661.db2.gz WVHNDPQXAANAEF-VHSXEESVSA-N -1 3 289.339 1.564 10 0 CDAEHM C[C@H]1C[C@H](C(=O)Nc2cc(-c3nccn3C)n[n-]2)CCO1 ZINC000272106070 365085665 /nfs/dbraw/zinc/08/56/65/365085665.db2.gz WVHNDPQXAANAEF-VHSXEESVSA-N -1 3 289.339 1.564 10 0 CDAEHM CCn1cnc(S(=O)(=O)[N-]CC2CCSCC2)c1 ZINC000353417524 365193838 /nfs/dbraw/zinc/19/38/38/365193838.db2.gz JFTVPMHAOPPWME-UHFFFAOYSA-N -1 3 289.426 1.325 10 0 CDAEHM C[C@@H](NCc1nc(=O)n(C)[n-]1)C1CCC(F)(F)CC1 ZINC000653871815 412742498 /nfs/dbraw/zinc/74/24/98/412742498.db2.gz KATLFKAYNAYGGW-MRVPVSSYSA-N -1 3 274.315 1.412 10 0 CDAEHM CC(C)[C@](C)(O)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000353655671 365360092 /nfs/dbraw/zinc/36/00/92/365360092.db2.gz YRZHGOHGUAPNSP-AWEZNQCLSA-N -1 3 289.339 1.136 10 0 CDAEHM CC(C)[C@](C)(O)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000353655671 365360096 /nfs/dbraw/zinc/36/00/96/365360096.db2.gz YRZHGOHGUAPNSP-AWEZNQCLSA-N -1 3 289.339 1.136 10 0 CDAEHM CCC[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccccc1 ZINC000171859793 365406749 /nfs/dbraw/zinc/40/67/49/365406749.db2.gz WTYBNKRXSZRVDN-GFCCVEGCSA-N -1 3 289.335 1.196 10 0 CDAEHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCC(C)(C)O2)n1 ZINC000279293585 366947930 /nfs/dbraw/zinc/94/79/30/366947930.db2.gz PQRJHOGIRSWKMG-JTQLQIEISA-N -1 3 250.298 1.992 10 0 CDAEHM NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1 ZINC000357370832 366954718 /nfs/dbraw/zinc/95/47/18/366954718.db2.gz UZWAARYFMQJIEP-CQSZACIVSA-N -1 3 284.315 1.219 10 0 CDAEHM Cc1cccc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)c1[O-] ZINC000279591022 367057056 /nfs/dbraw/zinc/05/70/56/367057056.db2.gz UIUZSWJEZBCZKV-OAHLLOKOSA-N -1 3 274.320 1.053 10 0 CDAEHM CC1(C)CCC[C@H](Sc2n[n-]c(CO)n2)C1=O ZINC000566901815 370836707 /nfs/dbraw/zinc/83/67/07/370836707.db2.gz VBMCLMIPYYPJFU-ZETCQYMHSA-N -1 3 255.343 1.537 10 0 CDAEHM CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2ccc(O)cc2[O-])C1 ZINC000280665820 367476385 /nfs/dbraw/zinc/47/63/85/367476385.db2.gz LQUKXYMVZSRUFC-ZJUUUORDSA-N -1 3 293.319 1.559 10 0 CDAEHM Cc1nn(C)cc1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000358111752 367440027 /nfs/dbraw/zinc/44/00/27/367440027.db2.gz OZKMXUXQCVKRKO-UHFFFAOYSA-N -1 3 296.330 1.500 10 0 CDAEHM COC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000416576474 242058499 /nfs/dbraw/zinc/05/84/99/242058499.db2.gz DANAJTPOHFFYMP-JTQLQIEISA-N -1 3 287.337 1.208 10 0 CDAEHM CCc1cnc(CC[N-]S(=O)(=O)c2ccccn2)s1 ZINC000340079409 367606563 /nfs/dbraw/zinc/60/65/63/367606563.db2.gz QUNYGYTVEKWPFJ-UHFFFAOYSA-N -1 3 297.405 1.622 10 0 CDAEHM NC(=O)C[C@@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000358465036 367702912 /nfs/dbraw/zinc/70/29/12/367702912.db2.gz YSYNRSRDEWVJSM-CQSZACIVSA-N -1 3 284.315 1.739 10 0 CDAEHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358602456 367809020 /nfs/dbraw/zinc/80/90/20/367809020.db2.gz RHVGURRTZJJYMF-GXSJLCMTSA-N -1 3 275.370 1.663 10 0 CDAEHM CN(CCCO)C(=O)NCc1ccc([O-])c(F)c1 ZINC000282395038 367864485 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COc1n[n-]c(NC(=O)C[C@H]2CCCC[C@H]2C)n1 ZINC000539815431 368483127 /nfs/dbraw/zinc/48/31/27/368483127.db2.gz OXMWZALZNYBPHF-RKDXNWHRSA-N -1 3 252.318 1.968 10 0 CDAEHM O=C(NCc1cccc(-c2cccnc2)c1)c1c[n-]nn1 ZINC000361716604 368999469 /nfs/dbraw/zinc/99/94/69/368999469.db2.gz YABFBQQMUVCLGI-UHFFFAOYSA-N -1 3 279.303 1.797 10 0 CDAEHM O=C(NCc1cccc(-c2cccnc2)c1)c1cnn[n-]1 ZINC000361716604 368999475 /nfs/dbraw/zinc/99/94/75/368999475.db2.gz YABFBQQMUVCLGI-UHFFFAOYSA-N -1 3 279.303 1.797 10 0 CDAEHM O=C(NCc1cccc(-c2cccnc2)c1)c1cn[n-]n1 ZINC000361716604 368999481 /nfs/dbraw/zinc/99/94/81/368999481.db2.gz YABFBQQMUVCLGI-UHFFFAOYSA-N -1 3 279.303 1.797 10 0 CDAEHM COCCCON=C([O-])Nc1ccnn1[C@H](C)C1CC1 ZINC000287381236 369182487 /nfs/dbraw/zinc/18/24/87/369182487.db2.gz BGQSHWQSRQRLTO-SNVBAGLBSA-N -1 3 282.344 1.944 10 0 CDAEHM COCCCO[N-]C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000287381236 369182493 /nfs/dbraw/zinc/18/24/93/369182493.db2.gz BGQSHWQSRQRLTO-SNVBAGLBSA-N -1 3 282.344 1.944 10 0 CDAEHM 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1.496 10 0 CDAEHM CCOCCC1(C(=O)N=c2cc(OC)n(C)[n-]2)CCC1 ZINC000547494074 369568817 /nfs/dbraw/zinc/56/88/17/369568817.db2.gz UDEMZBMXSPYZGX-UHFFFAOYSA-N -1 3 281.356 1.386 10 0 CDAEHM COc1cc(=NC(=O)[C@@H]2CCCN2C2CCCC2)[n-]n1C ZINC000547816111 369654278 /nfs/dbraw/zinc/65/42/78/369654278.db2.gz IOVDBKXYKNBINF-LBPRGKRZSA-N -1 3 292.383 1.196 10 0 CDAEHM COc1cc(=NC(=O)CCc2ccccc2C)[n-]n1C ZINC000548472551 369870426 /nfs/dbraw/zinc/87/04/26/369870426.db2.gz YFLZUXFBBWOKOP-UHFFFAOYSA-N -1 3 273.336 1.730 10 0 CDAEHM CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000119563920 370151881 /nfs/dbraw/zinc/15/18/81/370151881.db2.gz LXBSJELCCGWLPK-LLVKDONJSA-N -1 3 262.309 1.133 10 0 CDAEHM Cc1ccc([O-])c(CN2CC[C@@H](n3cccn3)C2)n1 ZINC000291227096 370219756 /nfs/dbraw/zinc/21/97/56/370219756.db2.gz JYLPSZHFXBYSBJ-GFCCVEGCSA-N -1 3 258.325 1.739 10 0 CDAEHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCOCC12CCC2 ZINC000378247023 296168241 /nfs/dbraw/zinc/16/82/41/296168241.db2.gz AAPJBUQZRFDBBB-UHFFFAOYSA-N -1 3 298.342 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265.313 1.047 10 0 CDAEHM Cc1ccc(NC(=O)C2CN(CC(F)F)C2)c([O-])c1 ZINC000345637648 391285368 /nfs/dbraw/zinc/28/53/68/391285368.db2.gz INARMLNYLHNPKE-UHFFFAOYSA-N -1 3 270.279 1.836 10 0 CDAEHM CN1CCC[C@@H](CNC(=O)C(=O)[O-])[C@@H]1c1cccs1 ZINC000364198782 391321946 /nfs/dbraw/zinc/32/19/46/391321946.db2.gz GKFYZYWSUSYOQC-GXSJLCMTSA-N -1 3 282.365 1.332 10 0 CDAEHM C[C@H]1C[C@H](N(C)C(=O)c2ncccc2[O-])CCN1C ZINC000275099945 391344994 /nfs/dbraw/zinc/34/49/94/391344994.db2.gz CWHXPBUUSJMVCB-WDEREUQCSA-N -1 3 263.341 1.342 10 0 CDAEHM C[C@@H]1CCC[C@H](OCC(=O)NCc2ncccc2[O-])C1 ZINC000525948386 391452565 /nfs/dbraw/zinc/45/25/65/391452565.db2.gz LJDYLDISRFEBCI-NEPJUHHUSA-N -1 3 278.352 1.999 10 0 CDAEHM COc1cc(C(=O)N(C)[C@H]2C[C@@H](OC)C2)ccc1[O-] ZINC000285982998 391548573 /nfs/dbraw/zinc/54/85/73/391548573.db2.gz LFCXRQAYTGJVAG-PHIMTYICSA-N -1 3 265.309 1.650 10 0 CDAEHM O[C@@H](CN=c1[n-]cc(C(F)(F)F)s1)[C@H]1CCCO1 ZINC000528139091 391614390 /nfs/dbraw/zinc/61/43/90/391614390.db2.gz 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287.323 1.620 10 0 CDAEHM CCO[C@@H]1[C@H](C)[C@@H]1C(=O)Nc1n[n-]c(SC)n1 ZINC000906467211 627283484 /nfs/dbraw/zinc/28/34/84/627283484.db2.gz XOGTZDLVRSEOOX-DSYKOEDSSA-N -1 3 256.331 1.136 10 0 CDAEHM COc1nnc(NC(=O)c2cn(C)nc2C2CCCC2)[n-]1 ZINC000907191890 627564678 /nfs/dbraw/zinc/56/46/78/627564678.db2.gz DCGQMMFPXSAAQK-UHFFFAOYSA-N -1 3 290.327 1.457 10 0 CDAEHM COc1nc(NC(=O)c2cn(C)nc2C2CCCC2)n[n-]1 ZINC000907191890 627564684 /nfs/dbraw/zinc/56/46/84/627564684.db2.gz DCGQMMFPXSAAQK-UHFFFAOYSA-N -1 3 290.327 1.457 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cn(C)nc2C2CCCC2)n1 ZINC000907191890 627564686 /nfs/dbraw/zinc/56/46/86/627564686.db2.gz DCGQMMFPXSAAQK-UHFFFAOYSA-N -1 3 290.327 1.457 10 0 CDAEHM O=C(C[C@@H](O)C(Cl)(Cl)Cl)[N-]OCC1CC1 ZINC000908383716 628171639 /nfs/dbraw/zinc/17/16/39/628171639.db2.gz TZKSUZZXEPOSIQ-ZCFIWIBFSA-N -1 3 276.547 1.565 10 0 CDAEHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCOC2)s1 ZINC000908705715 628345286 /nfs/dbraw/zinc/34/52/86/628345286.db2.gz 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/nfs/dbraw/zinc/49/87/91/711498791.db2.gz FNPNAJMKYDVRCP-UHFFFAOYSA-N -1 3 291.804 1.931 10 0 CDAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)/C=C/c2ccccc2F)C(=O)O1 ZINC000841521951 711498844 /nfs/dbraw/zinc/49/88/44/711498844.db2.gz GZVWFFDJEZEDNZ-VACNFSINSA-N -1 3 299.323 1.420 10 0 CDAEHM CC(=O)[C@H](C)CCCCC(=O)[N-]OCCN1CCCC1=O ZINC000856040830 711594591 /nfs/dbraw/zinc/59/45/91/711594591.db2.gz HSTCREVWTGIVSQ-GFCCVEGCSA-N -1 3 298.383 1.442 10 0 CDAEHM CCO[C@@H]1COCC[C@@H]1CC(=O)[N-]OC/C=C\Cl ZINC000868470397 711627667 /nfs/dbraw/zinc/62/76/67/711627667.db2.gz SHYDKAFAEVSADO-VRJVPJCWSA-N -1 3 277.748 1.618 10 0 CDAEHM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358606350 711664212 /nfs/dbraw/zinc/66/42/12/711664212.db2.gz CKHONGDKJUVGOK-UHFFFAOYSA-N -1 3 289.353 1.598 10 0 CDAEHM Cc1ccc(C(=O)NNC(=O)[C@H]2CCOC[C@@H]2C)c([O-])c1 ZINC000192879065 711673419 /nfs/dbraw/zinc/67/34/19/711673419.db2.gz YZOZKKFIIPTRGO-QWRGUYRKSA-N -1 3 292.335 1.134 10 0 CDAEHM Cc1cccc(-c2noc(COC(=O)c3cnn[n-]3)n2)c1 ZINC000805604474 711682294 /nfs/dbraw/zinc/68/22/94/711682294.db2.gz KIHIBOXNHMJUBE-UHFFFAOYSA-N -1 3 285.263 1.520 10 0 CDAEHM Cc1cccc(-c2noc(COC(=O)c3c[n-]nn3)n2)c1 ZINC000805604474 711682296 /nfs/dbraw/zinc/68/22/96/711682296.db2.gz KIHIBOXNHMJUBE-UHFFFAOYSA-N -1 3 285.263 1.520 10 0 CDAEHM COc1ccc(C(=O)N[C@H]2CCn3ccnc32)c([O-])c1 ZINC000833311557 711684719 /nfs/dbraw/zinc/68/47/19/711684719.db2.gz XSIPIIRYJLZKAX-NSHDSACASA-N -1 3 273.292 1.472 10 0 CDAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3C[C@H]3C2)nc1Cl ZINC000828364561 711729997 /nfs/dbraw/zinc/72/99/97/711729997.db2.gz JMIBBUIKBHEMGQ-XHNCKOQMSA-N -1 3 289.788 1.540 10 0 CDAEHM C[C@@H](CC(=O)[N-]OC[C@@H]1CCOC1)c1cccnc1 ZINC000788116991 711746795 /nfs/dbraw/zinc/74/67/95/711746795.db2.gz DTRKDEWUNXQHNW-NWDGAFQWSA-N -1 3 264.325 1.660 10 0 CDAEHM Cc1cc(=O)[n-]c(CN2C[C@H](O)C[C@H]2c2ccccc2)n1 ZINC000839634536 711751588 /nfs/dbraw/zinc/75/15/88/711751588.db2.gz DCCMXIRJQCZWGD-KGLIPLIRSA-N -1 3 285.347 1.799 10 0 CDAEHM CCOc1nnc(NC(=O)CSc2ccncc2)[n-]1 ZINC000228780224 711781948 /nfs/dbraw/zinc/78/19/48/711781948.db2.gz BVOAFOSXRVMCMV-UHFFFAOYSA-N -1 3 279.325 1.329 10 0 CDAEHM CCOc1nc(NC(=O)CSc2ccncc2)n[n-]1 ZINC000228780224 711781949 /nfs/dbraw/zinc/78/19/49/711781949.db2.gz BVOAFOSXRVMCMV-UHFFFAOYSA-N -1 3 279.325 1.329 10 0 CDAEHM CCOc1n[n-]c(NC(=O)CSc2ccncc2)n1 ZINC000228780224 711781950 /nfs/dbraw/zinc/78/19/50/711781950.db2.gz BVOAFOSXRVMCMV-UHFFFAOYSA-N -1 3 279.325 1.329 10 0 CDAEHM Cc1nc(C)c(CC(=O)N2CC[C@H]2C(F)F)c(=O)[n-]1 ZINC000868601233 711786718 /nfs/dbraw/zinc/78/67/18/711786718.db2.gz LVCUPINILRKIPM-VIFPVBQESA-N -1 3 271.267 1.208 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@]12C[C@H]1CCC2 ZINC000921929261 711793696 /nfs/dbraw/zinc/79/36/96/711793696.db2.gz RUIATHATJQBZOH-PWSUYJOCSA-N -1 3 270.354 1.760 10 0 CDAEHM CCN(Cc1cncc(C(=O)[O-])c1)[C@@H]1CCCOC1 ZINC000721606480 711798728 /nfs/dbraw/zinc/79/87/28/711798728.db2.gz WNUALEUISVYEMU-CYBMUJFWSA-N -1 3 264.325 1.781 10 0 CDAEHM O=C(NCc1cscn1)c1cc2c(cc1[O-])OCO2 ZINC000051441684 711817556 /nfs/dbraw/zinc/81/75/56/711817556.db2.gz PUHJOPWIQHUKSR-UHFFFAOYSA-N -1 3 278.289 1.507 10 0 CDAEHM COc1nnc(NC(=O)C(C)(C)c2cccc(OC)c2)[n-]1 ZINC000867155190 711819889 /nfs/dbraw/zinc/81/98/89/711819889.db2.gz XVXNFCWPGZBSNQ-UHFFFAOYSA-N -1 3 290.323 1.738 10 0 CDAEHM COc1nc(NC(=O)C(C)(C)c2cccc(OC)c2)n[n-]1 ZINC000867155190 711819890 /nfs/dbraw/zinc/81/98/90/711819890.db2.gz XVXNFCWPGZBSNQ-UHFFFAOYSA-N -1 3 290.323 1.738 10 0 CDAEHM COc1n[n-]c(NC(=O)C(C)(C)c2cccc(OC)c2)n1 ZINC000867155190 711819891 /nfs/dbraw/zinc/81/98/91/711819891.db2.gz XVXNFCWPGZBSNQ-UHFFFAOYSA-N -1 3 290.323 1.738 10 0 CDAEHM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](C)C1CCCC1 ZINC000866787916 711827432 /nfs/dbraw/zinc/82/74/32/711827432.db2.gz QOMVELJEIFXYEP-SNVBAGLBSA-N -1 3 296.458 1.907 10 0 CDAEHM CC1(C)Cc2ccc(C(=O)Nn3ccnn3)c([O-])c2O1 ZINC000908833352 711831181 /nfs/dbraw/zinc/83/11/81/711831181.db2.gz JZZITOSDIMIMAC-UHFFFAOYSA-N -1 3 274.280 1.081 10 0 CDAEHM C/C(=C/c1ccccn1)C(=O)[N-]OC(C)(C)CO ZINC000848165073 711837649 /nfs/dbraw/zinc/83/76/49/711837649.db2.gz WBJGBPZFUOSHGY-NTMALXAHSA-N -1 3 250.298 1.304 10 0 CDAEHM Cc1ccc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1O ZINC001628255124 1166057072 /nfs/dbraw/zinc/05/70/72/1166057072.db2.gz MDKWRVMJZFLTMA-UHFFFAOYSA-N -1 3 291.332 1.415 10 0 CDAEHM CCOc1nnc(NC(=O)C=Cc2ccc(C)nc2)[n-]1 ZINC001643948665 1167282941 /nfs/dbraw/zinc/28/29/41/1167282941.db2.gz GRXNYBKQIOUUBW-SREVYHEPSA-N -1 3 273.296 1.559 10 0 CDAEHM CCOc1nc(NC(=O)C=Cc2ccc(C)nc2)n[n-]1 ZINC001643948665 1167282948 /nfs/dbraw/zinc/28/29/48/1167282948.db2.gz GRXNYBKQIOUUBW-SREVYHEPSA-N -1 3 273.296 1.559 10 0 CDAEHM CCOc1n[n-]c(NC(=O)C=Cc2ccc(C)nc2)n1 ZINC001643948665 1167282954 /nfs/dbraw/zinc/28/29/54/1167282954.db2.gz GRXNYBKQIOUUBW-SREVYHEPSA-N -1 3 273.296 1.559 10 0 CDAEHM COc1cccc([O-])c1C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000690771191 897931937 /nfs/dbraw/zinc/93/19/37/897931937.db2.gz MDBDUZYQWSVHDC-QWRGUYRKSA-N -1 3 277.320 1.509 10 0 CDAEHM CSCC[C@H](C)[N-]S(=O)(=O)c1cccnc1F ZINC000401946030 901949476 /nfs/dbraw/zinc/94/94/76/901949476.db2.gz IZWXASASMYDODP-QMMMGPOBSA-N -1 3 278.374 1.641 10 0 CDAEHM O=C(NCc1ccc([O-])c(F)c1)c1ncc(Cl)cn1 ZINC001362259390 903386954 /nfs/dbraw/zinc/38/69/54/903386954.db2.gz XBLVXLDZKXMCHN-UHFFFAOYSA-N -1 3 281.674 1.905 10 0 CDAEHM Cc1n[nH]c(C(=O)NCC2CN(CCCCCF)C2)c1[O-] ZINC001567827082 1168999294 /nfs/dbraw/zinc/99/92/94/1168999294.db2.gz NCOHDOVTYUTCKF-UHFFFAOYSA-N -1 3 298.362 1.225 10 0 CDAEHM C[C@H](NC(=O)CCCF)[C@H](C)NC(=O)c1ccccc1[O-] ZINC001411352927 910685805 /nfs/dbraw/zinc/68/58/05/910685805.db2.gz LGNIMHODJMGGTN-QWRGUYRKSA-N -1 3 296.342 1.765 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cc3c(cc2[O-])OCO3)[C@@H](C)[C@H](C)O1 ZINC000438410667 911223719 /nfs/dbraw/zinc/22/37/19/911223719.db2.gz LQIFZYMCNKYPDT-UTLUCORTSA-N -1 3 293.319 1.759 10 0 CDAEHM O=C(NCCNc1cnc(F)cn1)c1ccc([O-])cc1 ZINC001184884925 919309334 /nfs/dbraw/zinc/30/93/34/919309334.db2.gz FDGOQAVBLCERMI-UHFFFAOYSA-N -1 3 276.271 1.163 10 0 CDAEHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cocn1 ZINC001413773972 936856594 /nfs/dbraw/zinc/85/65/94/936856594.db2.gz OEPHRYXUYHDFJM-MGCOHNPYSA-N -1 3 288.307 1.626 10 0 CDAEHM O=C(NCCNC(=O)C1C=CC=CC=C1)c1ccccc1[O-] ZINC001491115717 936859574 /nfs/dbraw/zinc/85/95/74/936859574.db2.gz DIGZKGDWYBYAOQ-UHFFFAOYSA-N -1 3 298.342 1.537 10 0 CDAEHM O=C([O-])C[C@H](NCc1cn(C2CCC2)nn1)C1CC1 ZINC001118376152 924378892 /nfs/dbraw/zinc/37/88/92/924378892.db2.gz GJNYLQZUSQIGSI-LBPRGKRZSA-N -1 3 264.329 1.346 10 0 CDAEHM Cn1cc(CN[C@H](CC(=O)[O-])C2CC2)c(Cl)n1 ZINC001118805678 924875288 /nfs/dbraw/zinc/87/52/88/924875288.db2.gz UROZLXSCHQHINU-SECBINFHSA-N -1 3 257.721 1.416 10 0 CDAEHM COc1ccc(C(=O)NCC(C)(C)n2ccnc2)c([O-])c1 ZINC000824634016 925831168 /nfs/dbraw/zinc/83/11/68/925831168.db2.gz JHWHRZYBOVGBDI-UHFFFAOYSA-N -1 3 289.335 1.762 10 0 CDAEHM CC[C@@H](C)C[C@@H](N)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000400749781 937259991 /nfs/dbraw/zinc/25/99/91/937259991.db2.gz CHLQQMPAPQXHBM-OUAUKWLOSA-N -1 3 256.346 1.073 10 0 CDAEHM CCc1[n-]nc(Cl)c1C(=O)NOCC(F)F ZINC000860812272 929202634 /nfs/dbraw/zinc/20/26/34/929202634.db2.gz ULCCBYUAHLWYAT-UHFFFAOYSA-N -1 3 253.636 1.552 10 0 CDAEHM CCc1n[n-]c(Cl)c1C(=O)NOCC(F)F ZINC000860812272 929202644 /nfs/dbraw/zinc/20/26/44/929202644.db2.gz ULCCBYUAHLWYAT-UHFFFAOYSA-N -1 3 253.636 1.552 10 0 CDAEHM Cc1cc(F)ncc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC001137179793 930048314 /nfs/dbraw/zinc/04/83/14/930048314.db2.gz YUUUPWZETBUCBP-UHFFFAOYSA-N -1 3 278.243 1.291 10 0 CDAEHM CN(CCNC(=O)c1cnncc1[O-])c1ccccc1 ZINC001411616385 931918052 /nfs/dbraw/zinc/91/80/52/931918052.db2.gz GWNXFBJRNZCOLC-UHFFFAOYSA-N -1 3 272.308 1.048 10 0 CDAEHM O=C(N[C@@H]1C[C@H]1[C@H]1CCCO1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001412301079 932368053 /nfs/dbraw/zinc/36/80/53/932368053.db2.gz JEUCPXGSCARKMQ-CKYFFXLPSA-N -1 3 289.335 1.357 10 0 CDAEHM C[C@@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)C(N)=O ZINC000924080411 932768700 /nfs/dbraw/zinc/76/87/00/932768700.db2.gz UAUCGQVFOKJMLJ-RXMQYKEDSA-N -1 3 283.234 1.531 10 0 CDAEHM CCOc1nnc(NC(=O)CCC(=O)OC(C)(C)C)[n-]1 ZINC001413426211 936028725 /nfs/dbraw/zinc/02/87/25/936028725.db2.gz DILCVMUPGREGPS-UHFFFAOYSA-N -1 3 284.316 1.264 10 0 CDAEHM CCOc1nc(NC(=O)CCC(=O)OC(C)(C)C)n[n-]1 ZINC001413426211 936028727 /nfs/dbraw/zinc/02/87/27/936028727.db2.gz DILCVMUPGREGPS-UHFFFAOYSA-N -1 3 284.316 1.264 10 0 CDAEHM CCOc1n[n-]c(NC(=O)CCC(=O)OC(C)(C)C)n1 ZINC001413426211 936028728 /nfs/dbraw/zinc/02/87/28/936028728.db2.gz DILCVMUPGREGPS-UHFFFAOYSA-N -1 3 284.316 1.264 10 0 CDAEHM CCCN1CCCC[C@@H]1C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001649851108 1169431509 /nfs/dbraw/zinc/43/15/09/1169431509.db2.gz WOFIRDJUDUDMHV-MELADBBJSA-N -1 3 296.411 1.820 10 0 CDAEHM C[C@]1(C[N-]S(=O)(=O)c2cccnc2F)CCCS1 ZINC000401830982 940882248 /nfs/dbraw/zinc/88/22/48/940882248.db2.gz IPKKRKNUXSZBQM-LLVKDONJSA-N -1 3 290.385 1.785 10 0 CDAEHM C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1cccnc1F ZINC000401836456 940882345 /nfs/dbraw/zinc/88/23/45/940882345.db2.gz QHYCFPXNSFINDQ-BXKDBHETSA-N -1 3 288.344 1.050 10 0 CDAEHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2F)CS1 ZINC000401858320 940883665 /nfs/dbraw/zinc/88/36/65/940883665.db2.gz ZZDNLZSIWPQTPC-JGVFFNPUSA-N -1 3 276.358 1.393 10 0 CDAEHM O=S(=O)([N-][C@H]1CCCSC1)c1cccnc1F ZINC000401939990 940885676 /nfs/dbraw/zinc/88/56/76/940885676.db2.gz FNFIVTGUEMFXQF-QMMMGPOBSA-N -1 3 276.358 1.395 10 0 CDAEHM O=C(NCCc1cc(F)cc(F)c1)c1cnncc1[O-] ZINC001362014074 970776095 /nfs/dbraw/zinc/77/60/95/970776095.db2.gz HCXPMZSIRJDQRL-UHFFFAOYSA-N -1 3 279.246 1.433 10 0 CDAEHM c1cn(-c2ccccc2)c(CN2CC[C@@H](c3nnn[n-]3)C2)n1 ZINC001473751994 970839904 /nfs/dbraw/zinc/83/99/04/970839904.db2.gz YXDFOMYKUXMXFM-GFCCVEGCSA-N -1 3 295.350 1.375 10 0 CDAEHM c1cn(-c2ccccc2)c(CN2CC[C@@H](c3nn[n-]n3)C2)n1 ZINC001473751994 970839913 /nfs/dbraw/zinc/83/99/13/970839913.db2.gz YXDFOMYKUXMXFM-GFCCVEGCSA-N -1 3 295.350 1.375 10 0 CDAEHM C[C@H](CNC(=O)c1ccc(F)c([O-])c1)CN1CCOCC1 ZINC001362266425 971094399 /nfs/dbraw/zinc/09/43/99/971094399.db2.gz PHSZSILEMHVLKU-LLVKDONJSA-N -1 3 296.342 1.229 10 0 CDAEHM O=C(NC1(c2nnc[nH]2)CCC1)c1ccc(Cl)c([O-])c1 ZINC001362389391 971218922 /nfs/dbraw/zinc/21/89/22/971218922.db2.gz BQSLOAWZLFRMBV-UHFFFAOYSA-N -1 3 292.726 1.973 10 0 CDAEHM COC[C@H](CC(C)(C)C)NCc1cc(C(=O)[O-])n[nH]1 ZINC001262160015 946480090 /nfs/dbraw/zinc/48/00/90/946480090.db2.gz QJLSQDZSBKLEDK-JTQLQIEISA-N -1 3 269.345 1.649 10 0 CDAEHM Cc1nc(C)c(CC(=O)N2C[C@@H](C)OCC[C@H]2C)c(=O)[n-]1 ZINC001363962920 954081336 /nfs/dbraw/zinc/08/13/36/954081336.db2.gz IBQZDRSIWYBWPB-NXEZZACHSA-N -1 3 293.367 1.367 10 0 CDAEHM COC(=O)C[C@H](NC(=O)c1cnncc1[O-])C1CCCC1 ZINC001364108717 954212891 /nfs/dbraw/zinc/21/28/91/954212891.db2.gz HZUYPGFQQOVEKP-NSHDSACASA-N -1 3 293.323 1.034 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CC[C@@H](c3cnccn3)C2)n1 ZINC001364507706 954705158 /nfs/dbraw/zinc/70/51/58/954705158.db2.gz VGHVINYRRRFPDD-LLVKDONJSA-N 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292.295 1.132 10 0 CDAEHM CC(C)[S@](C)(=O)=NC(=O)c1cc(F)cc2[n-]nnc21 ZINC001471988345 970531648 /nfs/dbraw/zinc/53/16/48/970531648.db2.gz MKGITPVYMMWFLD-IBGZPJMESA-N -1 3 284.316 1.743 10 0 CDAEHM CC(C)[S@](C)(=O)=NC(=O)c1cc(F)cc2nn[n-]c21 ZINC001471988345 970531657 /nfs/dbraw/zinc/53/16/57/970531657.db2.gz MKGITPVYMMWFLD-IBGZPJMESA-N -1 3 284.316 1.743 10 0 CDAEHM CC(C)[S@](C)(=O)=NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001471988345 970531659 /nfs/dbraw/zinc/53/16/59/970531659.db2.gz MKGITPVYMMWFLD-IBGZPJMESA-N -1 3 284.316 1.743 10 0 CDAEHM O=C(Cc1cncc([O-])c1)N1CCC[C@](O)(C2CC2)C1 ZINC000618299471 349433932 /nfs/dbraw/zinc/43/39/32/349433932.db2.gz VUFZPBBTSARFRY-OAHLLOKOSA-N -1 3 276.336 1.093 10 0 CDAEHM C[C@H]1CCC[C@@H](CNC(=O)c2cc(F)cc3nn[n-]c32)O1 ZINC000618588765 341987659 /nfs/dbraw/zinc/98/76/59/341987659.db2.gz LHLBBFGTKMNSDJ-WPRPVWTQSA-N -1 3 292.314 1.784 10 0 CDAEHM C[C@H]1CCC[C@@H](CNC(=O)c2cc(F)cc3[n-]nnc32)O1 ZINC000618588765 341987660 /nfs/dbraw/zinc/98/76/60/341987660.db2.gz 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ZINC000187484742 357769995 /nfs/dbraw/zinc/76/99/95/357769995.db2.gz RCGJCJKVPSZQBQ-UHFFFAOYSA-N -1 3 276.296 1.141 10 0 CDAEHM O=S(=O)([N-][C@H]1CCCC[C@H]1CO)c1ccco1 ZINC000188774005 357936498 /nfs/dbraw/zinc/93/64/98/357936498.db2.gz IRRKVNKRCZLHOO-UWVGGRQHSA-N -1 3 259.327 1.109 10 0 CDAEHM COc1cccc(C(=O)N[C@@H]2C[C@H](C)O[C@@H]2C)c1[O-] ZINC000384859627 358218682 /nfs/dbraw/zinc/21/86/82/358218682.db2.gz GXIDOWGVVFUGGK-IQJOONFLSA-N -1 3 265.309 1.697 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CCC(OCCO)CC1 ZINC000129034596 358274830 /nfs/dbraw/zinc/27/48/30/358274830.db2.gz ZVFMRFISXAXDLX-UHFFFAOYSA-N -1 3 265.309 1.006 10 0 CDAEHM COc1cccc(C(=O)N[C@H](CCO)C(C)C)c1[O-] ZINC000133227466 358604825 /nfs/dbraw/zinc/60/48/25/358604825.db2.gz UTHGOVOTMYCASF-LLVKDONJSA-N -1 3 267.325 1.538 10 0 CDAEHM CCN1CCC[C@@H](n2cccc(C(=O)[O-])c2=O)C1 ZINC000616575185 358726473 /nfs/dbraw/zinc/72/64/73/358726473.db2.gz AJTZTXVEFBWOQC-SNVBAGLBSA-N -1 3 250.298 1.203 10 0 CDAEHM COCC[C@H](C)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000101577435 358851789 /nfs/dbraw/zinc/85/17/89/358851789.db2.gz BCFBPSWQRGWXJB-ZETCQYMHSA-N -1 3 295.792 1.085 10 0 CDAEHM C[C@@H]1CCC[C@H](NC(=O)CN(C)CCCC(=O)[O-])[C@@H]1C ZINC000042717302 358972564 /nfs/dbraw/zinc/97/25/64/358972564.db2.gz SIZGZWKKHOQAQZ-UPJWGTAASA-N -1 3 284.400 1.724 10 0 CDAEHM COc1ccc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c([O-])c1 ZINC000042439099 358945112 /nfs/dbraw/zinc/94/51/12/358945112.db2.gz XTTYJKARHDVEQE-VHSXEESVSA-N -1 3 292.335 1.127 10 0 CDAEHM CC(C)C[C@H](CNCc1cn(C(C)(C)C)nn1)C(=O)[O-] ZINC000263038369 359216919 /nfs/dbraw/zinc/21/69/19/359216919.db2.gz IHWRCFSLPKXPKR-LLVKDONJSA-N -1 3 282.388 1.870 10 0 CDAEHM Cc1cccc(C(=O)N[C@@H]2CCc3ncnn3C2)c1[O-] ZINC000112725513 359349479 /nfs/dbraw/zinc/34/94/79/359349479.db2.gz NXWDXKZSWQXCIK-SNVBAGLBSA-N -1 3 272.308 1.037 10 0 CDAEHM Cc1ccn(C)c1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000335304464 359735071 /nfs/dbraw/zinc/73/50/71/359735071.db2.gz PSASIKSQTGLIKC-NSHDSACASA-N -1 3 274.324 1.582 10 0 CDAEHM C[C@@](O)(CN1CCC[C@H]1c1cccc(F)c1)C(=O)[O-] ZINC000566358380 359929127 /nfs/dbraw/zinc/92/91/27/359929127.db2.gz HIYVLFUNAYIVAP-GXTWGEPZSA-N -1 3 267.300 1.798 10 0 CDAEHM NC(=O)c1nn[n-]c1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000297889719 200300118 /nfs/dbraw/zinc/30/01/18/200300118.db2.gz VLIRAPCBYROAJW-JTQLQIEISA-N -1 3 299.334 1.352 10 0 CDAEHM NC(=O)c1[n-]nnc1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000297889719 200300120 /nfs/dbraw/zinc/30/01/20/200300120.db2.gz VLIRAPCBYROAJW-JTQLQIEISA-N -1 3 299.334 1.352 10 0 CDAEHM NC(=O)c1n[n-]nc1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000297889719 200300121 /nfs/dbraw/zinc/30/01/21/200300121.db2.gz VLIRAPCBYROAJW-JTQLQIEISA-N -1 3 299.334 1.352 10 0 CDAEHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)CO ZINC000120498291 360050987 /nfs/dbraw/zinc/05/09/87/360050987.db2.gz UWEINKYGDINMLT-YUMQZZPRSA-N -1 3 279.383 1.052 10 0 CDAEHM O=C([N-][C@@H]1CCN(C2CCCC2)C1)C(F)(F)F ZINC000082257793 360071525 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O=S(=O)([N-][C@H]1COc2ccc(F)cc2C1)c1ccco1 ZINC000335127296 150314622 /nfs/dbraw/zinc/31/46/22/150314622.db2.gz YNVFKBDBWWVSHX-LLVKDONJSA-N -1 3 297.307 1.701 10 0 CDAEHM O=C(NC[C@@H]1CNC(=O)C1)c1ccc2c(c1[O-])CCCC2 ZINC000335537557 150756253 /nfs/dbraw/zinc/75/62/53/150756253.db2.gz CDOABQQQJINJKF-JTQLQIEISA-N -1 3 288.347 1.137 10 0 CDAEHM CC[C@H]1[C@H](CO)CCN1C(=O)c1cc(C)ccc1[O-] ZINC000335900041 151095571 /nfs/dbraw/zinc/09/55/71/151095571.db2.gz PFSTWQKUUFOQIE-AAEUAGOBSA-N -1 3 263.337 1.934 10 0 CDAEHM Cn1ccnc1[C@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000335909348 151103609 /nfs/dbraw/zinc/10/36/09/151103609.db2.gz BYBHDVLPULYPSA-LBPRGKRZSA-N -1 3 271.320 1.755 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)N1CCOCC2(CC2)C1 ZINC000336185272 151344230 /nfs/dbraw/zinc/34/42/30/151344230.db2.gz PLXAPNDZTBTFLX-UHFFFAOYSA-N -1 3 279.311 1.713 10 0 CDAEHM C[C@H](CNC(=O)NCc1ncccc1[O-])c1nccs1 ZINC000349899340 154262362 /nfs/dbraw/zinc/26/23/62/154262362.db2.gz VTOMFTLVFGHSEN-SECBINFHSA-N -1 3 292.364 1.847 10 0 CDAEHM O=C(NC[C@H](CO)c1ccccc1)c1csc(=O)[n-]1 ZINC000350180266 154346880 /nfs/dbraw/zinc/34/68/80/154346880.db2.gz DRBAAMWMZZCFOQ-SNVBAGLBSA-N -1 3 278.333 1.355 10 0 CDAEHM COC[C@](C)(CC(=O)OC)NCc1nc(C)ccc1[O-] ZINC000350320473 154365675 /nfs/dbraw/zinc/36/56/75/154365675.db2.gz RCFCOKQTSUKRLW-AWEZNQCLSA-N -1 3 282.340 1.153 10 0 CDAEHM CCn1cnnc1[N-]C(=O)[C@@H](C)Oc1ccc(OC)cc1 ZINC000356172418 157384034 /nfs/dbraw/zinc/38/40/34/157384034.db2.gz ZLUVIEPYPNDYGD-SNVBAGLBSA-N -1 3 290.323 1.713 10 0 CDAEHM CCc1ncc(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C)s1 ZINC000359253441 158184319 /nfs/dbraw/zinc/18/43/19/158184319.db2.gz OCIFQXKYADGDAS-YUMQZZPRSA-N -1 3 260.384 1.640 10 0 CDAEHM Cc1ccc([O-])c(CNC[C@](C)(O)C(=O)OC(C)(C)C)n1 ZINC000362090047 159067920 /nfs/dbraw/zinc/06/79/20/159067920.db2.gz LKYYFJAQDHDGAO-HNNXBMFYSA-N -1 3 296.367 1.278 10 0 CDAEHM O=C(c1ccc2n[n-]nc2c1)N1CCC12CCOCC2 ZINC000373090419 160171851 /nfs/dbraw/zinc/17/18/51/160171851.db2.gz WEPZWMQUDBXAGJ-UHFFFAOYSA-N -1 3 272.308 1.353 10 0 CDAEHM COc1cccc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)c1[O-] ZINC000089429647 165024286 /nfs/dbraw/zinc/02/42/86/165024286.db2.gz SJLAGOAMDXXEHH-KOLCDFICSA-N -1 3 265.309 1.244 10 0 CDAEHM COCCSc1nnc(-c2ccccc2[O-])n1N ZINC000020227772 171093524 /nfs/dbraw/zinc/09/35/24/171093524.db2.gz JKTBHEBPRMSZJG-UHFFFAOYSA-N -1 3 266.326 1.103 10 0 CDAEHM CC(C)OC[C@H](N)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000662808244 413530202 /nfs/dbraw/zinc/53/02/02/413530202.db2.gz IVZHYVBNSNILFH-AAEUAGOBSA-N -1 3 292.379 1.985 10 0 CDAEHM CC(C)c1cccc(NC(=O)CNCCC(=O)[O-])c1 ZINC000035386427 172168593 /nfs/dbraw/zinc/16/85/93/172168593.db2.gz IMQHLKQAGGFMRM-UHFFFAOYSA-N -1 3 264.325 1.813 10 0 CDAEHM O=C([O-])CCCNCC(=O)Nc1ccccc1F ZINC000035415567 172190467 /nfs/dbraw/zinc/19/04/67/172190467.db2.gz OMAGBKQLJRHFPY-UHFFFAOYSA-N -1 3 254.261 1.219 10 0 CDAEHM C[C@H](O)c1cccc(S(=O)(=O)[N-]CC(F)(F)F)c1 ZINC000035634412 172318434 /nfs/dbraw/zinc/31/84/34/172318434.db2.gz SGLBMOWDGCXEBD-ZETCQYMHSA-N -1 3 283.271 1.581 10 0 CDAEHM CCOC(=O)CCOc1ccc2c([O-])coc2c1 ZINC000035663510 172342758 /nfs/dbraw/zinc/34/27/58/172342758.db2.gz RAIFWRLQVUWLJD-UHFFFAOYSA-N -1 3 250.250 1.594 10 0 CDAEHM O=S(=O)([N-][C@H](CO)C1CCC1)c1ccc(Cl)s1 ZINC000657057244 413881438 /nfs/dbraw/zinc/88/14/38/413881438.db2.gz JICZDEDEUXMSNT-MRVPVSSYSA-N -1 3 295.813 1.841 10 0 CDAEHM C[C@@H](NC(=O)NCc1nc(CN)cc(=O)[n-]1)C1CCCC1 ZINC000659454942 413840217 /nfs/dbraw/zinc/84/02/17/413840217.db2.gz QLHWVYDQJGKQFP-SECBINFHSA-N -1 3 293.371 1.019 10 0 CDAEHM Cc1cc(S(=O)(=O)[N-]C/C=C/CO)c(Cl)cc1F ZINC000657085252 413919937 /nfs/dbraw/zinc/91/99/37/413919937.db2.gz TWAOALYUDMLCBB-NSCUHMNNSA-N -1 3 293.747 1.614 10 0 CDAEHM CCN1CCC[C@@H]1CN(C)C(=O)C1(C(=O)[O-])CC=CC1 ZINC000663098995 413925549 /nfs/dbraw/zinc/92/55/49/413925549.db2.gz CMPMLURDBWVILG-GFCCVEGCSA-N -1 3 280.368 1.350 10 0 CDAEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C)cc2F)C1 ZINC000657106439 413937661 /nfs/dbraw/zinc/93/76/61/413937661.db2.gz LEZWFKZVYGLGOS-XYPYZODXSA-N -1 3 287.356 1.980 10 0 CDAEHM CCC[C@@](C)(N)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663279730 414116526 /nfs/dbraw/zinc/11/65/26/414116526.db2.gz LAQNYDKWYOUMGU-ZWNOBZJWSA-N -1 3 256.346 1.121 10 0 CDAEHM Cc1ccncc1CCNC(=O)NCc1ncccc1[O-] ZINC000661588789 414180749 /nfs/dbraw/zinc/18/07/49/414180749.db2.gz HYKFEBSQCVJAJA-UHFFFAOYSA-N -1 3 286.335 1.533 10 0 CDAEHM CC(C)(F)CCNC(=O)NCc1ncccc1[O-] ZINC000661753881 414337370 /nfs/dbraw/zinc/33/73/70/414337370.db2.gz JONZKOBFDXAITO-UHFFFAOYSA-N -1 3 255.293 1.725 10 0 CDAEHM CC(C)C[C@H]1CCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662205232 414562039 /nfs/dbraw/zinc/56/20/39/414562039.db2.gz XBOVQWRNCJVGFP-VXGBXAGGSA-N -1 3 268.357 1.182 10 0 CDAEHM CCCN(CC(=O)[O-])Cc1ccc(C(N)=O)cc1F ZINC000038021792 174000707 /nfs/dbraw/zinc/00/07/07/174000707.db2.gz SISDDFRTPMDRIB-UHFFFAOYSA-N -1 3 268.288 1.221 10 0 CDAEHM C[C@H](CNC(=O)c1ccccc1C(=O)[O-])N1CCCCC1 ZINC000038028144 174016603 /nfs/dbraw/zinc/01/66/03/174016603.db2.gz 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/nfs/dbraw/zinc/28/46/98/174284698.db2.gz JMSAMOWOSXSAKD-UHFFFAOYSA-N -1 3 288.347 1.806 10 0 CDAEHM CC(C)NCC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000040483154 174286333 /nfs/dbraw/zinc/28/63/33/174286333.db2.gz VVYDIWMUFREKMH-UHFFFAOYSA-N -1 3 264.325 1.042 10 0 CDAEHM CSCC[C@H](N)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000040484172 174287617 /nfs/dbraw/zinc/28/76/17/174287617.db2.gz OZXGYKLOPVIQQA-NSHDSACASA-N -1 3 282.365 1.185 10 0 CDAEHM CC(C)[C@@H](N)C(=O)N(CC(=O)[O-])c1cccc(Cl)c1 ZINC000040484591 174288014 /nfs/dbraw/zinc/28/80/14/174288014.db2.gz CDVLERKOANPBPN-GFCCVEGCSA-N -1 3 284.743 1.741 10 0 CDAEHM CC[C@H](C)N(CC(=O)[O-])C(=O)C1(N)CCCCC1 ZINC000040486074 174289023 /nfs/dbraw/zinc/28/90/23/174289023.db2.gz LSELTIAJYRAOMB-JTQLQIEISA-N -1 3 256.346 1.360 10 0 CDAEHM O=C([O-])C1CCC(NC(=O)N[C@@H]2CN3CCC2CC3)CC1 ZINC000040551307 174328004 /nfs/dbraw/zinc/32/80/04/174328004.db2.gz SFFJYJXURGRPOJ-WXRRBKDZSA-N -1 3 295.383 1.023 10 0 CDAEHM CCN(CCC(N)=S)C(=O)c1cccc(OC)c1[O-] ZINC000042452004 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COCCCN1CCc2sccc2[C@H]1C(=O)[O-] ZINC000044592420 175213708 /nfs/dbraw/zinc/21/37/08/175213708.db2.gz XQKLIILMJGPPOL-NSHDSACASA-N -1 3 255.339 1.768 10 0 CDAEHM CC[C@H](C)[C@H](N)C(=O)N1CCc2sccc2[C@@H]1C(=O)[O-] ZINC000044592606 175213717 /nfs/dbraw/zinc/21/37/17/175213717.db2.gz GIVROAARMWFAHQ-KPXOXKRLSA-N -1 3 296.392 1.632 10 0 CDAEHM CC(C)N(CCCC(=O)[O-])C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044680976 175229360 /nfs/dbraw/zinc/22/93/60/175229360.db2.gz ZUSAFYVHRDXPPX-LBPRGKRZSA-N -1 3 297.399 1.508 10 0 CDAEHM Cc1cc([C@H](C)[N-]S(=O)(=O)c2ccc(=O)[nH]c2)c(C)o1 ZINC000044731793 175240979 /nfs/dbraw/zinc/24/09/79/175240979.db2.gz BXOJUSFPRYFFOU-VIFPVBQESA-N -1 3 296.348 1.624 10 0 CDAEHM CC[C@H](C)[C@H](NC(=O)NC[C@@H](C)N1CCCCC1)C(=O)[O-] ZINC000045013250 175290448 /nfs/dbraw/zinc/29/04/48/175290448.db2.gz GDFYGSIHOUIURF-XQQFMLRXSA-N -1 3 299.415 1.659 10 0 CDAEHM CCC1CCC(NC(=O)NC[C@@H](C)N(C)C)(C(=O)[O-])CC1 ZINC000045111960 175310431 /nfs/dbraw/zinc/31/04/31/175310431.db2.gz USXCEWWRGBUIDA-XIKARTHZSA-N -1 3 299.415 1.659 10 0 CDAEHM C[C@@H](CNC(=O)Nc1ccc(F)cc1C(=O)[O-])N(C)C ZINC000045111648 175310667 /nfs/dbraw/zinc/31/06/67/175310667.db2.gz JUSHYLJDOSAPIH-QMMMGPOBSA-N -1 3 283.303 1.596 10 0 CDAEHM CCN(CC(F)(F)F)C[C@@](N)(C(=O)[O-])c1ccccc1 ZINC000045274010 175344521 /nfs/dbraw/zinc/34/45/21/175344521.db2.gz SZWHCOIROXMEQP-LBPRGKRZSA-N -1 3 290.285 1.809 10 0 CDAEHM NCc1cc(=O)[n-]c(-c2ccc(Br)s2)n1 ZINC000070681621 176001415 /nfs/dbraw/zinc/00/14/15/176001415.db2.gz OWYVRSLXCTYTPD-UHFFFAOYSA-N -1 3 286.154 1.720 10 0 CDAEHM CC[C@@H](CC(F)(F)F)NC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000547515439 289783514 /nfs/dbraw/zinc/78/35/14/289783514.db2.gz BUPWQDPADYVVGI-ZETCQYMHSA-N -1 3 294.277 1.703 10 0 CDAEHM COc1ccc(OCCN2CC(C(=O)[O-])C2)cc1 ZINC000071174016 176053883 /nfs/dbraw/zinc/05/38/83/176053883.db2.gz VPZSORBLNWTLCF-UHFFFAOYSA-N -1 3 251.282 1.090 10 0 CDAEHM C[C@H](CN1CCCC1)NCc1ccc(C(=O)[O-])o1 ZINC000071396164 176150197 /nfs/dbraw/zinc/15/01/97/176150197.db2.gz KTHWZTSMWIAAQL-SNVBAGLBSA-N -1 3 252.314 1.552 10 0 CDAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc[nH]c1=O ZINC000525967261 262358683 /nfs/dbraw/zinc/35/86/83/262358683.db2.gz AFTRKNJKMDJYIJ-JTQLQIEISA-N -1 3 274.280 1.036 10 0 CDAEHM CC(C)OC[C@H](N)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000662400862 424044637 /nfs/dbraw/zinc/04/46/37/424044637.db2.gz FYJUNDOXUSLHSL-VIFPVBQESA-N -1 3 272.732 1.736 10 0 CDAEHM O=S(=O)([N-]C[C@H]1C[C@@H]1c1ccccc1)c1c[nH]cn1 ZINC000122090276 424290039 /nfs/dbraw/zinc/29/00/39/424290039.db2.gz NRBQRZCNFXWMHM-VXGBXAGGSA-N -1 3 277.349 1.492 10 0 CDAEHM CC[C@@H](NC(=O)c1csc(=O)[n-]1)[C@@H]1CCCCO1 ZINC000655346803 424468882 /nfs/dbraw/zinc/46/88/82/424468882.db2.gz GLABPQNSOPILAU-SCZZXKLOSA-N -1 3 270.354 1.926 10 0 CDAEHM CCCN(C)CC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653328374 424547315 /nfs/dbraw/zinc/54/73/15/424547315.db2.gz IAGKHSGHIIJESV-KGLIPLIRSA-N -1 3 290.363 1.758 10 0 CDAEHM C[C@@H]1CC[C@@H](C)N1CC(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000653318072 424565882 /nfs/dbraw/zinc/56/58/82/424565882.db2.gz VKGILUUAJZGSIN-WYUUTHIRSA-N -1 3 268.357 1.323 10 0 CDAEHM C[C@@H]1CCC[C@H]1CC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000651977557 424577466 /nfs/dbraw/zinc/57/74/66/424577466.db2.gz QBYHVTWUSGTDSB-GRYCIOLGSA-N -1 3 291.399 1.717 10 0 CDAEHM Cn1cnc(S(=O)(=O)[N-]C2(C3CCC3)CCC2)c1 ZINC000514661591 266031825 /nfs/dbraw/zinc/03/18/25/266031825.db2.gz CSJRARLXEWAZQH-UHFFFAOYSA-N -1 3 269.370 1.421 10 0 CDAEHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CC1 ZINC000521546072 270554510 /nfs/dbraw/zinc/55/45/10/270554510.db2.gz YHDFQXQWVYOXKT-WDEREUQCSA-N -1 3 282.365 1.557 10 0 CDAEHM O=C(NCC[C@H]1CCCOC1)c1cccc2nn[n-]c21 ZINC000529596889 271000496 /nfs/dbraw/zinc/00/04/96/271000496.db2.gz DYAQYDDYMAGMFF-SNVBAGLBSA-N -1 3 274.324 1.504 10 0 CDAEHM O=C(NCC[C@H]1CCCOC1)c1cccc2[n-]nnc21 ZINC000529596889 271000498 /nfs/dbraw/zinc/00/04/98/271000498.db2.gz DYAQYDDYMAGMFF-SNVBAGLBSA-N -1 3 274.324 1.504 10 0 CDAEHM O=C(NCC[C@H]1CCCOC1)c1cccc2n[n-]nc21 ZINC000529596889 271000500 /nfs/dbraw/zinc/00/05/00/271000500.db2.gz DYAQYDDYMAGMFF-SNVBAGLBSA-N -1 3 274.324 1.504 10 0 CDAEHM COc1ccc(C(=O)N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c([O-])c1 ZINC000529986953 271087186 /nfs/dbraw/zinc/08/71/86/271087186.db2.gz NXFMQLVTSQSMOB-JIXVBMEVSA-N -1 3 279.336 1.943 10 0 CDAEHM CO[C@@]1(C(=O)[O-])CCN(CCOc2c(C)cccc2C)C1 ZINC000530169968 271127750 /nfs/dbraw/zinc/12/77/50/271127750.db2.gz KLHMJPVLDOOPFX-INIZCTEOSA-N -1 3 293.363 1.858 10 0 CDAEHM CO[C@]1(C(=O)[O-])CCN(Cc2ccc(F)cc2C)C1 ZINC000530172559 271131312 /nfs/dbraw/zinc/13/13/12/271131312.db2.gz ZMMMHZZEVLVHIW-CQSZACIVSA-N -1 3 267.300 1.810 10 0 CDAEHM CO[C@@H]1CN(C(=O)c2ccc3n[n-]nc3c2)CC[C@@H]1C ZINC000188009692 277298911 /nfs/dbraw/zinc/29/89/11/277298911.db2.gz BWCCKDXVONZEFE-TVQRCGJNSA-N -1 3 274.324 1.455 10 0 CDAEHM CO[C@H]1CN(C(=O)c2cc(F)cc3[n-]nnc32)CC[C@@H]1C ZINC000282779598 277343812 /nfs/dbraw/zinc/34/38/12/277343812.db2.gz QELQZJBBTMDACC-UFBFGSQYSA-N -1 3 292.314 1.594 10 0 CDAEHM CO[C@H]1CN(C(=O)c2cc(F)cc3nn[n-]c32)CC[C@@H]1C ZINC000282779598 277343814 /nfs/dbraw/zinc/34/38/14/277343814.db2.gz QELQZJBBTMDACC-UFBFGSQYSA-N -1 3 292.314 1.594 10 0 CDAEHM CO[C@H]1CN(C(=O)c2cc(F)cc3n[n-]nc32)CC[C@@H]1C ZINC000282779598 277343816 /nfs/dbraw/zinc/34/38/16/277343816.db2.gz QELQZJBBTMDACC-UFBFGSQYSA-N -1 3 292.314 1.594 10 0 CDAEHM COc1nnc(NC(=O)c2cncc(C(F)(F)F)c2)[n-]1 ZINC000486958236 278079518 /nfs/dbraw/zinc/07/95/18/278079518.db2.gz QZJXZPRPZMNIMM-UHFFFAOYSA-N -1 3 287.201 1.479 10 0 CDAEHM COc1nc(NC(=O)c2cncc(C(F)(F)F)c2)n[n-]1 ZINC000486958236 278079520 /nfs/dbraw/zinc/07/95/20/278079520.db2.gz QZJXZPRPZMNIMM-UHFFFAOYSA-N -1 3 287.201 1.479 10 0 CDAEHM COc1n[n-]c(NC(=O)c2cncc(C(F)(F)F)c2)n1 ZINC000486958236 278079521 /nfs/dbraw/zinc/07/95/21/278079521.db2.gz QZJXZPRPZMNIMM-UHFFFAOYSA-N -1 3 287.201 1.479 10 0 CDAEHM COc1cccc(C(=O)NCc2csc(=O)[nH]2)c1[O-] ZINC000089508016 279261760 /nfs/dbraw/zinc/26/17/60/279261760.db2.gz JCBZHAPLHWAEBP-UHFFFAOYSA-N -1 3 280.305 1.081 10 0 CDAEHM Cn1cc(C(=O)NC[C@@H]2CC3CCC2CC3)c(=O)[n-]c1=O ZINC000335358879 279330348 /nfs/dbraw/zinc/33/03/48/279330348.db2.gz OJJTXQMCDDHAGT-ILDUYXDCSA-N -1 3 291.351 1.042 10 0 CDAEHM CCc1cccc(C(=O)NC[C@]2(CCO)CCOC2)c1[O-] ZINC000119188200 279357570 /nfs/dbraw/zinc/35/75/70/279357570.db2.gz MWFLNHIZRYAXKZ-INIZCTEOSA-N -1 3 293.363 1.474 10 0 CDAEHM Cc1cnc(C[N-]S(=O)(=O)[C@H]2CCO[C@@H]2C)s1 ZINC000135775094 279827576 /nfs/dbraw/zinc/82/75/76/279827576.db2.gz MGRRPMOYNAXYHS-BDAKNGLRSA-N -1 3 276.383 1.048 10 0 CDAEHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cscn1 ZINC000520803630 281053110 /nfs/dbraw/zinc/05/31/10/281053110.db2.gz JMABOFOBRPONKF-UHFFFAOYSA-N -1 3 287.366 1.480 10 0 CDAEHM Cc1nc(C)c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)o1 ZINC000527498972 281145352 /nfs/dbraw/zinc/14/53/52/281145352.db2.gz AMPLJIBGKZUTQJ-JTQLQIEISA-N -1 3 276.296 1.540 10 0 CDAEHM CC(C)c1n[nH]cc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527499756 281145682 /nfs/dbraw/zinc/14/56/82/281145682.db2.gz 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/nfs/dbraw/zinc/78/07/31/289780731.db2.gz AIMSCACQVPYUCC-UHFFFAOYSA-N -1 3 273.292 1.306 10 0 CDAEHM COc1cc(=NC(=O)N[C@H]2CCC[C@@H]2C)[n-]n1C ZINC000547838146 289815003 /nfs/dbraw/zinc/81/50/03/289815003.db2.gz FSYRXHXOVRVDJU-IUCAKERBSA-N -1 3 252.318 1.161 10 0 CDAEHM CC[C@@H]1CC[C@H](C)N1C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000548165772 289852675 /nfs/dbraw/zinc/85/26/75/289852675.db2.gz JFMRNZBQVNBHTM-VHSXEESVSA-N -1 3 266.345 1.645 10 0 CDAEHM CCc1ccc(CNC(=O)N=c2cc(OC)n(C)[n-]2)s1 ZINC000548497667 289896395 /nfs/dbraw/zinc/89/63/95/289896395.db2.gz CGVBOHJJZOEORV-UHFFFAOYSA-N -1 3 294.380 1.796 10 0 CDAEHM CO[C@@H]1CCCC[C@H]1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000551902771 290023800 /nfs/dbraw/zinc/02/38/00/290023800.db2.gz SFTCEJZXZMFDBX-ZWNOBZJWSA-N -1 3 291.351 1.272 10 0 CDAEHM O=C(N=c1cc2ccccn2[n-]1)C1CCC(=O)CC1 ZINC000552994426 290088623 /nfs/dbraw/zinc/08/86/23/290088623.db2.gz SDMSRPFNYWDDRL-UHFFFAOYSA-N -1 3 257.293 1.454 10 0 CDAEHM Cc1cc(COCC(=O)N=c2cc3ccccn3[n-]2)on1 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CCc1cc(=O)[n-]c(CN2CCC[C@@H](OC(F)F)C2)n1 ZINC000679679319 483036344 /nfs/dbraw/zinc/03/63/44/483036344.db2.gz AUYXZRROCWOPHG-SNVBAGLBSA-N -1 3 287.310 1.948 10 0 CDAEHM Cc1cc(S(=O)(=O)[N-][C@H](C)C(C)(C)O)c(F)cc1F ZINC000676851300 483629165 /nfs/dbraw/zinc/62/91/65/483629165.db2.gz IBZDHRJGYFCANJ-MRVPVSSYSA-N -1 3 293.335 1.711 10 0 CDAEHM CCC(CC)NC(=O)[C@H](C)N(CC)[C@@H](C)CC(=O)[O-] ZINC000061182474 521589217 /nfs/dbraw/zinc/58/92/17/521589217.db2.gz DOAFMVQLSXDEKM-QWRGUYRKSA-N -1 3 272.389 1.865 10 0 CDAEHM CCN1CCN(C[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000062749805 521686127 /nfs/dbraw/zinc/68/61/27/521686127.db2.gz GOFISWPSGXEJOO-AWEZNQCLSA-N -1 3 262.353 1.492 10 0 CDAEHM COc1cc(Cl)c(C)cc1NC(=O)c1n[n-]c(N)n1 ZINC000055163997 522517223 /nfs/dbraw/zinc/51/72/23/522517223.db2.gz CHEAJNCFLBWLFL-UHFFFAOYSA-N -1 3 281.703 1.610 10 0 CDAEHM CC(C)(C)N(CCC(=O)[O-])C(=O)[C@@H](CN)c1ccccc1 ZINC000061612526 518703188 /nfs/dbraw/zinc/70/31/88/518703188.db2.gz GDEQOZPKVAOCER-ZDUSSCGKSA-N -1 3 292.379 1.831 10 0 CDAEHM CC(C)N1CCN(Cc2ccnc(C(=O)[O-])c2)CC1 ZINC000068763323 519683057 /nfs/dbraw/zinc/68/30/57/519683057.db2.gz HOAWDFYOJJXQSD-UHFFFAOYSA-N -1 3 263.341 1.306 10 0 CDAEHM CC(C)c1nnc(SCC(=O)[O-])n1[C@@H]1CCN(C)C1 ZINC000049086302 519890965 /nfs/dbraw/zinc/89/09/65/519890965.db2.gz SIQZQIMIZQODOK-SECBINFHSA-N -1 3 284.385 1.455 10 0 CDAEHM CCN(C(=O)C1(N)CCCCC1)C(C)(C)C(=O)[O-] ZINC000061151100 519899684 /nfs/dbraw/zinc/89/96/84/519899684.db2.gz JFLJFKCNBLVZRH-UHFFFAOYSA-N -1 3 256.346 1.360 10 0 CDAEHM CC(C)n1c(=O)[n-]nc1Sc1ccc(Cl)nn1 ZINC000061596022 519918996 /nfs/dbraw/zinc/91/89/96/519918996.db2.gz FHNYTINATTWZAN-UHFFFAOYSA-N -1 3 271.733 1.747 10 0 CDAEHM CCN(CC(=O)N1CCC(C)CC1)C[C@@H](C)C(=O)[O-] ZINC000061218426 520306241 /nfs/dbraw/zinc/30/62/41/520306241.db2.gz ZSZMWZYXPHWGCN-GFCCVEGCSA-N -1 3 270.373 1.288 10 0 CDAEHM CCCC[C@@H](C)[N-]S(=O)(=O)c1cn(CCC)nc1N ZINC000050886847 521012085 /nfs/dbraw/zinc/01/20/85/521012085.db2.gz KHRGTBDGGHECJM-SNVBAGLBSA-N -1 3 288.417 1.732 10 0 CDAEHM CCOC(=O)[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000049497900 521019137 /nfs/dbraw/zinc/01/91/37/521019137.db2.gz GVRKPJTYLCQGNV-SECBINFHSA-N -1 3 288.303 1.210 10 0 CDAEHM CCN(C[C@H](C)C(=O)[O-])C(=O)C[C@@H](N)c1ccccc1 ZINC000061221753 521238615 /nfs/dbraw/zinc/23/86/15/521238615.db2.gz DXYCNYGBDASZDO-WCQYABFASA-N -1 3 278.352 1.646 10 0 CDAEHM CCC[C@](C)(NC(=O)N[C@@H](CN(C)C)C(C)C)C(=O)[O-] ZINC000049230656 521279430 /nfs/dbraw/zinc/27/94/30/521279430.db2.gz UEWXXHLXNWFVFD-FZMZJTMJSA-N -1 3 287.404 1.515 10 0 CDAEHM CCCn1c(=O)[n-]nc1S[C@H](C)CC(=O)OC ZINC000061593691 521615668 /nfs/dbraw/zinc/61/56/68/521615668.db2.gz YUHVSOYQNVCIAZ-SSDOTTSWSA-N -1 3 259.331 1.025 10 0 CDAEHM CCN1CCC[C@@H](NC(=O)N(CCC(=O)[O-])C2CC2)C1 ZINC000049227858 521618907 /nfs/dbraw/zinc/61/89/07/521618907.db2.gz WGYBDJBTDRKFKE-LLVKDONJSA-N -1 3 283.372 1.119 10 0 CDAEHM CCNC(=O)[C@H](C)N1CCC(CCC(=O)[O-])CC1 ZINC000050926443 521744937 /nfs/dbraw/zinc/74/49/37/521744937.db2.gz CLGPOZQASNWXMG-JTQLQIEISA-N -1 3 256.346 1.088 10 0 CDAEHM CCc1nc(CN2CCCN(CC(=O)[O-])CC2)cs1 ZINC000061146415 522302311 /nfs/dbraw/zinc/30/23/11/522302311.db2.gz KOVALEIEFOCFMU-UHFFFAOYSA-N -1 3 283.397 1.298 10 0 CDAEHM COc1cc(Cl)c(C)cc1NC(=O)c1nnc(N)[n-]1 ZINC000055163997 522517211 /nfs/dbraw/zinc/51/72/11/522517211.db2.gz CHEAJNCFLBWLFL-UHFFFAOYSA-N -1 3 281.703 1.610 10 0 CDAEHM COc1cc(Cl)c(C)cc1NC(=O)c1nc(N)n[n-]1 ZINC000055163997 522517218 /nfs/dbraw/zinc/51/72/18/522517218.db2.gz CHEAJNCFLBWLFL-UHFFFAOYSA-N -1 3 281.703 1.610 10 0 CDAEHM CN(CCN1CCCC1)C(=O)CC1(C(=O)[O-])CCCC1 ZINC000063051901 522823110 /nfs/dbraw/zinc/82/31/10/522823110.db2.gz LKFNBGOFLFAAMW-UHFFFAOYSA-N -1 3 282.384 1.576 10 0 CDAEHM COCc1ccc(Cn2cc(Cl)c(=O)[n-]c2=O)cc1 ZINC000338554813 523001579 /nfs/dbraw/zinc/00/15/79/523001579.db2.gz NNICALFOJHBTCP-UHFFFAOYSA-N -1 3 280.711 1.797 10 0 CDAEHM COCCCn1nccc1CNCc1ncccc1[O-] ZINC000338443319 523520609 /nfs/dbraw/zinc/52/06/09/523520609.db2.gz DDHDUORJGGPPIQ-UHFFFAOYSA-N -1 3 276.340 1.310 10 0 CDAEHM COCCN[C@@H](C(=O)[O-])c1cccc2cccnc21 ZINC000069503642 523960875 /nfs/dbraw/zinc/96/08/75/523960875.db2.gz UEXOIIPDDYQHIM-CYBMUJFWSA-N -1 3 260.293 1.597 10 0 CDAEHM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC000070103380 524429372 /nfs/dbraw/zinc/42/93/72/524429372.db2.gz MPRJTQZQKWMYQR-ZETCQYMHSA-N -1 3 275.761 1.597 10 0 CDAEHM CSCCC[N-]S(=O)(=O)c1cc(N)cs1 ZINC000068994716 525479389 /nfs/dbraw/zinc/47/93/89/525479389.db2.gz LFESXBWQPUFUQL-UHFFFAOYSA-N -1 3 266.413 1.362 10 0 CDAEHM Cc1ccc(C(=O)[O-])c(NC[C@H]2CN(C)CCN2C)c1 ZINC000068810380 526232568 /nfs/dbraw/zinc/23/25/68/526232568.db2.gz QFYKGEBOYXHUPE-LBPRGKRZSA-N -1 3 277.368 1.351 10 0 CDAEHM O=C([O-])c1cc(CN2CCN(C3CCCC3)CC2)ccn1 ZINC000068763405 526344845 /nfs/dbraw/zinc/34/48/45/526344845.db2.gz MXFCUAYCTWCNHB-UHFFFAOYSA-N -1 3 289.379 1.840 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1CCCO ZINC000052758422 526704420 /nfs/dbraw/zinc/70/44/20/526704420.db2.gz 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ZINC001567485790 1168799434 /nfs/dbraw/zinc/79/94/34/1168799434.db2.gz RRGTZVKXEBCQPX-UHFFFAOYSA-N -1 3 252.661 1.426 10 0 CDAEHM COc1cccc([O-])c1C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000690771189 897931671 /nfs/dbraw/zinc/93/16/71/897931671.db2.gz MDBDUZYQWSVHDC-MNOVXSKESA-N -1 3 277.320 1.509 10 0 CDAEHM COCCCCN(C)C(=O)c1c([O-])cccc1O ZINC000397084825 899881412 /nfs/dbraw/zinc/88/14/12/899881412.db2.gz DDTIMRYSEMSWSN-UHFFFAOYSA-N -1 3 253.298 1.596 10 0 CDAEHM O=C(NOCc1ccc(F)cc1)c1cccc2n[n-]nc21 ZINC000188800298 899903620 /nfs/dbraw/zinc/90/36/20/899903620.db2.gz HGQUZBYVVYUEJI-UHFFFAOYSA-N -1 3 286.266 1.959 10 0 CDAEHM CC/C=C(\C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000095163268 900012787 /nfs/dbraw/zinc/01/27/87/900012787.db2.gz OUIXFVKSUUCSKR-ONNFQVAWSA-N -1 3 271.324 1.839 10 0 CDAEHM CC/C=C(\C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000095163268 900012804 /nfs/dbraw/zinc/01/28/04/900012804.db2.gz OUIXFVKSUUCSKR-ONNFQVAWSA-N -1 3 271.324 1.839 10 0 CDAEHM CC1(CNC(=O)Cc2ccc([O-])c(F)c2)OCCCO1 ZINC000830375669 936456781 /nfs/dbraw/zinc/45/67/81/936456781.db2.gz RQQMIOJLYFJTPK-UHFFFAOYSA-N -1 3 283.299 1.343 10 0 CDAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2Cl)[C@H](C)O1 ZINC000384738428 936621802 /nfs/dbraw/zinc/62/18/02/936621802.db2.gz KXRVCOQJLHFBMY-HRDYMLBCSA-N -1 3 290.772 1.579 10 0 CDAEHM COc1cc(NC(=O)c2cc3c(cc2[O-])OCO3)nn1C ZINC000775068048 920298127 /nfs/dbraw/zinc/29/81/27/920298127.db2.gz REAILFAYWUBNOV-UHFFFAOYSA-N -1 3 291.263 1.115 10 0 CDAEHM O=C(N=[S@]1(=O)CCc2ccccc21)c1cc(=O)[n-]cn1 ZINC001413632306 936646885 /nfs/dbraw/zinc/64/68/85/936646885.db2.gz VVGSRIQXIIRFNC-FQEVSTJZSA-N -1 3 289.316 1.406 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001649360760 1169238760 /nfs/dbraw/zinc/23/87/60/1169238760.db2.gz FUNGYESHIULSRL-ZWNOBZJWSA-N -1 3 277.320 1.739 10 0 CDAEHM CC(=O)C(C)(C)CCC(=O)[N-]O[C@H](CO)C(C)C ZINC000836888962 936810145 /nfs/dbraw/zinc/81/01/45/936810145.db2.gz BIZWOIXQNOUKDQ-LLVKDONJSA-N -1 3 259.346 1.447 10 0 CDAEHM CC(C)[C@@H](CO)O[N-]C(=O)CCc1ccccc1O ZINC000836901495 936811291 /nfs/dbraw/zinc/81/12/91/936811291.db2.gz IWBTXGLVAHDTTC-CYBMUJFWSA-N -1 3 267.325 1.390 10 0 CDAEHM C[C@@H]1COCC[C@@H]1C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837673913 936852488 /nfs/dbraw/zinc/85/24/88/936852488.db2.gz OHGVVORLNPHOFY-SKDRFNHKSA-N -1 3 292.335 1.775 10 0 CDAEHM CCC(C)(C)NC(=O)COC(=O)Cc1ccc([O-])c(F)c1 ZINC000838140973 936868042 /nfs/dbraw/zinc/86/80/42/936868042.db2.gz KAICGSNZJXSLIM-UHFFFAOYSA-N -1 3 297.326 1.922 10 0 CDAEHM O=S(=O)([N-]C[C@@H]1C=CCC1)c1cccnc1F ZINC000711776298 923845292 /nfs/dbraw/zinc/84/52/92/923845292.db2.gz FHMKPZLOJJONOI-SECBINFHSA-N -1 3 256.302 1.465 10 0 CDAEHM Cn1nccc1COCC(=O)Nc1c([O-])cccc1Cl ZINC001141469188 936878407 /nfs/dbraw/zinc/87/84/07/936878407.db2.gz LFBRNDOCCFMSCM-UHFFFAOYSA-N -1 3 295.726 1.934 10 0 CDAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)/C=C\c2ccccc2F)C(=O)O1 ZINC000841521953 937006533 /nfs/dbraw/zinc/00/65/33/937006533.db2.gz GZVWFFDJEZEDNZ-VTHORBTBSA-N -1 3 299.323 1.420 10 0 CDAEHM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccnc1F ZINC000401846807 925687891 /nfs/dbraw/zinc/68/78/91/925687891.db2.gz BIXLWXVWSCRXHL-RKDXNWHRSA-N -1 3 274.317 1.067 10 0 CDAEHM C[C@@H](NCc1nc(=O)n(C)[n-]1)c1ccc2c(c1)CCCO2 ZINC000852781721 927870701 /nfs/dbraw/zinc/87/07/01/927870701.db2.gz PTKLUHOMMNMCLC-SNVBAGLBSA-N -1 3 288.351 1.284 10 0 CDAEHM Cc1nocc1CO[N-]C(=O)CCOc1ccccc1 ZINC000853666406 928070419 /nfs/dbraw/zinc/07/04/19/928070419.db2.gz GJOSWFXWPFMBNX-UHFFFAOYSA-N -1 3 276.292 2.000 10 0 CDAEHM CN(CC1CN(C)C1)C(=O)c1cccc(Cl)c1[O-] ZINC000855638424 928452386 /nfs/dbraw/zinc/45/23/86/928452386.db2.gz GMMFVQDEUDGGFK-UHFFFAOYSA-N -1 3 268.744 1.679 10 0 CDAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2F)C[C@H](C)O1 ZINC000694753870 937260877 /nfs/dbraw/zinc/26/08/77/937260877.db2.gz YBKODNYJXGZZHD-ILWJIGKKSA-N -1 3 288.344 1.455 10 0 CDAEHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCn2cncc21 ZINC000857976577 928787648 /nfs/dbraw/zinc/78/76/48/928787648.db2.gz HHYYEKYVSIYMPX-LLVKDONJSA-N -1 3 275.283 1.532 10 0 CDAEHM CCc1[n-]nc(Cl)c1C(=O)NOCCSC ZINC000861471566 929297888 /nfs/dbraw/zinc/29/78/88/929297888.db2.gz YTUQPYBEUXHYGX-UHFFFAOYSA-N -1 3 263.750 1.650 10 0 CDAEHM CCc1n[n-]c(Cl)c1C(=O)NOCCSC ZINC000861471566 929297900 /nfs/dbraw/zinc/29/79/00/929297900.db2.gz YTUQPYBEUXHYGX-UHFFFAOYSA-N -1 3 263.750 1.650 10 0 CDAEHM O=C(CCCc1ccc([O-])c(F)c1)O[C@H]1CCNC1=O ZINC000787846446 929434888 /nfs/dbraw/zinc/43/48/88/929434888.db2.gz XHMJKCZCLWVXDU-LBPRGKRZSA-N -1 3 281.283 1.286 10 0 CDAEHM O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1nnc2ccccc2c1[O-] ZINC000863289048 929530502 /nfs/dbraw/zinc/53/05/02/929530502.db2.gz WJFOVCBGQDTURI-GXFFZTMASA-N -1 3 299.330 1.633 10 0 CDAEHM CC(=O)N1CSC[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000128598150 929740869 /nfs/dbraw/zinc/74/08/69/929740869.db2.gz SRMACSJHTXXSLL-VIFPVBQESA-N -1 3 284.312 1.391 10 0 CDAEHM C[C@@H](OC(=O)c1cnn[n-]1)c1nnc(-c2ccccc2)o1 ZINC000805604754 930165572 /nfs/dbraw/zinc/16/55/72/930165572.db2.gz QLUKIQQDWOOODX-MRVPVSSYSA-N -1 3 285.263 1.773 10 0 CDAEHM C[C@@H](OC(=O)c1c[n-]nn1)c1nnc(-c2ccccc2)o1 ZINC000805604754 930165581 /nfs/dbraw/zinc/16/55/81/930165581.db2.gz QLUKIQQDWOOODX-MRVPVSSYSA-N -1 3 285.263 1.773 10 0 CDAEHM COc1ncc(COC(=O)c2cccc3nn[n-]c32)c(C)n1 ZINC000800205618 930423903 /nfs/dbraw/zinc/42/39/03/930423903.db2.gz KTKGTCCHTAQEFO-UHFFFAOYSA-N -1 3 299.290 1.422 10 0 CDAEHM COc1ncc(COC(=O)c2cccc3[n-]nnc32)c(C)n1 ZINC000800205618 930423907 /nfs/dbraw/zinc/42/39/07/930423907.db2.gz KTKGTCCHTAQEFO-UHFFFAOYSA-N -1 3 299.290 1.422 10 0 CDAEHM COc1ncc(COC(=O)c2cccc3n[n-]nc32)c(C)n1 ZINC000800205618 930423911 /nfs/dbraw/zinc/42/39/11/930423911.db2.gz KTKGTCCHTAQEFO-UHFFFAOYSA-N -1 3 299.290 1.422 10 0 CDAEHM COC(=O)CC[C@@H]1CC[C@H](C(=O)Nc2ncccc2[O-])O1 ZINC000821843416 931094986 /nfs/dbraw/zinc/09/49/86/931094986.db2.gz LOURKWXCHVKIAP-GXSJLCMTSA-N -1 3 294.307 1.227 10 0 CDAEHM CC1(C(=O)OCCC[N-]C(=O)C(F)(F)F)CC=CC1 ZINC000924203275 932777029 /nfs/dbraw/zinc/77/70/29/932777029.db2.gz UIRFUKVQJMFJJG-UHFFFAOYSA-N -1 3 279.258 1.955 10 0 CDAEHM Cc1cc(CNCCc2nc(C(=O)[O-])cs2)on1 ZINC001119536569 937729411 /nfs/dbraw/zinc/72/94/11/937729411.db2.gz MTWKHUPHZPRPKF-UHFFFAOYSA-N -1 3 267.310 1.470 10 0 CDAEHM CC(=O)CCC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C ZINC000935160285 934036593 /nfs/dbraw/zinc/03/65/93/934036593.db2.gz ITMALCUDPLGAHL-SECBINFHSA-N -1 3 288.344 1.317 10 0 CDAEHM O=C(NCCCc1c[n-][nH]c1=O)Nc1ccc2cc[nH]c2c1 ZINC001119817728 937757679 /nfs/dbraw/zinc/75/76/79/937757679.db2.gz WPUDDXNTZHAZIL-LLVKDONJSA-N -1 3 299.334 1.801 10 0 CDAEHM C[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000158800318 934300688 /nfs/dbraw/zinc/30/06/88/934300688.db2.gz KXRSTJPJARDCFX-JGVFFNPUSA-N -1 3 278.761 1.030 10 0 CDAEHM C[C@H]1[C@H](NC(=O)c2ccc(Cl)cc2[O-])CCN1C ZINC000719337357 934848915 /nfs/dbraw/zinc/84/89/15/934848915.db2.gz MCSZFIIJSCFCLY-GZMMTYOYSA-N -1 3 268.744 1.868 10 0 CDAEHM C[C@@]1(C[N-]S(=O)(=O)c2cccnc2F)CCCS1 ZINC000401830985 940882371 /nfs/dbraw/zinc/88/23/71/940882371.db2.gz IPKKRKNUXSZBQM-NSHDSACASA-N -1 3 290.385 1.785 10 0 CDAEHM COc1cccc([O-])c1C(=O)NCC[C@H]1CCCO1 ZINC000405284790 940979380 /nfs/dbraw/zinc/97/93/80/940979380.db2.gz VJZZGWXWBKCAAN-SNVBAGLBSA-N -1 3 265.309 1.700 10 0 CDAEHM COc1cccc([O-])c1C(=O)N[C@@H]1COC(C)(C)C1 ZINC000405305552 940981106 /nfs/dbraw/zinc/98/11/06/940981106.db2.gz WWGWEFXQRXATPE-VIFPVBQESA-N -1 3 265.309 1.698 10 0 CDAEHM C[C@@H](CNC(=O)c1cnncc1[O-])N(C)c1ccccc1 ZINC001362050733 970819304 /nfs/dbraw/zinc/81/93/04/970819304.db2.gz DBBPSFBBWLZBRQ-NSHDSACASA-N -1 3 286.335 1.437 10 0 CDAEHM Cc1ncc(CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)o1 ZINC001473765670 970843065 /nfs/dbraw/zinc/84/30/65/970843065.db2.gz JGXHXXPKHQXBDU-UHFFFAOYSA-N -1 3 272.308 1.872 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)c2ncc(Cl)cn2)[n-]n1 ZINC001362277490 971105517 /nfs/dbraw/zinc/10/55/17/971105517.db2.gz ZNDHDPBYXGPWJH-UHFFFAOYSA-N -1 3 295.686 1.282 10 0 CDAEHM CCOC(=O)c1cc(NC(=O)c2ncc(Cl)cn2)n[n-]1 ZINC001362277490 971105522 /nfs/dbraw/zinc/10/55/22/971105522.db2.gz ZNDHDPBYXGPWJH-UHFFFAOYSA-N -1 3 295.686 1.282 10 0 CDAEHM CCOc1nc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)co1 ZINC001362639820 971485015 /nfs/dbraw/zinc/48/50/15/971485015.db2.gz NGTALSOOKAZRTG-QMMMGPOBSA-N -1 3 292.295 1.132 10 0 CDAEHM COc1cc(NC(=O)c2ccc(C(C)=O)c([O-])c2)nn1C ZINC001362675836 971518369 /nfs/dbraw/zinc/51/83/69/971518369.db2.gz KUGYXUCZSAOYQA-UHFFFAOYSA-N -1 3 289.291 1.589 10 0 CDAEHM O=C(N1CCc2c(=O)[n-]cnc2C1)[C@]12CCC[C@H]1OCC2 ZINC001362903905 971714407 /nfs/dbraw/zinc/71/44/07/971714407.db2.gz GIMUPUVRDIUHGZ-DOMZBBRYSA-N -1 3 289.335 1.026 10 0 CDAEHM Cc1nocc1C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001363716319 953690930 /nfs/dbraw/zinc/69/09/30/953690930.db2.gz UUWADZRACCKZEF-YFKPBYRVSA-N -1 3 289.217 1.611 10 0 CDAEHM CC(=O)CCCC(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001363879940 953963233 /nfs/dbraw/zinc/96/32/33/953963233.db2.gz NCNSBGJQPKURNN-UHFFFAOYSA-N -1 3 289.335 1.661 10 0 CDAEHM O=C(N1Cc2nc(C3CC3)[n-]c(=O)c2C1)C1(C(F)F)CC1 ZINC001363881734 953966587 /nfs/dbraw/zinc/96/65/87/953966587.db2.gz VTDKPBNMWLDXEO-UHFFFAOYSA-N -1 3 295.289 1.947 10 0 CDAEHM C[C@@H](Nc1cnc(F)cn1)c1nc(C(F)(F)F)n[n-]1 ZINC001364248769 954384774 /nfs/dbraw/zinc/38/47/74/954384774.db2.gz QAWFKVCTJVGCBA-SCSAIBSYSA-N -1 3 276.197 1.926 10 0 CDAEHM C[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccns1 ZINC001364469680 954649415 /nfs/dbraw/zinc/64/94/15/954649415.db2.gz FWQHSQPEIFCJRV-MRVPVSSYSA-N -1 3 292.364 1.562 10 0 CDAEHM CCOc1nnc(NC(=O)CCc2ccc(O)cc2)[n-]1 ZINC001363265368 972032962 /nfs/dbraw/zinc/03/29/62/972032962.db2.gz AIDBAASQVGGHQZ-UHFFFAOYSA-N -1 3 276.296 1.480 10 0 CDAEHM CCOc1nc(NC(=O)CCc2ccc(O)cc2)n[n-]1 ZINC001363265368 972032970 /nfs/dbraw/zinc/03/29/70/972032970.db2.gz AIDBAASQVGGHQZ-UHFFFAOYSA-N -1 3 276.296 1.480 10 0 CDAEHM CCOc1n[n-]c(NC(=O)CCc2ccc(O)cc2)n1 ZINC001363265368 972032978 /nfs/dbraw/zinc/03/29/78/972032978.db2.gz AIDBAASQVGGHQZ-UHFFFAOYSA-N -1 3 276.296 1.480 10 0 CDAEHM CCc1cc(=O)[n-]c(CN2CC[C@H](c3cnccn3)C2)n1 ZINC001364507708 954704995 /nfs/dbraw/zinc/70/49/95/954704995.db2.gz VGHVINYRRRFPDD-NSHDSACASA-N -1 3 285.351 1.524 10 0 CDAEHM CC(C)[C@H](NC(N)=O)C(=O)Nc1c([O-])cccc1Cl ZINC001298550984 955206032 /nfs/dbraw/zinc/20/60/32/955206032.db2.gz QNQUNRUVVSYNTP-VIFPVBQESA-N -1 3 285.731 1.677 10 0 CDAEHM O=c1[n-]c(C2CC2)nc2c1CN(C[C@H](O)C(F)(F)F)C2 ZINC001422188319 955825792 /nfs/dbraw/zinc/82/57/92/955825792.db2.gz ANRJCAGCZMWHBP-VIFPVBQESA-N -1 3 289.257 1.298 10 0 CDAEHM CC(C)(C)OC(=O)[C@@H](C1CC1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001365324073 955900131 /nfs/dbraw/zinc/90/01/31/955900131.db2.gz ODACSWUUJLTHHU-WDEREUQCSA-N -1 3 293.371 1.109 10 0 CDAEHM CC(C)(C)OC(=O)[C@@H](C1CC1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001365324073 955900138 /nfs/dbraw/zinc/90/01/38/955900138.db2.gz ODACSWUUJLTHHU-WDEREUQCSA-N -1 3 293.371 1.109 10 0 CDAEHM O=C([N-]c1ncn(Cc2cccnc2)n1)c1cscn1 ZINC001318308087 958023280 /nfs/dbraw/zinc/02/32/80/958023280.db2.gz UTHPEKDIICUFRN-UHFFFAOYSA-N -1 3 286.320 1.430 10 0 CDAEHM Cn1ccnc1CNCCc1ccc(OCC(=O)[O-])cc1 ZINC001334017795 958770058 /nfs/dbraw/zinc/77/00/58/958770058.db2.gz WNZIIUNDFPBVKK-UHFFFAOYSA-N -1 3 289.335 1.216 10 0 CDAEHM C[C@H](CNC(=O)c1ncccc1[O-])NCc1cncs1 ZINC001419730027 962044360 /nfs/dbraw/zinc/04/43/60/962044360.db2.gz ICAUDMZPFMFWGV-SECBINFHSA-N -1 3 292.364 1.152 10 0 CDAEHM Cc1ccn2c(c1)nnc2[N-]C(=O)c1c(F)ccnc1F ZINC001435480570 962062935 /nfs/dbraw/zinc/06/29/35/962062935.db2.gz WPWKSWVWURUOIZ-UHFFFAOYSA-N -1 3 289.245 1.963 10 0 CDAEHM CCCn1cc(CN[C@@](C)(CC(=O)[O-])C2CC2)nn1 ZINC001339151458 962206202 /nfs/dbraw/zinc/20/62/02/962206202.db2.gz KPFBBRABFNOWBB-ZDUSSCGKSA-N -1 3 266.345 1.421 10 0 CDAEHM C/C(=C/C(=O)N1CCC(Cc2nnn[n-]2)CC1)C1CC1 ZINC001348065534 965807149 /nfs/dbraw/zinc/80/71/49/965807149.db2.gz SVLDVRAZNGECPW-NTMALXAHSA-N -1 3 275.356 1.337 10 0 CDAEHM C/C(=C/C(=O)N1CCC(Cc2nn[n-]n2)CC1)C1CC1 ZINC001348065534 965807153 /nfs/dbraw/zinc/80/71/53/965807153.db2.gz SVLDVRAZNGECPW-NTMALXAHSA-N -1 3 275.356 1.337 10 0 CDAEHM O=C(Cc1ccnc(F)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC001540505849 967145668 /nfs/dbraw/zinc/14/56/68/967145668.db2.gz XMWSCRVHTQRLRT-UHFFFAOYSA-N -1 3 298.281 1.582 10 0 CDAEHM O=C(Cc1ccnc(F)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC001540505849 967145676 /nfs/dbraw/zinc/14/56/76/967145676.db2.gz XMWSCRVHTQRLRT-UHFFFAOYSA-N -1 3 298.281 1.582 10 0 CDAEHM CCCC(C)(C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001542942229 967254616 /nfs/dbraw/zinc/25/46/16/967254616.db2.gz UFYAIKGXTBYINS-SNVBAGLBSA-N -1 3 253.346 1.441 10 0 CDAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCC1(C)CC1 ZINC001542941930 967254737 /nfs/dbraw/zinc/25/47/37/967254737.db2.gz KFQDJWPFBYFHQU-JTQLQIEISA-N -1 3 251.330 1.195 10 0 CDAEHM CCCn1cc(NC(=O)c2cc(F)cc3n[n-]nc32)cn1 ZINC001544583689 967369000 /nfs/dbraw/zinc/36/90/00/967369000.db2.gz OOZRRYPCHXAAQL-UHFFFAOYSA-N -1 3 288.286 1.956 10 0 CDAEHM CC(=O)c1cccc(NC(=O)c2ccc3nnnn3c2)c1[O-] ZINC001450607077 967754644 /nfs/dbraw/zinc/75/46/44/967754644.db2.gz 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CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000040469947 539147560 /nfs/dbraw/zinc/14/75/60/539147560.db2.gz GLWHXTVBPXRFPH-RDDDGLTNSA-N -1 3 266.297 1.402 10 0 CDAEHM CCc1cc(C(=O)N2CCC[C@@H]2C(=O)NC)ccc1[O-] ZINC000291555455 529513055 /nfs/dbraw/zinc/51/30/55/529513055.db2.gz QUZVBJRUKPAQET-GFCCVEGCSA-N -1 3 276.336 1.305 10 0 CDAEHM C[C@@H]1C[C@H]1NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000075510795 342311430 /nfs/dbraw/zinc/31/14/30/342311430.db2.gz YIHRBWDIRUYPOD-GMSGAONNSA-N -1 3 286.328 1.335 10 0 CDAEHM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1csc(=O)[n-]1 ZINC000329922050 362093306 /nfs/dbraw/zinc/09/33/06/362093306.db2.gz GCAPYZBWBKRCBQ-NKWVEPMBSA-N -1 3 269.326 1.625 10 0 CDAEHM Cc1cn2c(n1)C[C@@H](C(=O)NCc1ncccc1[O-])CC2 ZINC000626738383 346965531 /nfs/dbraw/zinc/96/55/31/346965531.db2.gz SDMJAYMKINWFPI-NSHDSACASA-N -1 3 286.335 1.171 10 0 CDAEHM COC(=O)[C@H]1C[C@@H](N(C)C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000598422798 343786598 /nfs/dbraw/zinc/78/65/98/343786598.db2.gz 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IZTZDMKRNUXTDV-UHFFFAOYSA-N -1 3 273.296 1.810 10 0 CDAEHM C[C@H]1C[C@H](CNC(=O)CC[C@@H]2NC(=O)[N-]C2=O)C[C@@H](C)C1 ZINC000617664727 345904333 /nfs/dbraw/zinc/90/43/33/345904333.db2.gz OSFFLBXFZPCZLA-QCNOEVLYSA-N -1 3 295.383 1.163 10 0 CDAEHM C[C@H]1CC(CNC(=O)CC[C@@H]2NC(=O)[N-]C2=O)C[C@H](C)C1 ZINC000617664725 345904360 /nfs/dbraw/zinc/90/43/60/345904360.db2.gz OSFFLBXFZPCZLA-FOGDFJRCSA-N -1 3 295.383 1.163 10 0 CDAEHM CNC(=O)CCOC(=O)c1cc(-c2cccs2)[n-]n1 ZINC000075094148 346093362 /nfs/dbraw/zinc/09/33/62/346093362.db2.gz VANWQURTFHICCE-UHFFFAOYSA-N -1 3 279.321 1.431 10 0 CDAEHM CNC(=O)CCOC(=O)c1cc(-c2cccs2)n[n-]1 ZINC000075094148 346093365 /nfs/dbraw/zinc/09/33/65/346093365.db2.gz VANWQURTFHICCE-UHFFFAOYSA-N -1 3 279.321 1.431 10 0 CDAEHM Cc1ccccc1CO[C@@H](C)C(=O)[N-]c1nncn1C ZINC000626466195 346145990 /nfs/dbraw/zinc/14/59/90/346145990.db2.gz NLEKBAJDWVZFFA-NSHDSACASA-N -1 3 274.324 1.667 10 0 CDAEHM CC(C)(C)SCC(=O)Nc1nnc(SCCO)[n-]1 ZINC000268651132 535027591 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179053821 /nfs/dbraw/zinc/05/38/21/179053821.db2.gz CTGHCPKQWXALKZ-UHFFFAOYSA-N -1 3 296.273 1.882 10 0 CDAEHM C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H]1O ZINC000351945560 362699196 /nfs/dbraw/zinc/69/91/96/362699196.db2.gz RKKJLCYLFNQERX-MWLCHTKSSA-N -1 3 299.330 1.894 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCOC[C@@H]2CCCO2)o1 ZINC000540204495 282501557 /nfs/dbraw/zinc/50/15/57/282501557.db2.gz GHMHTHCUMDICCF-NSHDSACASA-N -1 3 289.353 1.062 10 0 CDAEHM Cc1ccc2nc(NC(=O)[C@H](N)CC(=O)[O-])sc2c1 ZINC000085810932 179177903 /nfs/dbraw/zinc/17/79/03/179177903.db2.gz OXNFCDSWXLIIND-SSDOTTSWSA-N -1 3 279.321 1.345 10 0 CDAEHM CSc1ccc(CN(C)C(=O)[C@@H](N)CCC(=O)[O-])cc1 ZINC000085820346 179184283 /nfs/dbraw/zinc/18/42/83/179184283.db2.gz MFERUZRQJCQTHT-LBPRGKRZSA-N -1 3 296.392 1.559 10 0 CDAEHM N[C@H](CC(=O)[O-])C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000085814113 179179109 /nfs/dbraw/zinc/17/91/09/179179109.db2.gz SAHRBTVRIZZHCK-BXUZGUMPSA-N -1 3 288.303 1.287 10 0 CDAEHM 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1.645 10 0 CDAEHM C[C@@H]1CC[C@@H](CCC(=O)NCc2ncccc2[O-])O1 ZINC000331030465 376540140 /nfs/dbraw/zinc/54/01/40/376540140.db2.gz YWLBGLJPTXNSTA-MNOVXSKESA-N -1 3 264.325 1.751 10 0 CDAEHM CCC[C@@H](CC)[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631814201 376629506 /nfs/dbraw/zinc/62/95/06/376629506.db2.gz FOZGJRXBPJNCJC-SSDOTTSWSA-N -1 3 264.372 1.706 10 0 CDAEHM Cc1nc(S(=O)(=O)[N-]c2c(F)cccc2F)c[nH]1 ZINC000070069413 376747688 /nfs/dbraw/zinc/74/76/88/376747688.db2.gz CEGOIUPOYVIXPB-UHFFFAOYSA-N -1 3 273.264 1.797 10 0 CDAEHM O=C([O-])[C@H]1CNCCN1c1nc2ccccc2nc1Cl ZINC000095073762 304198724 /nfs/dbraw/zinc/19/87/24/304198724.db2.gz SOOUPZIHRFWQEW-SNVBAGLBSA-N -1 3 292.726 1.146 10 0 CDAEHM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631906051 376798360 /nfs/dbraw/zinc/79/83/60/376798360.db2.gz BFZFPDODBZVIML-BQBZGAKWSA-N -1 3 262.356 1.316 10 0 CDAEHM O=S(=O)(N[C@@H]1CCCNC1)c1cccc(Cl)c1[O-] ZINC000631900557 376793148 /nfs/dbraw/zinc/79/31/48/376793148.db2.gz FJECWYKDNVLHFU-MRVPVSSYSA-N 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Cc1ccc(C(=O)N2CC[C@](O)(C(F)F)C2)c([O-])c1C ZINC000334534609 378901011 /nfs/dbraw/zinc/90/10/11/378901011.db2.gz WEXUFDVDPMRNIW-CQSZACIVSA-N -1 3 285.290 1.851 10 0 CDAEHM COc1ccc([O-])c(C(=O)N2C[C@@H](OC)C[C@]2(C)CO)c1 ZINC000634060360 379002893 /nfs/dbraw/zinc/00/28/93/379002893.db2.gz GELLLTGPIKSGST-XHDPSFHLSA-N -1 3 295.335 1.013 10 0 CDAEHM CCN(Cc1occc1C(=O)[O-])[C@H]1CCCOC1 ZINC000402622359 412908176 /nfs/dbraw/zinc/90/81/76/412908176.db2.gz VPDHGAHMARNGHQ-JTQLQIEISA-N -1 3 253.298 1.979 10 0 CDAEHM C[C@H](C[N-]S(=O)(=O)c1ccn(C)n1)C1CCCCC1 ZINC000660080514 412911737 /nfs/dbraw/zinc/91/17/37/412911737.db2.gz LDEQBCCECZXFRF-LLVKDONJSA-N -1 3 285.413 1.915 10 0 CDAEHM COc1cc(C(=O)NCCN2CCCC2)cc(Cl)c1[O-] ZINC000344278106 379399417 /nfs/dbraw/zinc/39/94/17/379399417.db2.gz WTGDXXANMRGNGC-UHFFFAOYSA-N -1 3 298.770 1.880 10 0 CDAEHM CC[C@@H](O)CC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000450153868 251153766 /nfs/dbraw/zinc/15/37/66/251153766.db2.gz YHSPXFJDINIGIM-LLVKDONJSA-N -1 3 295.289 1.876 10 0 CDAEHM CC[C@H](NC(=O)c1cccc(C)c1[O-])[C@H](O)C(F)F ZINC000452507554 252081560 /nfs/dbraw/zinc/08/15/60/252081560.db2.gz VBTXITHGNIEJIL-ONGXEEELSA-N -1 3 273.279 1.835 10 0 CDAEHM CC(C)C[C@H](CNC(=O)[C@@]1(C)CCCCN1)CC(=O)[O-] ZINC000133508890 412972397 /nfs/dbraw/zinc/97/23/97/412972397.db2.gz ZNRIONDUHCKEHH-SWLSCSKDSA-N -1 3 284.400 1.772 10 0 CDAEHM Cn1[n-]c([C@H]2CCCN2c2ncnc3ccccc32)nc1=N ZINC000663961146 412980668 /nfs/dbraw/zinc/98/06/68/412980668.db2.gz FGWHWYYGTONATF-GFCCVEGCSA-N -1 3 295.350 1.512 10 0 CDAEHM CN1C[C@@H]2CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)[C@@H]2C1 ZINC000646925039 390295219 /nfs/dbraw/zinc/29/52/19/390295219.db2.gz MYPMLQFSKLPQPX-QPUJVOFHSA-N -1 3 298.745 1.961 10 0 CDAEHM C[C@H]1CC[C@@H](C(=O)Nc2nnc(-c3ccco3)[n-]2)O1 ZINC000152084614 390556557 /nfs/dbraw/zinc/55/65/57/390556557.db2.gz NDKQLJILUGNUTG-CBAPKCEASA-N -1 3 262.269 1.571 10 0 CDAEHM C[C@H]1CC[C@@H](C(=O)Nc2nc(-c3ccco3)n[n-]2)O1 ZINC000152084614 390556559 /nfs/dbraw/zinc/55/65/59/390556559.db2.gz NDKQLJILUGNUTG-CBAPKCEASA-N -1 3 262.269 1.571 10 0 CDAEHM C[C@H]1CC[C@@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)O1 ZINC000152084614 390556562 /nfs/dbraw/zinc/55/65/62/390556562.db2.gz NDKQLJILUGNUTG-CBAPKCEASA-N -1 3 262.269 1.571 10 0 CDAEHM C[C@@H](F)CCNc1cc(=NCC[C@H](C)F)nc2nc[n-]n21 ZINC000338751660 390943989 /nfs/dbraw/zinc/94/39/89/390943989.db2.gz OVEGFNMUJIZLPQ-VHSXEESVSA-N -1 3 298.341 1.866 10 0 CDAEHM O=c1cc(-c2noc(C=C[C@H]3CCCO3)n2)nc[n-]1 ZINC000647418502 390958745 /nfs/dbraw/zinc/95/87/45/390958745.db2.gz AYKQOYUTXGDRIV-TUUFMJSCSA-N -1 3 260.253 1.424 10 0 CDAEHM COc1cccc(C(=O)N2CCN(CCCF)CC2)c1[O-] ZINC000402814488 390927492 /nfs/dbraw/zinc/92/74/92/390927492.db2.gz CTXKJUIZCYBZLL-UHFFFAOYSA-N -1 3 296.342 1.518 10 0 CDAEHM CC(C)(C(=O)[N-]c1nnc2[nH]cnn12)c1ccccc1F ZINC000647737141 391027620 /nfs/dbraw/zinc/02/76/20/391027620.db2.gz DYUDHOVGGBVMLL-UHFFFAOYSA-N -1 3 288.286 1.508 10 0 CDAEHM CC(C)(O)C(C)(C)NC(=O)c1cccc2nn[n-]c21 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280756056 /nfs/dbraw/zinc/75/60/56/280756056.db2.gz OAFODDFCFWSXAA-SNVBAGLBSA-N -1 3 252.362 1.995 10 0 CDAEHM CC[C@H]1CCN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000515461610 280900370 /nfs/dbraw/zinc/90/03/70/280900370.db2.gz AOKBHHJFLGUKGS-NSHDSACASA-N -1 3 262.309 1.133 10 0 CDAEHM Cc1ccc([O-])c(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)n1 ZINC000516713397 280941479 /nfs/dbraw/zinc/94/14/79/280941479.db2.gz MYCZVXVKSJPPEN-OCCSQVGLSA-N -1 3 296.392 1.247 10 0 CDAEHM O=C(CC[C@@H]1CCCO1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527499188 281145430 /nfs/dbraw/zinc/14/54/30/281145430.db2.gz OMXVPJFVDTYMHU-CMPLNLGQSA-N -1 3 279.340 1.581 10 0 CDAEHM Cc1nnc([C@H](C)[N-]S(=O)(=O)N2CCC[C@H](C)C2)o1 ZINC000532350271 281966215 /nfs/dbraw/zinc/96/62/15/281966215.db2.gz XIGQPEUEYPQNCB-IUCAKERBSA-N -1 3 288.373 1.005 10 0 CDAEHM COc1cc(=NC(=O)c2coc3ccccc23)[n-]n1C ZINC000547493136 289780222 /nfs/dbraw/zinc/78/02/22/289780222.db2.gz KOLDGYVNDZQLJO-UHFFFAOYSA-N -1 3 271.276 1.849 10 0 CDAEHM 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10 0 CDAEHM O=C(N=c1cc2ccccn2[n-]1)[C@H]1CCCOCC1 ZINC000557536676 290351705 /nfs/dbraw/zinc/35/17/05/290351705.db2.gz HCWZHWYPLDLMNY-NSHDSACASA-N -1 3 259.309 1.511 10 0 CDAEHM Cn1cccc(C(=O)Nc2c([O-])cccc2Cl)c1=O ZINC000560820719 293034983 /nfs/dbraw/zinc/03/49/83/293034983.db2.gz MUPBJSRMDNWIPI-UHFFFAOYSA-N -1 3 278.695 1.997 10 0 CDAEHM COc1cc(=NC(=O)NC[C@@H]2CCCSC2)[n-]n1C ZINC000562266745 293122561 /nfs/dbraw/zinc/12/25/61/293122561.db2.gz LPHAKSPJADOCSB-VIFPVBQESA-N -1 3 284.385 1.115 10 0 CDAEHM CCCCCNC(=O)CN1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000563123167 293282193 /nfs/dbraw/zinc/28/21/93/293282193.db2.gz CIUJQWDAOXHZSK-NWDGAFQWSA-N -1 3 270.373 1.335 10 0 CDAEHM Cn1cccc(C(=O)N2CCCc3cccc([O-])c32)c1=O ZINC000272444683 294365681 /nfs/dbraw/zinc/36/56/81/294365681.db2.gz IYGFONGZXSIAFM-UHFFFAOYSA-N -1 3 284.315 1.684 10 0 CDAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000571259061 294397227 /nfs/dbraw/zinc/39/72/27/294397227.db2.gz PPBYNYOGBPBXRB-IAZYJMLFSA-N -1 3 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520714217 /nfs/dbraw/zinc/71/42/17/520714217.db2.gz DMMYBIHXEDYFCP-JTQLQIEISA-N -1 3 265.309 1.854 10 0 CDAEHM CCN(CC)C[C@H](C)n1ccc(=O)nc1SCC(=O)[O-] ZINC000052313854 520737078 /nfs/dbraw/zinc/73/70/78/520737078.db2.gz RTVMYDJNJDJKMR-JTQLQIEISA-N -1 3 299.396 1.323 10 0 CDAEHM CCCC[C@@H](NC(=O)[C@H](CN)c1ccccc1)C(=O)[O-] ZINC000061612497 521086268 /nfs/dbraw/zinc/08/62/68/521086268.db2.gz MBSJYYUEUMZWPU-CHWSQXEVSA-N -1 3 278.352 1.489 10 0 CDAEHM CCCc1cc(=O)[n-]c(Sc2ccnc(C(=N)N)c2)n1 ZINC000061814689 521384322 /nfs/dbraw/zinc/38/43/22/521384322.db2.gz XTXOYUTWELDKBF-UHFFFAOYSA-N -1 3 289.364 1.965 10 0 CDAEHM CCN1CCC[C@@H](NC(=O)N2CCCC[C@@H]2C(=O)[O-])C1 ZINC000049227648 521619843 /nfs/dbraw/zinc/61/98/43/521619843.db2.gz CMVILZZGVRZXNI-VXGBXAGGSA-N -1 3 283.372 1.119 10 0 CDAEHM CCCN(CCN(C)C)C(=O)C[C@](C)(C(=O)[O-])C(C)C ZINC000045695024 521654056 /nfs/dbraw/zinc/65/40/56/521654056.db2.gz AGBMNUWQIWDUQD-HNNXBMFYSA-N -1 3 286.416 1.924 10 0 CDAEHM COCc1nnc(Sc2nc([C@H](C)OC)ns2)[n-]1 ZINC000337878854 523215817 /nfs/dbraw/zinc/21/58/17/523215817.db2.gz SLCWGFYQXDOUAB-YFKPBYRVSA-N -1 3 287.370 1.661 10 0 CDAEHM COCc1n[n-]c(Sc2nc([C@H](C)OC)ns2)n1 ZINC000337878854 523215827 /nfs/dbraw/zinc/21/58/27/523215827.db2.gz SLCWGFYQXDOUAB-YFKPBYRVSA-N -1 3 287.370 1.661 10 0 CDAEHM COCc1nc(Sc2nc([C@H](C)OC)ns2)n[n-]1 ZINC000337878854 523215834 /nfs/dbraw/zinc/21/58/34/523215834.db2.gz SLCWGFYQXDOUAB-YFKPBYRVSA-N -1 3 287.370 1.661 10 0 CDAEHM COC(=O)Cc1n[n-]c(NC(=O)[C@H](C)CC(C)C)n1 ZINC000184795087 523380288 /nfs/dbraw/zinc/38/02/88/523380288.db2.gz NTXLXOFAHGGCNQ-MRVPVSSYSA-N -1 3 268.317 1.141 10 0 CDAEHM COC(=O)Cc1nnc(NC(=O)[C@H](C)CC(C)C)[n-]1 ZINC000184795087 523380295 /nfs/dbraw/zinc/38/02/95/523380295.db2.gz NTXLXOFAHGGCNQ-MRVPVSSYSA-N -1 3 268.317 1.141 10 0 CDAEHM COC(=O)Cc1nc(NC(=O)[C@H](C)CC(C)C)n[n-]1 ZINC000184795087 523380303 /nfs/dbraw/zinc/38/03/03/523380303.db2.gz NTXLXOFAHGGCNQ-MRVPVSSYSA-N -1 3 268.317 1.141 10 0 CDAEHM CN(c1cc(N)ccc1C(=O)[O-])[C@@H]1CCCN(C)C1 ZINC000069514934 523631885 /nfs/dbraw/zinc/63/18/85/523631885.db2.gz AGRVTCVAFAQIOW-LLVKDONJSA-N -1 3 263.341 1.497 10 0 CDAEHM CC[C@H](C)N(CC(=O)[O-])C(=O)N1CCC[C@@H]1CN(C)C ZINC000061654157 523929083 /nfs/dbraw/zinc/92/90/83/523929083.db2.gz UIZVZSFTVDOAGQ-NWDGAFQWSA-N -1 3 285.388 1.318 10 0 CDAEHM CN1CC[C@@H](Nc2nc3c(cc2C(=O)[O-])CCC3)C1 ZINC000054531267 523969235 /nfs/dbraw/zinc/96/92/35/523969235.db2.gz NEAXOIKGFMJJPB-SNVBAGLBSA-N -1 3 261.325 1.385 10 0 CDAEHM COC(=O)[C@]1(C)CCN(C(=O)c2cccc([O-])c2)C1 ZINC000182610281 524011256 /nfs/dbraw/zinc/01/12/56/524011256.db2.gz NFMAUXPRKMRWLR-CQSZACIVSA-N -1 3 263.293 1.417 10 0 CDAEHM Cc1cccc(C(=O)[O-])c1NC(=O)NCCN1CCCC1 ZINC000054109469 524225782 /nfs/dbraw/zinc/22/57/82/524225782.db2.gz ZLHSWCOZJAWQBI-UHFFFAOYSA-N -1 3 291.351 1.911 10 0 CDAEHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1F)C(N)=S ZINC000054154390 524747069 /nfs/dbraw/zinc/74/70/69/524747069.db2.gz AMXTYHSILWDKIR-ZETCQYMHSA-N -1 3 276.358 1.026 10 0 CDAEHM CSC[C@@](C)(O)CNC(=O)c1cccc([O-])c1 ZINC000182486329 525662350 /nfs/dbraw/zinc/66/23/50/525662350.db2.gz LAUBSGCODZUPMB-LBPRGKRZSA-N -1 3 255.339 1.236 10 0 CDAEHM Cc1cnn(CC[N-]S(=O)(=O)c2c(C)cccc2F)c1 ZINC000184752092 526263177 /nfs/dbraw/zinc/26/31/77/526263177.db2.gz PFTHJDNYBYIGDC-UHFFFAOYSA-N -1 3 297.355 1.618 10 0 CDAEHM O=C([O-])c1c2ccccc2oc1CN1CC[C@@H](O)C1 ZINC000061710773 526339905 /nfs/dbraw/zinc/33/99/05/526339905.db2.gz ZAVCDJUGWCNQIE-SECBINFHSA-N -1 3 261.277 1.698 10 0 CDAEHM O=C([O-])c1ccc(NC(=O)CNC2CC2)c(F)c1 ZINC000063009918 526375089 /nfs/dbraw/zinc/37/50/89/526375089.db2.gz COQOWSQWJMFMKT-UHFFFAOYSA-N -1 3 252.245 1.214 10 0 CDAEHM Cc1nc(C(=O)N2CCC[C@H]2CN(C)C)ccc1C(=O)[O-] ZINC000061655514 526641079 /nfs/dbraw/zinc/64/10/79/526641079.db2.gz CUWHEWNGKCMKPZ-NSHDSACASA-N -1 3 291.351 1.254 10 0 CDAEHM Nc1cc(F)ccc1Cn1[n-]c(=O)c2ccccc2c1=O ZINC000069399955 527454559 /nfs/dbraw/zinc/45/45/59/527454559.db2.gz FTASOYPYDMZLSR-UHFFFAOYSA-N -1 3 285.278 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272.308 1.255 10 0 CDAEHM C[C@@H]1CN(C(=O)c2cccc3n[n-]nc32)C[C@@H](C)C1=O ZINC000618098054 342219691 /nfs/dbraw/zinc/21/96/91/342219691.db2.gz UOFUFFXFKQHZQU-RKDXNWHRSA-N -1 3 272.308 1.255 10 0 CDAEHM COC(=O)CC(C)(C)CC(=O)NCc1ncccc1[O-] ZINC000619423207 342218287 /nfs/dbraw/zinc/21/82/87/342218287.db2.gz AVTRYMKMILRCIW-UHFFFAOYSA-N -1 3 280.324 1.383 10 0 CDAEHM CCn1nc(C)cc1NC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000600605075 342239167 /nfs/dbraw/zinc/23/91/67/342239167.db2.gz KFNYTZBVLRGQLQ-UHFFFAOYSA-N -1 3 276.296 1.578 10 0 CDAEHM CCn1ccnc1Cc1nc2ccc([O-])cc2c(=O)[nH]1 ZINC000351859642 539094897 /nfs/dbraw/zinc/09/48/97/539094897.db2.gz GHPYQUYXIMJOBF-UHFFFAOYSA-N -1 3 270.292 1.848 10 0 CDAEHM CCOC(=O)[C@H](NC(=O)c1c[n-]nn1)C1CCCCCC1 ZINC000594408385 342900957 /nfs/dbraw/zinc/90/09/57/342900957.db2.gz CXUKJJINTPHWCL-GFCCVEGCSA-N -1 3 294.355 1.437 10 0 CDAEHM CCOC(=O)[C@H](NC(=O)c1cnn[n-]1)C1CCCCCC1 ZINC000594408385 342900958 /nfs/dbraw/zinc/90/09/58/342900958.db2.gz 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CDAEHM Cc1cccc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c1[O-] ZINC000042439106 358944976 /nfs/dbraw/zinc/94/49/76/358944976.db2.gz CCBPMMOZPKGENV-GHMZBOCLSA-N -1 3 276.336 1.427 10 0 CDAEHM Cc1cc([C@H](C)NC(=O)CN2CC(=O)[N-]C2=O)c(C)s1 ZINC000111562417 359241419 /nfs/dbraw/zinc/24/14/19/359241419.db2.gz TYWOJINHVQAJOO-QMMMGPOBSA-N -1 3 295.364 1.094 10 0 CDAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC(C3CC3)C2)c1 ZINC000643288431 359356430 /nfs/dbraw/zinc/35/64/30/359356430.db2.gz ZWFFAQCFOIIDFG-UHFFFAOYSA-N -1 3 274.320 1.833 10 0 CDAEHM Cc1n[nH]cc1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000038011731 359470866 /nfs/dbraw/zinc/47/08/66/359470866.db2.gz IRIFBSCRVFFOSF-UHFFFAOYSA-N -1 3 282.303 1.490 10 0 CDAEHM Cc1cnc(C(=O)N2CCN3CCCC[C@@H]3C2)c([O-])c1 ZINC000408222938 359507775 /nfs/dbraw/zinc/50/77/75/359507775.db2.gz GKUJWXSBTPZJMI-GFCCVEGCSA-N -1 3 275.352 1.406 10 0 CDAEHM Cc1ccc(C(=O)NCC[C@H](C)[S@](C)=O)c([O-])c1C ZINC000158180420 237127158 /nfs/dbraw/zinc/12/71/58/237127158.db2.gz 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COc1cc(=NC(=O)NCc2ccc(C)c(C)n2)[n-]n1C ZINC000515042521 360434125 /nfs/dbraw/zinc/43/41/25/360434125.db2.gz LXNHIKZCLXLYEL-UHFFFAOYSA-N -1 3 289.339 1.184 10 0 CDAEHM CN(C)[C@H]1CCCN(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000106363967 360566939 /nfs/dbraw/zinc/56/69/39/360566939.db2.gz IPMWTXPEWUONIZ-JTQLQIEISA-N -1 3 284.306 1.837 10 0 CDAEHM Cc1nc(C)c(CCC(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c(=O)[n-]1 ZINC000515958510 360547849 /nfs/dbraw/zinc/54/78/49/360547849.db2.gz VSBHULCUTUFFHR-IMRBUKKESA-N -1 3 275.352 1.646 10 0 CDAEHM Cc1cc(COCC(=O)Nc2ccccc2[O-])on1 ZINC000338164187 360715908 /nfs/dbraw/zinc/71/59/08/360715908.db2.gz RVJGPPSZNNSOMT-UHFFFAOYSA-N -1 3 262.265 1.844 10 0 CDAEHM CC(C)[C@H]1CCN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000408400252 360809206 /nfs/dbraw/zinc/80/92/06/360809206.db2.gz QEMGNTRRNNQEHK-SNVBAGLBSA-N -1 3 264.329 1.119 10 0 CDAEHM CCC(NC(=O)CC[C@H]1NC(=O)[N-]C1=O)(C1CC1)C1CC1 ZINC000628606915 360855948 /nfs/dbraw/zinc/85/59/48/360855948.db2.gz UJBLULZOBVBYGW-LLVKDONJSA-N -1 3 293.367 1.060 10 0 CDAEHM CNC(=O)c1cccc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000566677809 360908710 /nfs/dbraw/zinc/90/87/10/360908710.db2.gz GIQYSVPKFUNZHY-RISCZKNCSA-N -1 3 290.363 1.589 10 0 CDAEHM C[C@@H](O)CCN=c1cc(-c2ccccc2)n2[n-]cnc2n1 ZINC000631118614 360974634 /nfs/dbraw/zinc/97/46/34/360974634.db2.gz BKHZDCFWSMUYIO-LLVKDONJSA-N -1 3 283.335 1.396 10 0 CDAEHM NC(=O)c1csc(=NC[C@H]2C[C@@H]2c2ccccc2)[n-]1 ZINC000338769712 361017935 /nfs/dbraw/zinc/01/79/35/361017935.db2.gz YMQPKHVRNRHVFL-GHMZBOCLSA-N -1 3 273.361 1.880 10 0 CDAEHM C[C@H]1C[C@H](NC(=O)c2cc(=O)[n-]c(N(C)C)n2)C[C@@H](C)C1 ZINC000338796902 361020364 /nfs/dbraw/zinc/02/03/64/361020364.db2.gz JAOXOLBCBFSQNC-URLYPYJESA-N -1 3 292.383 1.803 10 0 CDAEHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000566738051 361061257 /nfs/dbraw/zinc/06/12/57/361061257.db2.gz RKBXYSFTBRTIRT-OUAUKWLOSA-N -1 3 270.373 1.332 10 0 CDAEHM C[C@H](CN=c1[n-]c(C(N)=O)cs1)c1ccccc1 ZINC000432135297 361111961 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CC(C)C[C@@H](C(=O)[O-])N(C)C[C@H](C)CS(C)(=O)=O ZINC000580202332 364877216 /nfs/dbraw/zinc/87/72/16/364877216.db2.gz XDGGPKGEISAJLU-QWRGUYRKSA-N -1 3 279.402 1.098 10 0 CDAEHM O=C(NCc1ncccc1[O-])NC[C@H]1CCCOC1 ZINC000471659327 364944793 /nfs/dbraw/zinc/94/47/93/364944793.db2.gz PSQVBXUKMLTWJR-SNVBAGLBSA-N -1 3 265.313 1.013 10 0 CDAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)CC1CC1 ZINC000112707712 364974232 /nfs/dbraw/zinc/97/42/32/364974232.db2.gz AONZGILWJBTWTK-ZETCQYMHSA-N -1 3 258.343 1.758 10 0 CDAEHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1cccc([O-])c1 ZINC000272769480 365389465 /nfs/dbraw/zinc/38/94/65/365389465.db2.gz RZWCIELJPPAADK-MHNGPXOMSA-N -1 3 267.350 1.374 10 0 CDAEHM COC(C)(C)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000172160931 365482155 /nfs/dbraw/zinc/48/21/55/365482155.db2.gz UYKRUCXLFRZFED-UHFFFAOYSA-N -1 3 278.287 1.974 10 0 CDAEHM CC(C)N1C(=O)CN(C(=O)c2cccc([O-])c2)CC1(C)C ZINC000357370839 366953792 /nfs/dbraw/zinc/95/37/92/366953792.db2.gz VANATGJBRLVWJV-UHFFFAOYSA-N -1 3 290.363 1.864 10 0 CDAEHM Cc1n[n-]c(=NC(=O)NC[C@H](N)c2ccccc2)s1 ZINC000414718823 241351487 /nfs/dbraw/zinc/35/14/87/241351487.db2.gz SRJLMOQJTRMONW-JTQLQIEISA-N -1 3 277.353 1.090 10 0 CDAEHM CCS(=O)(=O)[N-]Cc1nc([C@@H](C)C2CC2)no1 ZINC000357602029 367091640 /nfs/dbraw/zinc/09/16/40/367091640.db2.gz FHUHLJVAPIMYDD-ZETCQYMHSA-N -1 3 259.331 1.022 10 0 CDAEHM Cn1cc(C(=O)NCc2ncccc2[O-])c(C2CCC2)n1 ZINC000566960810 370848814 /nfs/dbraw/zinc/84/88/14/370848814.db2.gz LDCLBQFFLNFRMV-UHFFFAOYSA-N -1 3 286.335 1.718 10 0 CDAEHM O=C(NC[C@H](CO)C1CC1)c1cc([O-])ccc1Cl ZINC000357833385 367243541 /nfs/dbraw/zinc/24/35/41/367243541.db2.gz VDRIFJUZKDHEOV-SECBINFHSA-N -1 3 269.728 1.794 10 0 CDAEHM CC1(C)CN(C(=O)c2cccc([O-])c2)C[C@]2(CCOC2)O1 ZINC000280394811 367379130 /nfs/dbraw/zinc/37/91/30/367379130.db2.gz DWASPFZAXTUDNL-INIZCTEOSA-N -1 3 291.347 1.802 10 0 CDAEHM CCN(C)S(=O)(=O)[N-]c1cn(C)nc1C(C)C ZINC000280841950 367561277 /nfs/dbraw/zinc/56/12/77/367561277.db2.gz ASUPVIRUJPTZFY-UHFFFAOYSA-N -1 3 260.363 1.152 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]Cc2cccc(C(N)=O)c2)o1 ZINC000358466358 367704036 /nfs/dbraw/zinc/70/40/36/367704036.db2.gz WNVSEIYFWHWJLG-UHFFFAOYSA-N -1 3 294.332 1.165 10 0 CDAEHM CCc1nnc(CNC(=O)NCc2ncccc2[O-])s1 ZINC000358448133 367689930 /nfs/dbraw/zinc/68/99/30/367689930.db2.gz BCEGXHUZBXRCHY-UHFFFAOYSA-N -1 3 293.352 1.201 10 0 CDAEHM O=S(=O)([N-][C@@H](c1ccccn1)C1CCC1)C1COC1 ZINC000528505740 367869126 /nfs/dbraw/zinc/86/91/26/367869126.db2.gz XZFHVECKLHQEEB-CYBMUJFWSA-N -1 3 282.365 1.241 10 0 CDAEHM Cc1cc(S(=O)(=O)[N-]CC2COC2)sc1Cl ZINC000528566480 367901484 /nfs/dbraw/zinc/90/14/84/367901484.db2.gz WWFVCDAVPMRFFC-UHFFFAOYSA-N -1 3 281.786 1.635 10 0 CDAEHM Cc1ccncc1CN(C)c1nc2nncc-2c(O)[n-]1 ZINC000360088319 368108571 /nfs/dbraw/zinc/10/85/71/368108571.db2.gz NOEZFZHXHSSGEP-UHFFFAOYSA-N -1 3 270.296 1.398 10 0 CDAEHM O=C(c1csc(=O)[n-]1)N1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000530080530 368132478 /nfs/dbraw/zinc/13/24/78/368132478.db2.gz SFZCNZMHTHFUFI-VIFPVBQESA-N -1 3 292.320 1.322 10 0 CDAEHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1F)Cn1ccnc1 ZINC000360524719 368343018 /nfs/dbraw/zinc/34/30/18/368343018.db2.gz JUDMKWVOCYUWKX-NSHDSACASA-N -1 3 297.355 1.637 10 0 CDAEHM COc1cc(C(=O)NC(C)(C)C(C)(C)O)ccc1[O-] ZINC000275971166 193176956 /nfs/dbraw/zinc/17/69/56/193176956.db2.gz JXQMYUYIXPACEB-UHFFFAOYSA-N -1 3 267.325 1.680 10 0 CDAEHM COc1nc(NC(=O)C[C@@H]2CCCC[C@@H]2C)n[n-]1 ZINC000539815429 368482954 /nfs/dbraw/zinc/48/29/54/368482954.db2.gz OXMWZALZNYBPHF-IUCAKERBSA-N -1 3 252.318 1.968 10 0 CDAEHM COc1nnc(NC(=O)C[C@@H]2CCCC[C@@H]2C)[n-]1 ZINC000539815429 368482958 /nfs/dbraw/zinc/48/29/58/368482958.db2.gz OXMWZALZNYBPHF-IUCAKERBSA-N -1 3 252.318 1.968 10 0 CDAEHM COc1n[n-]c(NC(=O)C[C@@H]2CCCC[C@@H]2C)n1 ZINC000539815429 368482963 /nfs/dbraw/zinc/48/29/63/368482963.db2.gz OXMWZALZNYBPHF-IUCAKERBSA-N -1 3 252.318 1.968 10 0 CDAEHM Cc1ccc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)c(C)n1 ZINC000360832141 368510147 /nfs/dbraw/zinc/51/01/47/368510147.db2.gz 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/nfs/dbraw/zinc/68/45/79/368684579.db2.gz GUQTZDJFWULRDI-UHFFFAOYSA-N -1 3 274.284 1.035 10 0 CDAEHM CCC[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)C(N)=O ZINC000286306576 368772770 /nfs/dbraw/zinc/77/27/70/368772770.db2.gz JWWFCLIQBASNDM-ZDUSSCGKSA-N -1 3 290.363 1.655 10 0 CDAEHM CO[C@H](C[N-]S(=O)(=O)c1ccc(C)o1)C(C)C ZINC000330643277 203072072 /nfs/dbraw/zinc/07/20/72/203072072.db2.gz FFKMIPFJPAZIPZ-SNVBAGLBSA-N -1 3 261.343 1.537 10 0 CDAEHM Cc1ccc(S(=O)(=O)[N-]CCN2CCCCC2)o1 ZINC000330656602 203084814 /nfs/dbraw/zinc/08/48/14/203084814.db2.gz OVHNJSWEIZPZRP-UHFFFAOYSA-N -1 3 272.370 1.352 10 0 CDAEHM CC[C@H](CS(=O)(=O)[N-][C@H](C)c1nc(C)cs1)OC ZINC000420657351 244315011 /nfs/dbraw/zinc/31/50/11/244315011.db2.gz ATELWZASCDNNNV-NXEZZACHSA-N -1 3 292.426 1.857 10 0 CDAEHM CCc1ccc(C(=O)NC(C)(C)[C@H](C)O)c([O-])c1 ZINC000276398687 193314919 /nfs/dbraw/zinc/31/49/19/193314919.db2.gz UCGDSTCTABREFN-VIFPVBQESA-N -1 3 251.326 1.844 10 0 CDAEHM CCn1nc2c(cc1=O)CN(C(=O)c1cccc([O-])c1)CC2 ZINC000370365782 370029908 /nfs/dbraw/zinc/02/99/08/370029908.db2.gz MQJYPSVQDZEHCP-UHFFFAOYSA-N -1 3 299.330 1.167 10 0 CDAEHM CSc1nnc(NC(=O)[C@@H]2C[C@H](C)O[C@@H]2C)[n-]1 ZINC000630860490 370098833 /nfs/dbraw/zinc/09/88/33/370098833.db2.gz MMTLJLDJPBYLTP-RRKCRQDMSA-N -1 3 256.331 1.279 10 0 CDAEHM CSc1n[n-]c(NC(=O)[C@@H]2C[C@H](C)O[C@@H]2C)n1 ZINC000630860490 370098836 /nfs/dbraw/zinc/09/88/36/370098836.db2.gz MMTLJLDJPBYLTP-RRKCRQDMSA-N -1 3 256.331 1.279 10 0 CDAEHM CSc1nc(NC(=O)[C@@H]2C[C@H](C)O[C@@H]2C)n[n-]1 ZINC000630860490 370098840 /nfs/dbraw/zinc/09/88/40/370098840.db2.gz MMTLJLDJPBYLTP-RRKCRQDMSA-N -1 3 256.331 1.279 10 0 CDAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cccc(C2CCC2)c1 ZINC000291247019 370228248 /nfs/dbraw/zinc/22/82/48/370228248.db2.gz NGMKZJKLAYJTFW-UHFFFAOYSA-N -1 3 287.319 1.444 10 0 CDAEHM O=C(c1ccc(O)cc1[O-])N1CCc2cc[nH]c(=O)c2C1 ZINC000375983262 371065859 /nfs/dbraw/zinc/06/58/59/371065859.db2.gz CAHSUNNTELEWMY-UHFFFAOYSA-N -1 3 286.287 1.397 10 0 CDAEHM 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CDAEHM COc1nnc(NC(=O)c2ccc(C)c(NC(C)=O)c2)[n-]1 ZINC000179360036 372275790 /nfs/dbraw/zinc/27/57/90/372275790.db2.gz XSDIWWGWKPGERH-UHFFFAOYSA-N -1 3 289.295 1.332 10 0 CDAEHM COc1nc(NC(=O)c2ccc(C)c(NC(C)=O)c2)n[n-]1 ZINC000179360036 372275797 /nfs/dbraw/zinc/27/57/97/372275797.db2.gz XSDIWWGWKPGERH-UHFFFAOYSA-N -1 3 289.295 1.332 10 0 CDAEHM COc1n[n-]c(NC(=O)c2ccc(C)c(NC(C)=O)c2)n1 ZINC000179360036 372275803 /nfs/dbraw/zinc/27/58/03/372275803.db2.gz XSDIWWGWKPGERH-UHFFFAOYSA-N -1 3 289.295 1.332 10 0 CDAEHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](Nc3ncccn3)C2)c1 ZINC000578508670 372484921 /nfs/dbraw/zinc/48/49/21/372484921.db2.gz BHSZATLZNPYQMT-GFCCVEGCSA-N -1 3 298.346 1.817 10 0 CDAEHM O=C(c1cc([O-])ccc1F)N1CCOC[C@H]1[C@H]1CCCO1 ZINC000333118994 205047142 /nfs/dbraw/zinc/04/71/42/205047142.db2.gz UQPOXPYMVMFALA-UONOGXRCSA-N -1 3 295.310 1.551 10 0 CDAEHM Cc1nc(C)c(CCC(=O)N[C@@H]2CCCOC2)c(=O)[n-]1 ZINC000580900610 372737817 /nfs/dbraw/zinc/73/78/17/372737817.db2.gz YXNGSVZDBDZDQB-LLVKDONJSA-N 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CCC[C@@](C)(NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)[O-] ZINC000040482953 174286538 /nfs/dbraw/zinc/28/65/38/174286538.db2.gz VUURASNCHCMZAT-SWLSCSKDSA-N -1 3 294.351 1.022 10 0 CDAEHM CN(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1CCN(C)CC1 ZINC000040549514 174326564 /nfs/dbraw/zinc/32/65/64/174326564.db2.gz WDGUZDHGADOIFS-LLVKDONJSA-N -1 3 285.388 1.221 10 0 CDAEHM CC[C@H](C)[C@H](NC(=O)N(C)C1CCN(C)CC1)C(=O)[O-] ZINC000040549458 174326736 /nfs/dbraw/zinc/32/67/36/174326736.db2.gz LNFXBHCPSFDZQA-JQWIXIFHSA-N -1 3 285.388 1.221 10 0 CDAEHM CO[C@H]1CN[C@@H](C(=O)Nc2ccc(Cl)cc2C(=O)[O-])C1 ZINC000040636882 174361754 /nfs/dbraw/zinc/36/17/54/174361754.db2.gz MTCPAYJGZGPOJP-LDYMZIIASA-N -1 3 298.726 1.354 10 0 CDAEHM CCN1CCC[C@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000040691967 174377150 /nfs/dbraw/zinc/37/71/50/174377150.db2.gz OSDLLYDGXMODPU-NSHDSACASA-N -1 3 286.372 1.588 10 0 CDAEHM CC(C)C[C@H](N[C@@H]1COc2cc(O)ccc21)C(=O)[O-] ZINC000043432454 175043564 /nfs/dbraw/zinc/04/35/64/175043564.db2.gz 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270.373 1.334 10 0 CDAEHM O=C([O-])c1cnccc1N1CCO[C@@]2(CCCOC2)C1 ZINC000583265027 325140959 /nfs/dbraw/zinc/14/09/59/325140959.db2.gz CNYLKQPTCFVXEB-AWEZNQCLSA-N -1 3 278.308 1.166 10 0 CDAEHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(Cl)nc2)o1 ZINC000397957880 1159623395 /nfs/dbraw/zinc/62/33/95/1159623395.db2.gz STKNIYRNJSHIAM-UHFFFAOYSA-N -1 3 287.728 1.510 10 0 CDAEHM Cc1ccc(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)c([O-])c1 ZINC000683909977 482546034 /nfs/dbraw/zinc/54/60/34/482546034.db2.gz PKJOHERBTKWOIZ-AWEZNQCLSA-N -1 3 289.331 1.521 10 0 CDAEHM CCc1c(C(=O)NCc2ncccc2[O-])cnn1C ZINC000684351041 482768264 /nfs/dbraw/zinc/76/82/64/482768264.db2.gz OPTJCEDCUBRNAS-UHFFFAOYSA-N -1 3 260.297 1.013 10 0 CDAEHM COc1ccc(C(=O)N2CCCc3n[nH]cc3C2)c([O-])c1 ZINC000404716602 482835535 /nfs/dbraw/zinc/83/55/35/482835535.db2.gz HSOREGMGJVJBQM-UHFFFAOYSA-N -1 3 287.319 1.713 10 0 CDAEHM O=C([O-])CC1(CN2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000088256100 482922849 /nfs/dbraw/zinc/92/28/49/482922849.db2.gz 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/nfs/dbraw/zinc/15/96/69/483159669.db2.gz YALWKZUQNFOPTG-PSASIEDQSA-N -1 3 262.288 1.778 10 0 CDAEHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000682418036 483221263 /nfs/dbraw/zinc/22/12/63/483221263.db2.gz FOEJSDJPLAFYFR-DTWKUNHWSA-N -1 3 275.374 1.235 10 0 CDAEHM CCN1CCC[C@H]1CN(C)C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000164100437 483256977 /nfs/dbraw/zinc/25/69/77/483256977.db2.gz PTXKUXCYHVFCDS-RYUDHWBXSA-N -1 3 284.400 1.676 10 0 CDAEHM COc1ncc(C(=O)[N-]c2cnoc2)cc1Cl ZINC000671186024 483292003 /nfs/dbraw/zinc/29/20/03/483292003.db2.gz WMYVWILTJPIESR-UHFFFAOYSA-N -1 3 253.645 1.984 10 0 CDAEHM O=C(NCc1nnnn1-c1ccccc1)c1cccc([O-])c1 ZINC000679634454 483401286 /nfs/dbraw/zinc/40/12/86/483401286.db2.gz PCYMSYQFBWUXOX-UHFFFAOYSA-N -1 3 295.302 1.298 10 0 CDAEHM O=C(c1cccc([O-])c1)N1CC(Oc2ccncc2)C1 ZINC000679634604 483401637 /nfs/dbraw/zinc/40/16/37/483401637.db2.gz SPPDCHWXEXRVKH-UHFFFAOYSA-N -1 3 270.288 1.691 10 0 CDAEHM Cc1cc(C[N-]S(=O)(=O)c2nc(C)c(C)s2)n[nH]1 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CC(C)CN(CC(=O)[O-])Cc1ccc(C(N)=O)cc1F ZINC000062743350 519711631 /nfs/dbraw/zinc/71/16/31/519711631.db2.gz XCDJRJUPRMLQJO-UHFFFAOYSA-N -1 3 282.315 1.467 10 0 CDAEHM CC(C)[C@@H](CN(C)C)n1c(=O)[nH]c2cc(C(=O)[O-])ccc21 ZINC000049216860 519794178 /nfs/dbraw/zinc/79/41/78/519794178.db2.gz ILPMNJCDODCNTN-CYBMUJFWSA-N -1 3 291.351 1.787 10 0 CDAEHM CC(C)c1nncn1CCNC(=O)c1cccc([O-])c1 ZINC000182476108 519898255 /nfs/dbraw/zinc/89/82/55/519898255.db2.gz PHYXSDVDVYWMQQ-UHFFFAOYSA-N -1 3 274.324 1.537 10 0 CDAEHM CCO[C@@H](C(=O)Nc1nnc(OC)[n-]1)c1ccccc1 ZINC000183010957 520247779 /nfs/dbraw/zinc/24/77/79/520247779.db2.gz DGZRISDEUWMSTG-SNVBAGLBSA-N -1 3 276.296 1.530 10 0 CDAEHM CCO[C@@H](C(=O)Nc1n[n-]c(OC)n1)c1ccccc1 ZINC000183010957 520247785 /nfs/dbraw/zinc/24/77/85/520247785.db2.gz DGZRISDEUWMSTG-SNVBAGLBSA-N -1 3 276.296 1.530 10 0 CDAEHM CCO[C@@H](C(=O)Nc1nc(OC)n[n-]1)c1ccccc1 ZINC000183010957 520247791 /nfs/dbraw/zinc/24/77/91/520247791.db2.gz DGZRISDEUWMSTG-SNVBAGLBSA-N -1 3 276.296 1.530 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ZINC000911856832 629594522 /nfs/dbraw/zinc/59/45/22/629594522.db2.gz XVBSUFXJYUEBQO-SVTZGKHISA-N -1 3 298.346 1.930 10 0 CDAEHM Cc1ccc(C(=O)N2CCc3c(=O)[nH]n(C)c3C2)c([O-])c1 ZINC000913031417 630349568 /nfs/dbraw/zinc/34/95/68/630349568.db2.gz MHLUUTJEIBWTFM-UHFFFAOYSA-N -1 3 287.319 1.338 10 0 CDAEHM COc1cccc([O-])c1C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000913653396 630727706 /nfs/dbraw/zinc/72/77/06/630727706.db2.gz QUZRUDCLBNKUPM-NPKNSRMISA-N -1 3 289.331 1.554 10 0 CDAEHM O=C(Nc1ccn(CCF)n1)c1cnc(C2CC2)[n-]c1=O ZINC000913769128 630754435 /nfs/dbraw/zinc/75/44/35/630754435.db2.gz YDVONGDTIYHLLK-UHFFFAOYSA-N -1 3 291.286 1.478 10 0 CDAEHM CCOc1nnc(NC(=O)c2ccc(C(C)=O)c(C)c2)[n-]1 ZINC000913777293 630758057 /nfs/dbraw/zinc/75/80/57/630758057.db2.gz IIWLBZHRGSNORO-UHFFFAOYSA-N -1 3 288.307 1.967 10 0 CDAEHM CCOc1nc(NC(=O)c2ccc(C(C)=O)c(C)c2)n[n-]1 ZINC000913777293 630758061 /nfs/dbraw/zinc/75/80/61/630758061.db2.gz IIWLBZHRGSNORO-UHFFFAOYSA-N -1 3 288.307 1.967 10 0 CDAEHM CCOc1n[n-]c(NC(=O)c2ccc(C(C)=O)c(C)c2)n1 ZINC000913777293 630758067 /nfs/dbraw/zinc/75/80/67/630758067.db2.gz IIWLBZHRGSNORO-UHFFFAOYSA-N -1 3 288.307 1.967 10 0 CDAEHM COC(=O)C1CCC(S(=O)(=O)[N-][C@H](C)C(F)F)CC1 ZINC000919813675 632680874 /nfs/dbraw/zinc/68/08/74/632680874.db2.gz JZGNAMIPUUZXMQ-AFPNSQJFSA-N -1 3 299.339 1.291 10 0 CDAEHM CN1CCN(C(=O)c2ccc(F)c([O-])c2)CC1(C)C ZINC001625871078 1158826086 /nfs/dbraw/zinc/82/60/86/1158826086.db2.gz GUEASEWTKFVFTF-UHFFFAOYSA-N -1 3 266.316 1.698 10 0 CDAEHM CNc1cc(C(=O)NCc2ncccc2[O-])cc(Cl)n1 ZINC000792614651 1162327204 /nfs/dbraw/zinc/32/72/04/1162327204.db2.gz QXUYCWOBSKPESO-UHFFFAOYSA-N -1 3 292.726 1.807 10 0 CDAEHM CCn1c(C)cc(C(=O)COC(=O)c2cnn[n-]2)c1C ZINC000805608097 1162586326 /nfs/dbraw/zinc/58/63/26/1162586326.db2.gz YBMLALMIFYBRRA-UHFFFAOYSA-N -1 3 276.296 1.283 10 0 CDAEHM CCn1c(C)cc(C(=O)COC(=O)c2c[n-]nn2)c1C ZINC000805608097 1162586331 /nfs/dbraw/zinc/58/63/31/1162586331.db2.gz YBMLALMIFYBRRA-UHFFFAOYSA-N -1 3 276.296 1.283 10 0 CDAEHM CCc1cc([N-]C(=O)c2cnc(C3OCCO3)s2)no1 ZINC000806906533 1162717570 /nfs/dbraw/zinc/71/75/70/1162717570.db2.gz SFSNGOQVLYDGIF-UHFFFAOYSA-N -1 3 295.320 1.991 10 0 CDAEHM Cc1ccc(F)cc1CN1CC[C@@](O)(C(=O)[O-])C1 ZINC000706435573 1161525542 /nfs/dbraw/zinc/52/55/42/1161525542.db2.gz NKPAWOVULBWDHR-ZDUSSCGKSA-N -1 3 253.273 1.156 10 0 CDAEHM O=C(C[C@@H](O)Cc1ccccc1)[N-]OCCC(F)(F)F ZINC000813527517 1163904783 /nfs/dbraw/zinc/90/47/83/1163904783.db2.gz OWYYXARXWBZGQV-NSHDSACASA-N -1 3 291.269 1.980 10 0 CDAEHM CCO[C@@]1(C)C[C@H]1N/C=C1\C(=O)[N-]C(=O)c2ccccc21 ZINC000864349637 1164531113 /nfs/dbraw/zinc/53/11/13/1164531113.db2.gz QVQNZTUBOSFZJU-JFJOFKMZSA-N -1 3 286.331 1.455 10 0 CDAEHM CSc1nc(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)n[n-]1 ZINC000865060606 1164607571 /nfs/dbraw/zinc/60/75/71/1164607571.db2.gz RIGSPGOQARZZKL-RULNZFCNSA-N -1 3 252.343 1.757 10 0 CDAEHM COC(=O)Cc1nc(NC(=O)[C@@]23C[C@@H]2CCCC3)n[n-]1 ZINC000865916618 1164708933 /nfs/dbraw/zinc/70/89/33/1164708933.db2.gz 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/nfs/dbraw/zinc/48/13/51/1166481351.db2.gz URQBBXZTIVQUDQ-NSHDSACASA-N -1 3 292.335 1.159 10 0 CDAEHM Cn1cc(CCNC(=O)c2cc(=O)[n-]cn2)c2cccnc21 ZINC001635926160 1166633331 /nfs/dbraw/zinc/63/33/31/1166633331.db2.gz MSHFUTQZRFTVLQ-UHFFFAOYSA-N -1 3 297.318 1.041 10 0 CDAEHM Cc1nn(CC(=O)Nc2c([O-])cccc2Cl)c(=O)o1 ZINC001636560676 1166683283 /nfs/dbraw/zinc/68/32/83/1166683283.db2.gz MZABNOPXLODZHH-UHFFFAOYSA-N -1 3 283.671 1.142 10 0 CDAEHM CC(=O)c1cccc(NC(=O)c2cn[nH]c(=O)c2)c1[O-] ZINC001638113504 1166819458 /nfs/dbraw/zinc/81/94/58/1166819458.db2.gz NFYARSYGSKJVGB-UHFFFAOYSA-N -1 3 273.248 1.343 10 0 CDAEHM O=C(NC/C=C/CO)c1c[n-]c2c(Cl)cccc2c1=O ZINC001640172263 1167001892 /nfs/dbraw/zinc/00/18/92/1167001892.db2.gz PVRGGADTEAPDBV-OWOJBTEDSA-N -1 3 292.722 1.460 10 0 CDAEHM Cc1nccnc1[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001644901752 1167354562 /nfs/dbraw/zinc/35/45/62/1167354562.db2.gz NMYGCTUTXMYHKN-VIFPVBQESA-N -1 3 282.307 1.547 10 0 CDAEHM CO[C@@H]1CC[C@H](C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001645944061 1167579813 /nfs/dbraw/zinc/57/98/13/1167579813.db2.gz TUTQDAYSIMUJLY-CMPLNLGQSA-N -1 3 292.335 1.918 10 0 CDAEHM CCC(C)=CC(=O)NCc1nc(CNCCF)cc(=O)[n-]1 ZINC001565989897 1168208684 /nfs/dbraw/zinc/20/86/84/1168208684.db2.gz ZZKOLIUMUORNOS-POHAHGRESA-N -1 3 296.346 1.214 10 0 CDAEHM Cc1conc1C[S@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001647340597 1168591093 /nfs/dbraw/zinc/59/10/93/1168591093.db2.gz CARUMEUHQKEROL-HXUWFJFHSA-N -1 3 293.348 1.805 10 0 CDAEHM O=C(NC/C=C/CNC(=O)C1CC1)c1ccccc1[O-] ZINC001721771864 1178992294 /nfs/dbraw/zinc/99/22/94/1178992294.db2.gz ZBXWYEXRFAWKMH-ONEGZZNKSA-N -1 3 274.320 1.204 10 0 CDAEHM CCCCCCN1CC(NC(=O)c2cnc[n-]c2=O)C1 ZINC001714941038 1179468451 /nfs/dbraw/zinc/46/84/51/1179468451.db2.gz ZTKIAPOZXNLYPY-UHFFFAOYSA-N -1 3 278.356 1.177 10 0 CDAEHM CC/C=C(\C)C(=O)NCCC[C@H](C)NC(=O)c1cn[n-]n1 ZINC001718419584 1181034032 /nfs/dbraw/zinc/03/40/32/1181034032.db2.gz PLVFHZRNIBPRQM-RUYJGKKWSA-N -1 3 293.371 1.176 10 0 CDAEHM CCCC(=O)NC/C=C/CNC(=O)c1ccccc1[O-] ZINC001721776279 1181402391 /nfs/dbraw/zinc/40/23/91/1181402391.db2.gz NQFRLMRCYDKBJY-AATRIKPKSA-N -1 3 276.336 1.595 10 0 CDAEHM CCC[C@@H](CC)C(=O)NCC=CCNC(=O)c1cn[n-]n1 ZINC001738541762 1184325162 /nfs/dbraw/zinc/32/51/62/1184325162.db2.gz WMBIZLCAPXFPOU-MVIFTORASA-N -1 3 293.371 1.033 10 0 CDAEHM Cn1nncc1CNCc1cccc([O-])c1Br ZINC000315201371 1186739244 /nfs/dbraw/zinc/73/92/44/1186739244.db2.gz DJHTZQGOCOSLLF-UHFFFAOYSA-N -1 3 297.156 1.573 10 0 CDAEHM COCC[C@@H](NC(=O)c1cc(=O)[n-]cn1)c1cccnc1 ZINC001772462957 1187244604 /nfs/dbraw/zinc/24/46/04/1187244604.db2.gz SYHDAUOFCLGEJS-LLVKDONJSA-N -1 3 288.307 1.085 10 0 CDAEHM